data_1vnd_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 1vnd _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 ' 17' ' ' THR . . . . . . . . . . . . 0.275 7.5 m . . . . . 0 N--CA 1.467 0.421 0 N-CA-C 111.418 0.155 . . . . 1.3100000000000001 111.418 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.7 pttp -75.89 -10.37 59.37 Favored 'General case' 0 C--N 1.369 1.441 0 N-CA-C 117.758 2.503 . . . . 3.73 117.758 -157.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -83.24 -41.05 18.81 Favored 'General case' 0 C--N 1.362 1.15 0 C-N-CA 125.62 1.568 . . . . 1.1299999999999999 111.999 167.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 57.7 mm-40 -75.77 -44.31 42.15 Favored 'General case' 0 C--N 1.368 1.39 0 C-N-CA 128.422 2.689 . . . . 0.85999999999999999 111.445 -173.036 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 61.6 p -73.03 -26.59 61.36 Favored 'General case' 0 C--N 1.369 1.417 0 C-N-CA 127.637 2.375 . . . . 1.1200000000000001 112.509 179.01 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 53.0 t80 -67.58 -52.68 35.66 Favored 'General case' 0 C--N 1.371 1.507 0 C-N-CA 127.825 2.45 . . . . 1.22 112.316 176.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -71.9 -35.19 69.63 Favored 'General case' 0 C--N 1.363 1.163 0 N-CA-C 115.469 1.655 . . . . 1.3100000000000001 115.469 -177.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 93.9 mt -72.18 -40.96 67.55 Favored 'General case' 0 C--N 1.359 0.998 0 C-N-CA 126.035 1.734 . . . . 1.0900000000000001 114.962 178.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -71.4 -30.98 66.73 Favored 'General case' 0 C--N 1.361 1.088 0 C-N-CA 125.598 1.559 . . . . 1.6599999999999999 115.135 172.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.1 ptm180 -78.64 -26.94 45.26 Favored 'General case' 0 C--N 1.371 1.511 0 N-CA-C 114.735 1.384 . . . . 2.54 114.735 -178.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 39.8 mmm-85 -79.02 -27.09 43.21 Favored 'General case' 0 C--N 1.368 1.399 0 C-N-CA 124.038 0.935 . . . . 2.54 112.939 163.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -73.86 -17.81 61.01 Favored 'General case' 0 C--N 1.369 1.45 0 CA-C-N 120.535 1.516 . . . . 0.82999999999999996 114.301 177.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 39.0 mmt-85 -83.8 -46.18 12.49 Favored 'General case' 0 C--N 1.365 1.28 0 C-N-CA 125.961 1.704 . . . . 4.5700000000000003 112.676 174.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 68.2 tp60 -90.94 -23.99 20.29 Favored 'General case' 0 C--N 1.367 1.362 0 C-N-CA 127.474 2.309 . . . . 2.5299999999999998 113.102 -174.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -126.47 170.74 11.67 Favored 'General case' 0 C--N 1.365 1.272 0 C-N-CA 125.07 1.348 . . . . 2.04 108.162 -177.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 62.8 mtt85 -107.12 -41.48 5.14 Favored 'General case' 0 C--N 1.361 1.07 0 C-N-CA 126.836 2.054 . . . . 4.25 110.381 165.084 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 33.6 p90 -144.52 152.37 40.49 Favored 'General case' 0 C--N 1.36 1.025 0 C-N-CA 127.157 2.183 . . . . 5.9000000000000004 106.337 -161.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -150.36 120.93 7.45 Favored 'General case' 0 N--CA 1.441 -0.875 0 N-CA-C 104.212 -2.514 . . . . 1.28 104.212 -174.335 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.6 p -84.35 162.93 19.86 Favored 'General case' 0 C--N 1.372 1.571 0 C-N-CA 127.886 2.474 . . . . 2.04 111.234 -173.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.26 -36.98 31.08 Favored Pre-proline 0 C--N 1.367 1.353 0 N-CA-C 120.466 3.506 . . . . 1.23 120.466 -170.306 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -67.51 -29.19 37.58 Favored 'Trans proline' 0 C--N 1.36 1.142 0 C-N-CA 124.082 3.188 . . . . 1.3899999999999999 114.669 175.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.265 0.9 OUTLIER -104.45 -17.1 14.88 Favored 'General case' 0 C--N 1.361 1.091 0 C-N-CA 126.681 1.992 . . . . 1.72 114.974 178.611 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 56.0 ttp85 -82.96 -37.43 24.1 Favored 'General case' 0 C--N 1.376 1.727 0 C-N-CA 126.26 1.824 . . . . 3.04 112.164 178.097 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -77.96 -20.86 51.92 Favored 'General case' 0 C--N 1.367 1.34 0 C-N-CA 126.943 2.097 . . . . 1.8600000000000001 112.351 177.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 34.9 t-80 -81.2 -28.89 34.73 Favored 'General case' 0 C--N 1.364 1.233 0 C-N-CA 128.374 2.669 . . . . 2.0099999999999998 111.486 175.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -75.23 -30.59 60.59 Favored 'General case' 0 C--N 1.369 1.449 0 C-N-CA 128.444 2.698 . . . . 1.1899999999999999 112.354 172.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.63 -27.2 34.26 Favored 'General case' 0 C--N 1.364 1.239 0 C-N-CA 127.67 2.388 . . . . 1.0700000000000001 112.939 177.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 69.0 m -85.06 -26.15 27.16 Favored 'General case' 0 C--N 1.362 1.125 0 C-N-CA 126.215 1.806 . . . . 1.03 113.075 173.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 48.3 tp -75.33 -37.67 60.61 Favored 'General case' 0 C--N 1.362 1.148 0 C-N-CA 127.327 2.251 . . . . 2.3500000000000001 112.434 176.127 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.0 pt -103.86 -21.49 5.25 Favored 'Isoleucine or valine' 0 C--N 1.366 1.311 0 C-N-CA 123.861 0.864 . . . . 1.0900000000000001 112.27 -173.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 8.5 tpp180 83.69 68.72 0.02 OUTLIER 'General case' 0 C--N 1.371 1.505 0 C-N-CA 129.082 2.953 . . . . 3.6099999999999999 113.812 175.225 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 77.2 mt -139.83 -172.52 3.41 Favored 'General case' 0 C--N 1.36 1.044 0 N-CA-C 107.844 -1.169 . . . . 1.1799999999999999 107.844 171.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 66.8 p -94.6 149.54 36.66 Favored Pre-proline 0 C--N 1.371 1.515 0 C-N-CA 127.59 2.356 . . . . 1.4099999999999999 108.712 179.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_exo -58.16 -24.63 67.69 Favored 'Trans proline' 0 C--N 1.362 1.252 1 C-N-CA 126.45 4.767 . . . . 1.0600000000000001 117.123 171.099 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.3 t -89.06 -28.44 20.13 Favored 'General case' 0 C--N 1.365 1.255 0 C-N-CA 125.024 1.33 . . . . 1.1299999999999999 111.546 -174.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -82.55 -31.62 29.02 Favored 'General case' 0 C--N 1.371 1.533 0 C-N-CA 124.274 1.03 . . . . 1.04 112.438 178.191 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 10.7 p -69.22 -43.12 81.65 Favored 'Isoleucine or valine' 0 C--N 1.378 1.834 0 C-N-CA 125.128 1.371 . . . . 1.0900000000000001 113.295 171.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.58 -46.32 89.27 Favored 'General case' 0 C--N 1.374 1.673 0 C-N-CA 126.848 2.059 . . . . 1.74 115.078 175.668 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.287 8.2 mt -84.41 -6.46 10.31 Favored 'Isoleucine or valine' 0 C--N 1.369 1.421 0 N-CA-C 114.407 1.262 . . . . 1.3200000000000001 114.407 176.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 31.9 t90 -71.77 -43.09 66.33 Favored 'General case' 0 C--N 1.381 1.937 0 CA-C-N 120.335 1.425 . . . . 0.34000000000000002 111.421 165.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -79.32 -16.07 56.92 Favored 'General case' 0 C--N 1.372 1.553 0 C-N-CA 125.276 1.431 . . . . 0.46000000000000002 113.648 178.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -76.27 -38.81 55.7 Favored 'General case' 0 C--N 1.363 1.161 0 C-N-CA 127.215 2.206 . . . . 1.3400000000000001 112.865 170.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 55.0 m-20 -87.65 -19.79 27.23 Favored 'General case' 0 C--N 1.365 1.28 0 C-N-CA 126.262 1.825 . . . . 0.85999999999999999 113.001 -173.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 8.5 m80 . . . . . 0 C--N 1.365 1.265 0 C-N-CA 126.554 1.942 . . . . 2.3900000000000001 114.672 178.283 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.7 m . . . . . 0 C--O 1.232 0.184 0 N-CA-C 107.633 -1.247 . . . . 1.3100000000000001 107.633 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 65.2 mttt -85.08 4.89 31.96 Favored 'General case' 0 C--N 1.367 1.343 0 C-N-CA 127.278 2.231 . . . . 3.73 113.875 -172.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -83.92 -37.51 22.25 Favored 'General case' 0 C--N 1.363 1.192 0 C-N-CA 126.689 1.996 . . . . 1.1299999999999999 112.526 165.024 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 45.7 mm-40 -77.21 -51.9 10.15 Favored 'General case' 0 C--N 1.368 1.371 0 C-N-CA 129.033 2.933 . . . . 0.85999999999999999 111.792 -170.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 72.5 p -65.11 -38.32 90.32 Favored 'General case' 0 C--N 1.371 1.528 0 C-N-CA 127.506 2.322 . . . . 1.1200000000000001 113.093 178.081 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 48.9 t80 -58.73 -57.3 13.63 Favored 'General case' 0 C--N 1.37 1.488 0 C-N-CA 129.013 2.925 . . . . 1.22 112.815 177.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -67.46 -36.74 81.76 Favored 'General case' 0 C--N 1.367 1.348 0 C-N-CA 126.598 1.959 . . . . 1.3100000000000001 115.169 -175.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 98.5 mt -66.93 -37.46 84.36 Favored 'General case' 0 C--N 1.364 1.239 0 C-N-CA 126.369 1.868 . . . . 1.0900000000000001 115.664 176.355 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -76.51 -28.58 56.45 Favored 'General case' 0 C--N 1.361 1.097 0 C-N-CA 126.488 1.915 . . . . 1.6599999999999999 114.516 176.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 11.0 mtm180 -69.6 -45.05 69.48 Favored 'General case' 0 C--N 1.377 1.77 0 C-N-CA 124.638 1.175 . . . . 2.54 112.442 176.495 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.296 43.4 mmm-85 -70.39 -30.16 66.99 Favored 'General case' 0 C--N 1.38 1.926 0 CA-C-N 115.448 -0.796 . . . . 2.54 112.063 -179.35 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 34.8 t80 -68.68 -35.53 77.34 Favored 'General case' 0 C--N 1.375 1.674 0 C-N-CA 127.879 2.472 . . . . 0.82999999999999996 113.82 -178.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 11.4 mmm-85 -76.09 -23.05 54.94 Favored 'General case' 0 C--N 1.365 1.279 0 C-N-CA 125.387 1.475 . . . . 4.5700000000000003 114.961 177.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -93.62 -27.18 16.73 Favored 'General case' 0 N--CA 1.434 -1.268 0 C-N-CA 128.383 2.673 . . . . 2.5299999999999998 112.443 179.072 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -171.25 152.7 3.44 Favored 'General case' 0 C--N 1.367 1.349 0 N-CA-C 106.61 -1.626 . . . . 2.04 106.61 -168.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 90.3 mtt-85 -105.06 -34.07 8.09 Favored 'General case' 0 C--N 1.36 1.046 0 C-N-CA 124.6 1.16 . . . . 4.25 110.206 -179.243 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -113.99 137.1 52.15 Favored 'General case' 0 C--N 1.358 0.936 0 C-N-CA 126.189 1.796 . . . . 5.9000000000000004 108.443 178.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -146.98 120.98 9.37 Favored 'General case' 0 CA--C 1.5 -0.944 0 N-CA-C 102.656 -3.09 . . . . 1.28 102.656 -175.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 28.4 p -92.4 166.4 12.58 Favored 'General case' 0 C--N 1.365 1.262 0 C-N-CA 127.278 2.231 . . . . 2.04 109.647 -170.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -46.78 -35.6 5.5 Favored Pre-proline 0 C--N 1.366 1.309 0 N-CA-C 120.761 3.615 . . . . 1.23 120.761 -171.035 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_exo -67.25 -31.46 35.57 Favored 'Trans proline' 0 C--N 1.36 1.154 0 C-N-CA 124.337 3.358 . . . . 1.3899999999999999 115.186 173.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -103.49 -20.04 14.18 Favored 'General case' 0 C--N 1.362 1.137 0 C-N-CA 126.395 1.878 . . . . 1.72 114.798 177.027 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 43.0 ttp180 -81.0 -42.54 20.99 Favored 'General case' 0 C--N 1.373 1.59 0 C-N-CA 126.452 1.901 . . . . 3.04 111.711 -179.014 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -80.23 -21.21 43.09 Favored 'General case' 0 C--N 1.369 1.42 0 C-N-CA 126.78 2.032 . . . . 1.8600000000000001 112.065 -178.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 44.7 t-80 -80.85 -28.01 36.24 Favored 'General case' 0 C--N 1.367 1.367 0 C-N-CA 127.935 2.494 . . . . 2.0099999999999998 111.636 175.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -74.68 -30.44 61.58 Favored 'General case' 0 C--N 1.37 1.457 0 C-N-CA 128.258 2.623 . . . . 1.1899999999999999 112.321 172.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -80.55 -27.52 37.53 Favored 'General case' 0 C--N 1.365 1.267 0 C-N-CA 127.871 2.468 . . . . 1.0700000000000001 113.064 176.116 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 70.7 m -85.14 -26.01 27.11 Favored 'General case' 0 C--N 1.361 1.071 0 C-N-CA 126.235 1.814 . . . . 1.03 113.208 174.166 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -75.37 -39.33 59.35 Favored 'General case' 0 C--N 1.362 1.136 0 C-N-CA 127.699 2.4 . . . . 2.3500000000000001 111.98 176.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.6 pt -103.06 -20.11 5.83 Favored 'Isoleucine or valine' 0 C--N 1.365 1.268 0 C-N-CA 123.666 0.787 . . . . 1.0900000000000001 112.339 -173.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 8.2 tpp180 84.66 68.5 0.01 OUTLIER 'General case' 0 C--N 1.371 1.542 0 C-N-CA 129.136 2.975 . . . . 3.6099999999999999 113.82 174.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 84.1 mt -138.16 -171.47 3.04 Favored 'General case' 0 C--N 1.36 1.028 0 N-CA-C 108.56 -0.904 . . . . 1.1799999999999999 108.56 173.017 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 69.5 p -95.57 146.5 31.42 Favored Pre-proline 0 C--N 1.369 1.452 0 C-N-CA 127.58 2.352 . . . . 1.4099999999999999 108.72 177.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_exo -59.01 -21.16 57.22 Favored 'Trans proline' 0 C--N 1.364 1.377 1 C-N-CA 126.476 4.784 . . . . 1.0600000000000001 117.158 171.43 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.8 t -86.55 -31.02 21.47 Favored 'General case' 0 C--N 1.365 1.276 0 C-N-CA 126.407 1.883 . . . . 1.1299999999999999 111.094 -176.564 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -84.47 -31.13 24.71 Favored 'General case' 0 C--N 1.369 1.436 0 CA-C-N 119.63 1.104 . . . . 1.04 112.906 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.6 p -68.62 -38.41 79.0 Favored 'Isoleucine or valine' 0 C--N 1.379 1.867 0 C-N-CA 124.653 1.181 . . . . 1.0900000000000001 112.181 169.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.3 mmmt -55.92 -46.72 78.37 Favored 'General case' 0 C--N 1.371 1.525 0 N-CA-C 116.5 2.037 . . . . 1.74 116.5 170.376 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.252 3.2 mt -85.69 -9.05 11.26 Favored 'Isoleucine or valine' 0 C--N 1.371 1.507 0 N-CA-C 115.264 1.579 . . . . 1.3200000000000001 115.264 178.572 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 30.1 t90 -74.85 -41.28 60.15 Favored 'General case' 0 C--N 1.378 1.843 0 CA-C-N 120.134 1.333 . . . . 0.34000000000000002 110.691 169.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -85.23 -17.24 37.64 Favored 'General case' 0 C--N 1.366 1.3 0 C-N-CA 126.272 1.829 . . . . 0.46000000000000002 114.316 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -85.08 -25.83 27.34 Favored 'General case' 0 C--N 1.364 1.209 0 C-N-CA 125.388 1.475 . . . . 1.3400000000000001 112.102 177.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 48.4 m-20 -87.24 -41.3 13.81 Favored 'General case' 0 C--N 1.368 1.411 0 C-N-CA 125.647 1.579 . . . . 0.85999999999999999 113.674 177.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 2.0 m80 . . . . . 0 C--N 1.363 1.188 0 N-CA-C 118.116 2.635 . . . . 2.3900000000000001 118.116 -170.814 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 13.8 m . . . . . 0 CA--C 1.519 -0.241 0 N-CA-C 109.653 -0.499 . . . . 1.3100000000000001 109.653 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.8 pttm -75.57 -6.7 51.61 Favored 'General case' 0 C--N 1.369 1.451 0 N-CA-C 117.218 2.303 . . . . 3.73 117.218 -163.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.6 -44.05 13.87 Favored 'General case' 0 C--N 1.362 1.145 0 C-N-CA 125.99 1.716 . . . . 1.1299999999999999 111.868 167.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 46.5 mm-40 -78.56 -38.21 40.86 Favored 'General case' 0 C--N 1.368 1.392 0 C-N-CA 127.723 2.409 . . . . 0.85999999999999999 111.508 -171.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 70.8 p -74.93 -29.62 61.0 Favored 'General case' 0 C--N 1.371 1.524 0 C-N-CA 127.185 2.194 . . . . 1.1200000000000001 112.199 178.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 52.6 t80 -65.88 -51.12 61.45 Favored 'General case' 0 C--N 1.37 1.483 0 C-N-CA 128.265 2.626 . . . . 1.22 112.251 176.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -73.24 -34.93 66.13 Favored 'General case' 0 C--N 1.36 1.061 0 N-CA-C 115.408 1.633 . . . . 1.3100000000000001 115.408 -177.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 93.8 mt -70.5 -41.64 72.37 Favored 'General case' 0 C--N 1.363 1.195 0 C-N-CA 126.028 1.731 . . . . 1.0900000000000001 114.923 177.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -71.19 -31.02 67.13 Favored 'General case' 0 C--N 1.362 1.148 0 C-N-CA 126.032 1.733 . . . . 1.6599999999999999 115.259 173.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.1 ptm180 -80.07 -24.7 40.45 Favored 'General case' 0 C--N 1.37 1.488 0 N-CA-C 115.128 1.529 . . . . 2.54 115.128 -179.156 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.275 36.3 mmm-85 -75.6 -31.71 60.03 Favored 'General case' 0 C--N 1.371 1.524 0 C-N-CA 123.6 0.76 . . . . 2.54 112.07 163.706 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -68.84 -35.14 76.59 Favored 'General case' 0 C--N 1.375 1.682 0 C-N-CA 127.04 2.136 . . . . 0.82999999999999996 113.736 -173.166 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 31.8 mmt-85 -83.68 -14.94 50.59 Favored 'General case' 0 C--N 1.363 1.192 0 N-CA-C 113.854 1.057 . . . . 4.5700000000000003 113.854 179.143 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 64.2 tp60 -92.61 -27.2 17.48 Favored 'General case' 0 C--N 1.367 1.342 0 C-N-CA 127.686 2.394 . . . . 2.5299999999999998 112.292 174.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -171.1 151.65 3.28 Favored 'General case' 0 C--N 1.367 1.328 0 N-CA-C 105.425 -2.065 . . . . 2.04 105.425 -170.113 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.7 mmt85 -105.09 -33.02 8.43 Favored 'General case' 0 C--N 1.359 0.983 0 O-C-N 120.903 -1.123 . . . . 4.25 108.938 -177.261 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 37.7 p90 -114.34 141.28 47.82 Favored 'General case' 0 C--N 1.356 0.869 0 C-N-CA 126.765 2.026 . . . . 5.9000000000000004 107.912 179.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -151.25 121.64 7.33 Favored 'General case' 0 CA--C 1.499 -1.017 0 N-CA-C 102.735 -3.061 . . . . 1.28 102.735 -173.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 28.3 p -89.43 168.37 12.26 Favored 'General case' 0 C--N 1.366 1.304 0 C-N-CA 127.393 2.277 . . . . 2.04 109.771 -170.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.28 -35.54 15.58 Favored Pre-proline 0 C--N 1.366 1.316 0 N-CA-C 120.255 3.428 . . . . 1.23 120.255 -172.243 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -67.82 -29.3 35.4 Favored 'Trans proline' 0 C--N 1.36 1.157 0 C-N-CA 124.238 3.292 . . . . 1.3899999999999999 115.171 173.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -102.03 -22.09 14.34 Favored 'General case' 0 C--N 1.362 1.137 0 C-N-CA 126.771 2.028 . . . . 1.72 114.587 177.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 36.0 ttm180 -79.19 -42.44 26.06 Favored 'General case' 0 C--N 1.373 1.603 0 C-N-CA 127.139 2.176 . . . . 3.04 111.446 -178.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -80.32 -21.34 42.65 Favored 'General case' 0 C--N 1.368 1.403 0 C-N-CA 127.012 2.125 . . . . 1.8600000000000001 112.188 -178.025 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 47.5 t-80 -81.05 -27.8 35.61 Favored 'General case' 0 C--N 1.366 1.303 0 C-N-CA 128.076 2.55 . . . . 2.0099999999999998 111.536 176.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -74.55 -33.14 62.66 Favored 'General case' 0 C--N 1.367 1.358 0 C-N-CA 128.306 2.642 . . . . 1.1899999999999999 112.408 172.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -80.01 -26.78 39.7 Favored 'General case' 0 C--N 1.365 1.268 0 C-N-CA 128.052 2.541 . . . . 1.0700000000000001 113.226 178.014 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 69.5 m -85.13 -26.91 26.57 Favored 'General case' 0 C--N 1.361 1.067 0 C-N-CA 126.011 1.724 . . . . 1.03 112.956 174.011 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 48.8 tp -74.38 -38.4 63.16 Favored 'General case' 0 C--N 1.363 1.169 0 C-N-CA 127.6 2.36 . . . . 2.3500000000000001 112.702 176.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.0 pt -105.13 -18.11 7.11 Favored 'Isoleucine or valine' 0 C--N 1.366 1.288 0 C-N-CA 123.886 0.874 . . . . 1.0900000000000001 112.445 -174.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 24.0 tpt180 85.0 67.87 0.01 OUTLIER 'General case' 0 C--N 1.37 1.482 0 C-N-CA 129.008 2.923 . . . . 3.6099999999999999 114.167 173.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 84.1 mt -137.86 -172.31 3.22 Favored 'General case' 0 C--N 1.36 1.033 0 C-N-CA 123.817 0.847 . . . . 1.1799999999999999 108.82 173.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.446 HG23 ' H ' ' A' ' 51' ' ' THR . 71.4 p -94.72 146.87 32.2 Favored Pre-proline 0 C--N 1.368 1.403 0 C-N-CA 127.164 2.186 . . . . 1.4099999999999999 109.219 176.581 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_exo -57.92 -23.54 60.17 Favored 'Trans proline' 0 C--N 1.364 1.358 1 C-N-CA 126.829 5.019 . . . . 1.0600000000000001 117.332 170.431 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.446 ' H ' HG23 ' A' ' 49' ' ' THR . 14.2 t -85.63 -33.14 21.7 Favored 'General case' 0 C--N 1.364 1.235 0 C-N-CA 126.58 1.952 . . . . 1.1299999999999999 110.837 -175.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -81.81 -31.33 31.79 Favored 'General case' 0 C--N 1.369 1.421 0 CA-C-N 119.566 1.075 . . . . 1.04 112.781 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.2 p -69.25 -38.68 78.08 Favored 'Isoleucine or valine' 0 C--N 1.381 1.941 0 C-N-CA 124.97 1.308 . . . . 1.0900000000000001 112.192 171.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.0 tppt? -57.32 -44.08 83.9 Favored 'General case' 0 C--N 1.37 1.47 0 C-N-CA 127.993 2.517 . . . . 1.74 114.567 171.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.279 1.9 mt -86.46 -8.55 11.1 Favored 'Isoleucine or valine' 0 C--N 1.369 1.437 0 N-CA-C 115.732 1.753 . . . . 1.3200000000000001 115.732 177.68 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 38.4 t90 -74.5 -41.68 60.27 Favored 'General case' 0 C--N 1.378 1.823 0 CA-C-N 120.0 1.273 . . . . 0.34000000000000002 110.928 168.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -85.19 -10.0 57.15 Favored 'General case' 0 C--N 1.365 1.276 0 C-N-CA 126.731 2.012 . . . . 0.46000000000000002 113.69 178.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -77.66 -41.38 38.47 Favored 'General case' 0 C--N 1.363 1.162 0 C-N-CA 125.899 1.679 . . . . 1.3400000000000001 112.194 171.075 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 -91.21 -22.12 20.78 Favored 'General case' 0 C--N 1.366 1.29 0 C-N-CA 125.48 1.512 . . . . 0.85999999999999999 114.106 -171.482 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 6.9 m80 . . . . . 0 C--N 1.364 1.226 0 N-CA-C 115.557 1.688 . . . . 2.3900000000000001 115.557 -177.644 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 26.6 m . . . . . 0 CA--C 1.518 -0.258 0 N-CA-C 108.78 -0.822 . . . . 1.3100000000000001 108.78 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 69.4 mttt -85.02 12.25 7.99 Favored 'General case' 0 C--N 1.372 1.563 0 C-N-CA 126.869 2.068 . . . . 3.73 114.445 -172.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.41 -48.81 8.65 Favored 'General case' 0 C--N 1.361 1.099 0 C-N-CA 126.774 2.029 . . . . 1.1299999999999999 111.664 157.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 53.4 mm-40 -73.45 -45.66 52.98 Favored 'General case' 0 C--N 1.37 1.475 0 C-N-CA 128.802 2.841 . . . . 0.85999999999999999 112.903 -173.256 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 58.5 p -73.31 -28.14 61.92 Favored 'General case' 0 C--N 1.367 1.359 0 C-N-CA 127.489 2.315 . . . . 1.1200000000000001 112.13 179.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 34.1 t80 -66.33 -50.21 64.38 Favored 'General case' 0 C--N 1.37 1.473 0 C-N-CA 127.563 2.345 . . . . 1.22 112.522 176.192 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -74.2 -34.19 63.64 Favored 'General case' 0 C--N 1.363 1.178 0 N-CA-C 115.469 1.655 . . . . 1.3100000000000001 115.469 -177.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 92.4 mt -70.17 -43.56 70.59 Favored 'General case' 0 C--N 1.364 1.209 0 C-N-CA 126.034 1.733 . . . . 1.0900000000000001 114.726 177.434 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -69.31 -33.98 73.98 Favored 'General case' 0 C--N 1.363 1.179 0 C-N-CA 126.506 1.922 . . . . 1.6599999999999999 114.421 174.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.5 ptm180 -80.31 -27.38 38.46 Favored 'General case' 0 C--N 1.373 1.606 0 N-CA-C 115.837 1.791 . . . . 2.54 115.837 -177.277 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.284 36.6 mmm-85 -74.67 -31.51 61.94 Favored 'General case' 0 C--N 1.371 1.53 0 C-N-CA 123.929 0.892 . . . . 2.54 111.747 167.615 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -68.12 -39.98 82.62 Favored 'General case' 0 C--N 1.378 1.808 0 C-N-CA 126.865 2.066 . . . . 0.82999999999999996 113.671 -175.421 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.8 mmm-85 -71.9 -20.86 61.72 Favored 'General case' 0 C--N 1.366 1.306 0 C-N-CA 126.079 1.752 . . . . 4.5700000000000003 115.26 178.024 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 85.4 mm-40 -98.07 -33.43 11.17 Favored 'General case' 0 C--N 1.359 1.022 0 C-N-CA 126.018 1.727 . . . . 2.5299999999999998 112.917 177.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -162.53 150.39 14.07 Favored 'General case' 0 C--N 1.368 1.396 0 CA-C-N 120.345 1.43 . . . . 2.04 108.636 -172.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 72.2 mmt-85 -105.36 -34.42 7.85 Favored 'General case' 0 C--N 1.36 1.035 0 C-N-CA 126.187 1.795 . . . . 4.25 112.356 -175.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -86.3 -16.91 36.04 Favored 'General case' 0 C--N 1.359 1.02 0 C-N-CA 129.18 2.992 . . . . 5.9000000000000004 116.005 -150.37 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . 0.359 0.0 OUTLIER -33.67 109.1 0.07 Allowed 'General case' 0 N--CA 1.496 1.849 1 C-N-CA 133.537 4.735 . . . . 1.28 115.614 -165.839 . . . . . . . . 4 3 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 30.7 p -100.32 170.85 8.15 Favored 'General case' 0 C--N 1.361 1.108 0 C-N-CA 128.515 2.726 . . . . 2.04 108.426 -169.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -42.6 -36.9 1.62 Allowed Pre-proline 0 C--N 1.367 1.343 0 N-CA-C 121.496 3.887 . . . . 1.23 121.496 -170.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_exo -66.9 -31.93 37.06 Favored 'Trans proline' 0 C--N 1.359 1.082 0 C-N-CA 124.256 3.304 . . . . 1.3899999999999999 115.122 174.061 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -103.72 -22.82 13.5 Favored 'General case' 0 C--N 1.36 1.056 0 C-N-CA 126.937 2.095 . . . . 1.72 114.706 178.174 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 44.4 ttp180 -81.88 -38.0 26.02 Favored 'General case' 0 C--N 1.373 1.609 0 C-N-CA 126.681 1.992 . . . . 3.04 111.927 -178.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -81.59 -20.76 39.14 Favored 'General case' 0 C--N 1.37 1.466 0 C-N-CA 126.087 1.755 . . . . 1.8600000000000001 112.172 179.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 48.0 t-80 -79.24 -28.28 42.45 Favored 'General case' 0 C--N 1.367 1.351 0 C-N-CA 128.213 2.605 . . . . 2.0099999999999998 111.552 174.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -72.57 -36.13 68.11 Favored 'General case' 0 C--N 1.368 1.401 0 C-N-CA 128.719 2.807 . . . . 1.1899999999999999 112.313 173.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.59 -28.88 41.05 Favored 'General case' 0 C--N 1.363 1.189 0 C-N-CA 128.226 2.611 . . . . 1.0700000000000001 113.504 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 67.7 m -85.19 -26.71 26.61 Favored 'General case' 0 C--N 1.362 1.125 0 C-N-CA 126.179 1.791 . . . . 1.03 113.137 176.081 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -74.99 -39.13 61.41 Favored 'General case' 0 C--N 1.363 1.163 0 C-N-CA 127.357 2.263 . . . . 2.3500000000000001 112.097 175.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.9 pt -101.06 -19.61 5.87 Favored 'Isoleucine or valine' 0 C--N 1.366 1.29 0 C-N-CA 123.832 0.853 . . . . 1.0900000000000001 113.236 -174.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 11.0 tpp180 83.89 62.95 0.01 OUTLIER 'General case' 0 C--N 1.369 1.455 0 C-N-CA 128.945 2.898 . . . . 3.6099999999999999 113.775 174.095 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 70.5 mt -137.32 -173.81 3.57 Favored 'General case' 0 C--N 1.36 1.057 0 N-CA-C 107.833 -1.173 . . . . 1.1799999999999999 107.833 173.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 57.8 p -93.2 145.98 31.06 Favored Pre-proline 0 C--N 1.368 1.381 0 C-N-CA 127.327 2.251 . . . . 1.4099999999999999 109.176 -177.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_exo -58.39 -22.66 59.58 Favored 'Trans proline' 0 C--N 1.363 1.328 1 C-N-CA 126.626 4.884 . . . . 1.0600000000000001 117.237 170.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.9 t -87.9 -29.3 20.97 Favored 'General case' 0 C--N 1.364 1.239 0 C-N-CA 126.34 1.856 . . . . 1.1299999999999999 111.165 -176.047 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -83.29 -34.09 25.81 Favored 'General case' 0 C--N 1.37 1.486 0 CA-C-N 119.488 1.04 . . . . 1.04 112.516 179.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.5 p -67.48 -39.8 83.23 Favored 'Isoleucine or valine' 0 C--N 1.379 1.859 0 C-N-CA 125.302 1.441 . . . . 1.0900000000000001 112.584 169.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.07 -49.14 66.99 Favored 'General case' 0 C--N 1.371 1.534 0 C-N-CA 127.167 2.187 . . . . 1.74 115.747 170.369 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.277 4.8 mt -85.68 -7.41 10.91 Favored 'Isoleucine or valine' 0 C--N 1.367 1.343 0 N-CA-C 115.217 1.562 . . . . 1.3200000000000001 115.217 179.125 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 34.1 t90 -74.66 -42.17 58.98 Favored 'General case' 0 C--N 1.379 1.857 0 C-N-CA 125.018 1.327 . . . . 0.34000000000000002 111.412 169.384 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -84.28 -14.89 48.58 Favored 'General case' 0 C--N 1.367 1.363 0 C-N-CA 126.122 1.769 . . . . 0.46000000000000002 113.319 179.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -75.59 -40.52 56.45 Favored 'General case' 0 C--N 1.365 1.263 0 C-N-CA 127.418 2.287 . . . . 1.3400000000000001 112.954 174.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 70.3 m-20 -89.76 -26.73 20.46 Favored 'General case' 0 C--N 1.366 1.314 0 C-N-CA 125.872 1.669 . . . . 0.85999999999999999 113.48 -175.202 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 8.5 m80 . . . . . 0 C--N 1.364 1.203 0 N-CA-C 116.959 2.207 . . . . 2.3900000000000001 116.959 -178.269 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 40.0 m . . . . . 0 CA--C 1.514 -0.439 0 N-CA-C 106.294 -1.743 . . . . 1.3100000000000001 106.294 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.1 pttm -73.36 6.44 2.92 Favored 'General case' 0 C--N 1.367 1.345 0 N-CA-C 118.952 2.945 . . . . 3.73 118.952 -157.461 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.25 -51.97 6.23 Favored 'General case' 0 C--N 1.361 1.081 0 C-N-CA 125.865 1.666 . . . . 1.1299999999999999 111.966 159.072 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -84.47 -39.27 19.12 Favored 'General case' 0 C--N 1.364 1.236 0 C-N-CA 128.276 2.63 . . . . 0.85999999999999999 111.258 -165.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 71.7 p -70.21 -34.81 73.36 Favored 'General case' 0 C--N 1.376 1.756 0 C-N-CA 127.531 2.333 . . . . 1.1200000000000001 111.377 177.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 54.0 t80 -64.2 -51.67 62.61 Favored 'General case' 0 C--N 1.37 1.476 0 C-N-CA 129.461 3.104 . . . . 1.22 112.76 179.053 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -72.81 -34.76 67.07 Favored 'General case' 0 C--N 1.362 1.109 0 N-CA-C 115.19 1.552 . . . . 1.3100000000000001 115.19 -177.432 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 92.2 mt -69.15 -42.32 76.12 Favored 'General case' 0 C--N 1.366 1.309 0 C-N-CA 125.766 1.626 . . . . 1.0900000000000001 115.072 176.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -71.12 -31.7 68.08 Favored 'General case' 0 C--N 1.362 1.128 0 C-N-CA 126.231 1.812 . . . . 1.6599999999999999 115.135 174.165 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.6 ptm180 -79.59 -26.51 41.24 Favored 'General case' 0 C--N 1.369 1.442 0 N-CA-C 115.1 1.519 . . . . 2.54 115.1 -177.421 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.264 40.0 mmm-85 -74.12 -32.01 63.01 Favored 'General case' 0 C--N 1.371 1.536 0 C-N-CA 123.43 0.692 . . . . 2.54 112.18 163.393 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -68.37 -27.22 66.05 Favored 'General case' 0 C--N 1.376 1.735 0 C-N-CA 126.589 1.956 . . . . 0.82999999999999996 114.315 -177.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 36.9 mmt-85 -79.74 -27.73 40.52 Favored 'General case' 0 C--N 1.365 1.259 0 C-N-CA 125.309 1.444 . . . . 4.5700000000000003 113.487 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 65.5 tp60 -93.49 -27.43 16.68 Favored 'General case' 0 N--CA 1.433 -1.298 0 C-N-CA 127.81 2.444 . . . . 2.5299999999999998 112.541 179.103 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -166.19 152.0 8.78 Favored 'General case' 0 C--N 1.367 1.362 0 N-CA-C 107.732 -1.21 . . . . 2.04 107.732 -167.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 24.0 mmt85 -105.07 -35.28 7.68 Favored 'General case' 0 C--N 1.361 1.079 0 C-N-CA 125.556 1.543 . . . . 4.25 110.277 -178.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 -114.35 137.05 52.31 Favored 'General case' 0 C--N 1.358 0.951 0 C-N-CA 126.537 1.935 . . . . 5.9000000000000004 107.69 178.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -145.85 120.68 9.93 Favored 'General case' 0 CA--C 1.496 -1.102 0 N-CA-C 101.644 -3.465 . . . . 1.28 101.644 -176.448 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 24.8 p -84.41 164.46 18.88 Favored 'General case' 0 C--N 1.366 1.321 0 C-N-CA 127.18 2.192 . . . . 2.04 110.523 -168.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.63 -36.06 25.58 Favored Pre-proline 0 C--N 1.364 1.206 0 N-CA-C 119.969 3.322 . . . . 1.23 119.969 -170.187 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -68.54 -35.85 16.43 Favored 'Trans proline' 0 C--N 1.361 1.214 0 C-N-CA 124.46 3.44 . . . . 1.3899999999999999 115.004 173.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -93.65 -18.32 22.29 Favored 'General case' 0 C--N 1.366 1.29 0 C-N-CA 126.28 1.832 . . . . 1.72 113.946 179.203 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 32.2 ttm180 -80.38 -40.03 27.32 Favored 'General case' 0 C--N 1.371 1.53 0 C-N-CA 127.127 2.171 . . . . 3.04 110.664 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.84 -17.23 48.13 Favored 'General case' 0 C--N 1.371 1.542 0 C-N-CA 126.634 1.973 . . . . 1.8600000000000001 112.148 -179.313 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 42.4 t-80 -81.16 -28.99 34.8 Favored 'General case' 0 C--N 1.364 1.208 0 C-N-CA 128.294 2.638 . . . . 2.0099999999999998 111.611 174.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -73.27 -33.89 65.51 Favored 'General case' 0 C--N 1.368 1.404 0 C-N-CA 128.137 2.575 . . . . 1.1899999999999999 112.321 172.186 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.47 -24.31 36.86 Favored 'General case' 0 C--N 1.363 1.176 0 C-N-CA 127.764 2.426 . . . . 1.0700000000000001 113.356 177.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.6 t -85.2 -27.69 25.94 Favored 'General case' 0 C--N 1.359 0.985 0 C-N-CA 126.457 1.903 . . . . 1.03 111.981 174.156 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 45.0 tp -74.97 -37.45 61.92 Favored 'General case' 0 C--N 1.361 1.082 0 C-N-CA 127.501 2.32 . . . . 2.3500000000000001 112.54 176.405 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.9 pt -106.13 -19.18 6.69 Favored 'Isoleucine or valine' 0 C--N 1.367 1.344 0 C-N-CA 123.712 0.805 . . . . 1.0900000000000001 112.442 -174.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 8.9 tpp180 86.88 68.98 0.01 OUTLIER 'General case' 0 C--N 1.372 1.581 0 C-N-CA 129.3 3.04 . . . . 3.6099999999999999 114.236 171.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 73.8 mt -136.49 -164.5 1.58 Allowed 'General case' 0 C--N 1.363 1.164 0 C-N-CA 124.803 1.241 . . . . 1.1799999999999999 109.4 174.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 80.6 p -104.72 146.73 33.2 Favored Pre-proline 0 C--N 1.369 1.415 0 C-N-CA 127.94 2.496 . . . . 1.4099999999999999 108.631 177.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_exo -59.29 -19.73 51.93 Favored 'Trans proline' 0 C--N 1.369 1.605 1 C-N-CA 126.583 4.855 . . . . 1.0600000000000001 117.119 170.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 14.1 t -87.08 -34.7 19.06 Favored 'General case' 0 C--N 1.365 1.259 0 C-N-CA 126.597 1.959 . . . . 1.1299999999999999 111.036 -176.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -79.99 -31.52 39.77 Favored 'General case' 0 C--N 1.372 1.579 0 CA-C-N 119.909 1.231 . . . . 1.04 112.445 179.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.9 p -68.96 -39.45 79.8 Favored 'Isoleucine or valine' 0 C--N 1.38 1.919 0 C-N-CA 124.645 1.178 . . . . 1.0900000000000001 112.546 171.257 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.67 -45.13 73.83 Favored 'General case' 0 C--N 1.37 1.468 0 N-CA-C 116.29 1.959 . . . . 1.74 116.29 169.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.254 2.3 mt -87.58 -8.18 10.97 Favored 'Isoleucine or valine' 0 C--N 1.368 1.403 0 N-CA-C 115.319 1.6 . . . . 1.3200000000000001 115.319 178.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 36.8 t90 -75.78 -41.89 51.73 Favored 'General case' 0 C--N 1.379 1.856 0 CA-C-N 119.86 1.209 . . . . 0.34000000000000002 110.732 169.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -85.24 -9.23 58.0 Favored 'General case' 0 C--N 1.367 1.347 0 C-N-CA 126.735 2.014 . . . . 0.46000000000000002 113.386 178.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -75.46 -41.01 56.71 Favored 'General case' 0 C--N 1.363 1.177 0 C-N-CA 125.839 1.656 . . . . 1.3400000000000001 112.148 168.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -93.21 -19.02 21.84 Favored 'General case' 0 C--N 1.366 1.285 0 C-N-CA 125.368 1.467 . . . . 0.85999999999999999 114.455 -173.18 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 11.4 m80 . . . . . 0 C--N 1.363 1.167 0 N-CA-C 115.155 1.539 . . . . 2.3900000000000001 115.155 179.492 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 32.8 m . . . . . 0 N--CA 1.454 -0.24 0 N-CA-C 106.911 -1.515 . . . . 1.3100000000000001 106.911 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.7 pttm -76.06 -10.94 59.82 Favored 'General case' 0 C--N 1.367 1.359 0 C-N-CA 127.554 2.342 . . . . 3.73 116.273 -169.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -78.55 -34.57 47.0 Favored 'General case' 0 C--N 1.367 1.332 0 C-N-CA 126.839 2.055 . . . . 1.1299999999999999 112.679 172.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 42.9 mm-40 -76.89 -44.11 33.19 Favored 'General case' 0 C--N 1.366 1.3 0 C-N-CA 128.796 2.839 . . . . 0.85999999999999999 111.272 -174.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 62.4 p -74.49 -28.8 61.17 Favored 'General case' 0 C--N 1.363 1.188 0 C-N-CA 126.493 1.917 . . . . 1.1200000000000001 111.947 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 54.0 t80 -65.63 -51.08 62.33 Favored 'General case' 0 C--N 1.369 1.45 0 C-N-CA 127.494 2.318 . . . . 1.22 112.765 175.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -74.45 -34.32 63.14 Favored 'General case' 0 C--N 1.358 0.967 0 N-CA-C 115.741 1.756 . . . . 1.3100000000000001 115.741 -176.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 83.2 mt -74.1 -42.32 60.28 Favored 'General case' 0 C--N 1.361 1.077 0 C-N-CA 126.621 1.968 . . . . 1.0900000000000001 114.369 178.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -69.2 -30.94 69.23 Favored 'General case' 0 C--N 1.363 1.164 0 C-N-CA 127.005 2.122 . . . . 1.6599999999999999 115.382 171.046 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.6 ptm180 -77.49 -31.06 53.38 Favored 'General case' 0 C--N 1.369 1.422 0 N-CA-C 115.364 1.616 . . . . 2.54 115.364 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.44 ' HE ' HE21 ' A' ' 31' ' ' GLN 0.254 37.2 mmm-85 -79.73 -16.51 55.49 Favored 'General case' 0 C--N 1.37 1.496 0 C-N-CA 123.879 0.872 . . . . 2.54 112.675 164.542 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -75.33 -30.51 60.31 Favored 'General case' 0 C--N 1.368 1.373 0 O-C-N 120.44 -1.412 . . . . 0.82999999999999996 114.344 173.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.3 tpt180 -93.62 -37.51 11.83 Favored 'General case' 0 C--N 1.353 0.736 0 C-N-CA 125.917 1.687 . . . . 4.5700000000000003 114.213 -167.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 65.8 tp60 -92.41 -23.22 19.26 Favored 'General case' 0 C--N 1.367 1.359 0 C-N-CA 127.037 2.135 . . . . 2.5299999999999998 112.519 174.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.44 HE21 ' HE ' ' A' ' 27' ' ' ARG . 0.4 OUTLIER -127.4 165.59 19.5 Favored 'General case' 0 C--N 1.363 1.177 0 N-CA-C 105.916 -1.883 . . . . 2.04 105.916 -176.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . 0.26 94.1 mtt-85 -89.05 -79.82 0.31 Allowed 'General case' 0 C--N 1.355 0.807 0 N-CA-C 105.92 -1.881 . . . . 4.25 105.92 130.354 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . 2.369 16.5 m-85 70.74 49.28 0.39 Allowed 'General case' 0 C--N 1.362 1.11 0 C-N-CA 130.943 3.697 . . . . 5.9000000000000004 114.631 122.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . 2.337 0.0 OUTLIER -79.8 -122.87 0.01 OUTLIER 'General case' 0 C--N 1.359 1.011 0 C-N-CA 129.207 3.003 . . . . 1.28 110.873 173.04 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 21.7 t 118.44 167.31 0.0 OUTLIER 'General case' 0 C--N 1.378 1.809 0 C-N-CA 130.959 3.704 . . . . 2.04 101.383 -170.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -73.22 -49.42 7.02 Favored Pre-proline 0 C--N 1.347 0.472 0 CA-C-O 116.218 -1.848 . . . . 1.23 114.197 178.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -72.52 -17.41 26.7 Favored 'Trans proline' 0 C--N 1.365 1.415 0 CA-C-N 125.067 2.845 . . . . 1.3899999999999999 116.137 179.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.303 1.2 pt-20 -97.37 -14.29 21.34 Favored 'General case' 0 C--N 1.368 1.389 0 CA-C-N 120.327 1.421 . . . . 1.72 113.365 178.692 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 37.2 ttm180 -81.52 -36.11 29.56 Favored 'General case' 0 C--N 1.372 1.583 0 C-N-CA 125.828 1.651 . . . . 3.04 112.307 170.226 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -76.91 -23.15 52.51 Favored 'General case' 0 C--N 1.372 1.568 0 C-N-CA 126.88 2.072 . . . . 1.8600000000000001 112.662 179.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 45.4 t-80 -85.01 -31.19 23.61 Favored 'General case' 0 C--N 1.362 1.14 0 C-N-CA 127.88 2.472 . . . . 2.0099999999999998 110.97 178.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -75.85 -35.4 59.95 Favored 'General case' 0 C--N 1.368 1.374 0 C-N-CA 128.201 2.601 . . . . 1.1899999999999999 112.212 174.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -80.79 -29.67 36.04 Favored 'General case' 0 C--N 1.364 1.196 0 C-N-CA 128.131 2.572 . . . . 1.0700000000000001 113.029 -179.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 73.8 m -84.57 -29.55 25.75 Favored 'General case' 0 C--N 1.364 1.203 0 C-N-CA 124.796 1.238 . . . . 1.03 113.216 176.034 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 36.6 tp -72.79 -38.2 67.31 Favored 'General case' 0 C--N 1.361 1.092 0 C-N-CA 125.823 1.649 . . . . 2.3500000000000001 113.18 175.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.3 pt -99.12 -18.09 6.43 Favored 'Isoleucine or valine' 0 C--N 1.368 1.389 0 C-N-CA 124.085 0.954 . . . . 1.0900000000000001 112.998 -173.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.3 tpp180 95.32 45.1 0.0 OUTLIER 'General case' 0 C--N 1.375 1.676 0 C-N-CA 130.092 3.357 . . . . 3.6099999999999999 114.366 164.257 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 94.6 mt -127.45 -175.57 3.49 Favored 'General case' 0 C--N 1.356 0.889 0 O-C-N 120.636 -1.29 . . . . 1.1799999999999999 109.613 -177.145 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.409 HG23 ' H ' ' A' ' 51' ' ' THR . 71.5 p -90.74 145.59 32.37 Favored Pre-proline 0 C--N 1.369 1.435 0 C-N-CA 126.774 2.029 . . . . 1.4099999999999999 109.482 -178.139 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_exo -61.89 -20.99 71.37 Favored 'Trans proline' 0 C--N 1.366 1.476 1 C-N-CA 126.173 4.582 . . . . 1.0600000000000001 116.142 173.542 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.409 ' H ' HG23 ' A' ' 49' ' ' THR . 13.6 t -87.74 -29.0 21.4 Favored 'General case' 0 C--N 1.366 1.312 0 C-N-CA 126.613 1.965 . . . . 1.1299999999999999 110.869 -176.794 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -82.27 -33.55 29.11 Favored 'General case' 0 C--N 1.373 1.615 0 CA-C-N 119.575 1.079 . . . . 1.04 112.542 178.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.3 p -69.49 -38.02 76.07 Favored 'Isoleucine or valine' 0 C--N 1.378 1.831 0 C-N-CA 125.52 1.528 . . . . 1.0900000000000001 112.624 171.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 6.3 mmmt -53.48 -50.67 64.86 Favored 'General case' 0 C--N 1.373 1.61 0 C-N-CA 127.656 2.382 . . . . 1.74 115.442 169.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.0 mt -86.31 -4.81 9.63 Favored 'Isoleucine or valine' 0 C--N 1.366 1.288 0 N-CA-C 114.823 1.416 . . . . 1.3200000000000001 114.823 178.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 24.9 t90 -75.77 -43.5 46.23 Favored 'General case' 0 C--N 1.376 1.753 0 C-N-CA 124.856 1.262 . . . . 0.34000000000000002 110.558 169.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -82.87 -20.29 35.81 Favored 'General case' 0 C--N 1.371 1.52 0 C-N-CA 125.43 1.492 . . . . 0.46000000000000002 113.098 179.093 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -85.0 -23.92 28.47 Favored 'General case' 0 C--N 1.369 1.433 0 C-N-CA 125.768 1.627 . . . . 1.3400000000000001 112.231 178.238 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 51.5 m-20 -87.4 -28.71 21.99 Favored 'General case' 0 C--N 1.367 1.354 0 C-N-CA 125.48 1.512 . . . . 0.85999999999999999 113.231 171.597 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 2.4 m80 . . . . . 0 C--N 1.365 1.264 0 N-CA-C 115.207 1.558 . . . . 2.3900000000000001 115.207 -173.874 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.6 m . . . . . 0 N--CA 1.466 0.332 0 N-CA-C 110.818 -0.067 . . . . 1.3100000000000001 110.818 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.9 ptmm? -80.61 7.31 10.36 Favored 'General case' 0 C--N 1.37 1.481 0 N-CA-C 116.925 2.194 . . . . 3.73 116.925 -165.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.28 -48.92 8.61 Favored 'General case' 0 C--N 1.36 1.049 0 C-N-CA 126.146 1.778 . . . . 1.1299999999999999 111.873 158.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 55.8 mm-40 -76.13 -46.42 28.83 Favored 'General case' 0 C--N 1.368 1.38 0 C-N-CA 128.623 2.769 . . . . 0.85999999999999999 112.374 -168.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 59.9 p -70.93 -31.0 67.48 Favored 'General case' 0 C--N 1.37 1.485 0 C-N-CA 127.975 2.51 . . . . 1.1200000000000001 111.981 179.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 49.9 t80 -63.68 -53.95 43.33 Favored 'General case' 0 C--N 1.367 1.348 0 C-N-CA 128.873 2.869 . . . . 1.22 112.508 178.042 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -68.32 -37.67 80.79 Favored 'General case' 0 C--N 1.364 1.229 0 C-N-CA 125.977 1.711 . . . . 1.3100000000000001 115.597 -178.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 93.7 mt -69.12 -36.12 77.15 Favored 'General case' 0 C--N 1.361 1.082 0 N-CA-C 116.3 1.963 . . . . 1.0900000000000001 116.3 177.106 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -77.68 -22.21 50.87 Favored 'General case' 0 C--N 1.359 0.99 0 C-N-CA 126.903 2.081 . . . . 1.6599999999999999 113.738 176.244 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . 0.293 8.2 mmt85 -66.87 -55.22 15.69 Favored 'General case' 0 C--N 1.379 1.86 0 C-N-CA 123.318 0.647 . . . . 2.54 111.704 168.761 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.623 2.8 ptm180 -86.27 1.82 49.48 Favored 'General case' 0 C--N 1.372 1.548 0 N-CA-C 115.367 1.617 . . . . 2.54 115.367 -171.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 25.2 t80 -79.74 -43.02 23.34 Favored 'General case' 0 C--N 1.378 1.832 0 C-N-CA 126.909 2.084 . . . . 0.82999999999999996 113.792 153.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.2 tmm_? -80.51 -29.49 37.29 Favored 'General case' 0 C--N 1.368 1.408 0 C-N-CA 125.8 1.64 . . . . 4.5700000000000003 113.884 -173.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 66.0 tp60 -88.39 -24.62 23.03 Favored 'General case' 0 C--N 1.368 1.371 0 C-N-CA 127.928 2.491 . . . . 2.5299999999999998 112.528 -178.128 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -161.73 155.17 21.21 Favored 'General case' 0 C--N 1.361 1.1 0 N-CA-C 106.14 -1.8 . . . . 2.04 106.14 -173.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.7 mmm180 -90.13 -48.93 6.87 Favored 'General case' 0 C--N 1.363 1.188 0 C-N-CA 125.306 1.442 . . . . 4.25 109.554 173.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . 2.397 39.7 m-85 32.47 -145.87 0.0 OUTLIER 'General case' 0 C--N 1.371 1.536 1 C-N-CA 133.799 4.84 . . . . 5.9000000000000004 117.029 176.005 . . . . . . . . 3 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -155.48 129.92 9.0 Favored 'General case' 0 C--N 1.359 0.987 1 C-N-CA 132.124 4.17 . . . . 1.28 102.696 5.004 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 21.4 p -90.42 165.56 13.77 Favored 'General case' 0 C--N 1.368 1.377 0 C-N-CA 126.847 2.059 . . . . 2.04 109.862 -171.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.8 -34.39 14.53 Favored Pre-proline 0 C--N 1.366 1.317 0 N-CA-C 120.206 3.41 . . . . 1.23 120.206 -171.456 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_exo -67.18 -27.45 41.45 Favored 'Trans proline' 0 C--N 1.361 1.213 0 C-N-CA 124.173 3.249 . . . . 1.3899999999999999 115.581 175.335 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -107.85 -21.82 12.69 Favored 'General case' 0 C--N 1.362 1.122 0 C-N-CA 126.013 1.725 . . . . 1.72 114.764 176.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 60.9 ttp85 -78.22 -43.42 28.42 Favored 'General case' 0 C--N 1.377 1.774 0 CA-C-N 121.253 1.842 . . . . 3.04 111.429 179.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -82.71 -21.67 34.74 Favored 'General case' 0 C--N 1.368 1.404 0 C-N-CA 127.167 2.187 . . . . 1.8600000000000001 112.588 -176.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 47.1 t-80 -81.91 -26.77 33.8 Favored 'General case' 0 C--N 1.365 1.277 0 C-N-CA 127.735 2.414 . . . . 2.0099999999999998 111.269 177.158 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -69.8 -38.71 76.74 Favored 'General case' 0 C--N 1.368 1.41 0 C-N-CA 128.106 2.562 . . . . 1.1899999999999999 112.543 169.098 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -76.21 -27.42 56.82 Favored 'General case' 0 C--N 1.361 1.106 0 C-N-CA 127.752 2.421 . . . . 1.0700000000000001 113.794 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 68.3 m -85.15 -29.36 24.84 Favored 'General case' 0 C--N 1.36 1.034 0 C-N-CA 125.939 1.695 . . . . 1.03 113.505 175.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -76.88 -36.41 56.76 Favored 'General case' 0 C--N 1.364 1.207 0 C-N-CA 127.545 2.338 . . . . 2.3500000000000001 112.199 178.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.0 pt -102.66 -19.71 5.97 Favored 'Isoleucine or valine' 0 C--N 1.365 1.27 0 C-N-CA 124.329 1.052 . . . . 1.0900000000000001 111.489 -175.257 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 11.7 tpp85 85.21 66.85 0.01 OUTLIER 'General case' 0 C--N 1.374 1.644 0 C-N-CA 129.092 2.957 . . . . 3.6099999999999999 113.806 170.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 90.5 mt -137.6 -171.47 3.0 Favored 'General case' 0 C--N 1.36 1.039 0 C-N-CA 124.743 1.217 . . . . 1.1799999999999999 108.751 174.127 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 82.4 p -97.09 148.58 34.6 Favored Pre-proline 0 C--N 1.37 1.482 0 C-N-CA 127.498 2.319 . . . . 1.4099999999999999 109.292 178.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -59.73 -24.04 74.13 Favored 'Trans proline' 0 C--N 1.364 1.372 1 C-N-CA 126.458 4.772 . . . . 1.0600000000000001 117.002 170.598 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.6 t -87.75 -25.01 23.63 Favored 'General case' 0 C--N 1.365 1.247 0 C-N-CA 125.331 1.453 . . . . 1.1299999999999999 111.261 -175.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -84.96 -33.23 22.68 Favored 'General case' 0 C--N 1.371 1.516 0 C-N-CA 123.943 0.897 . . . . 1.04 112.84 177.319 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.6 p -66.46 -41.99 89.55 Favored 'Isoleucine or valine' 0 C--N 1.381 1.959 0 C-N-CA 125.042 1.337 . . . . 1.0900000000000001 112.615 170.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . 0.28 0.0 OUTLIER -72.14 -30.08 64.68 Favored 'General case' 0 C--N 1.366 1.294 0 N-CA-C 115.864 1.801 . . . . 1.74 115.864 176.692 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.265 0.3 OUTLIER -79.58 -13.88 13.29 Favored 'Isoleucine or valine' 0 C--N 1.385 2.118 0 CA-C-N 121.288 1.858 . . . . 1.3200000000000001 113.966 167.076 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 28.1 t90 -75.26 -38.89 60.3 Favored 'General case' 0 C--N 1.38 1.897 0 CA-C-N 120.738 1.608 . . . . 0.34000000000000002 111.762 174.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -81.34 -15.68 54.63 Favored 'General case' 0 C--N 1.368 1.372 0 C-N-CA 126.561 1.944 . . . . 0.46000000000000002 112.716 178.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -69.99 -45.42 67.33 Favored 'General case' 0 C--N 1.366 1.321 0 C-N-CA 127.001 2.12 . . . . 1.3400000000000001 113.124 165.249 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 64.5 m-20 -95.06 -28.97 14.83 Favored 'General case' 0 C--N 1.365 1.254 0 C-N-CA 125.605 1.562 . . . . 0.85999999999999999 114.244 -167.174 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 2.0 t60 . . . . . 0 C--N 1.366 1.316 0 C-N-CA 124.766 1.226 . . . . 2.3900000000000001 114.092 -174.549 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 27.1 m . . . . . 0 CA--C 1.519 -0.213 0 N-CA-C 108.454 -0.943 . . . . 1.3100000000000001 108.454 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -85.02 8.78 16.62 Favored 'General case' 0 C--N 1.37 1.481 0 C-N-CA 126.898 2.079 . . . . 3.73 114.896 -170.26 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.18 -47.51 10.05 Favored 'General case' 0 C--N 1.36 1.049 0 C-N-CA 126.533 1.933 . . . . 1.1299999999999999 111.778 160.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 50.6 mm-40 -72.14 -51.85 19.4 Favored 'General case' 0 C--N 1.37 1.492 0 C-N-CA 129.03 2.932 . . . . 0.85999999999999999 112.774 -170.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 67.0 p -68.15 -35.33 77.9 Favored 'General case' 0 C--N 1.368 1.411 0 C-N-CA 127.772 2.429 . . . . 1.1200000000000001 112.749 -178.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 46.0 t80 -63.13 -53.83 47.29 Favored 'General case' 0 C--N 1.365 1.261 0 C-N-CA 129.191 2.996 . . . . 1.22 112.83 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -67.6 -40.28 84.75 Favored 'General case' 0 C--N 1.362 1.139 0 C-N-CA 126.73 2.012 . . . . 1.3100000000000001 115.152 -178.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 98.3 mt -67.01 -35.69 80.48 Favored 'General case' 0 C--N 1.361 1.07 0 C-N-CA 126.725 2.01 . . . . 1.0900000000000001 115.791 178.101 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -78.15 -25.34 47.28 Favored 'General case' 0 C--N 1.358 0.96 0 C-N-CA 127.061 2.144 . . . . 1.6599999999999999 114.566 175.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . 0.299 5.3 mmt85 -68.13 -50.17 56.39 Favored 'General case' 0 C--N 1.378 1.826 0 C-N-CA 123.512 0.725 . . . . 2.54 111.857 172.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.441 0.0 OUTLIER -84.71 6.15 25.42 Favored 'General case' 0 C--N 1.374 1.67 0 CA-C-N 114.662 -1.154 . . . . 2.54 114.102 179.881 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -87.55 -31.94 19.63 Favored 'General case' 0 C--N 1.37 1.49 0 C-N-CA 126.13 1.772 . . . . 0.82999999999999996 114.597 157.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 33.4 mmt-85 -81.79 -41.7 20.78 Favored 'General case' 0 C--N 1.371 1.53 0 CA-C-N 120.872 1.669 . . . . 4.5700000000000003 113.696 179.103 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 66.5 tp60 -90.91 -22.87 20.68 Favored 'General case' 0 C--N 1.367 1.335 0 C-N-CA 127.799 2.439 . . . . 2.5299999999999998 112.979 -170.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -150.9 156.85 42.06 Favored 'General case' 0 C--N 1.361 1.068 0 N-CA-C 105.876 -1.898 . . . . 2.04 105.876 -177.159 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 15.5 mtm105 -105.45 -38.04 6.61 Favored 'General case' 0 C--N 1.364 1.208 0 C-N-CA 124.344 1.057 . . . . 4.25 110.535 -178.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . 0.484 0.2 OUTLIER -69.46 -84.27 0.03 OUTLIER 'General case' 0 C--N 1.37 1.488 0 N-CA-C 118.72 2.859 . . . . 5.9000000000000004 118.72 -145.478 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -129.58 159.51 36.13 Favored 'General case' 0 C--N 1.37 1.473 1 C-N-CA 136.56 5.944 . . . . 1.28 100.25 15.411 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 24.7 p -74.71 153.08 39.02 Favored 'General case' 0 C--N 1.384 2.096 0 CA-C-N 122.504 2.411 . . . . 2.04 112.589 178.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.09 -37.64 40.17 Favored Pre-proline 0 C--N 1.366 1.284 0 N-CA-C 118.558 2.799 . . . . 1.23 118.558 -167.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -68.55 -17.88 43.25 Favored 'Trans proline' 0 C--N 1.364 1.391 0 C-N-CA 124.529 3.486 . . . . 1.3899999999999999 115.44 173.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -106.16 -14.71 15.06 Favored 'General case' 0 C--N 1.363 1.157 0 C-N-CA 125.714 1.605 . . . . 1.72 114.699 174.05 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 46.0 ttp85 -79.67 -46.39 17.25 Favored 'General case' 0 C--N 1.377 1.768 0 C-N-CA 126.294 1.838 . . . . 3.04 111.528 177.473 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -79.35 -27.66 42.0 Favored 'General case' 0 C--N 1.369 1.416 0 C-N-CA 128.212 2.605 . . . . 1.8600000000000001 112.342 -176.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 45.6 t-80 -83.58 -25.75 30.64 Favored 'General case' 0 C--N 1.364 1.208 0 C-N-CA 127.713 2.405 . . . . 2.0099999999999998 111.243 -179.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -69.45 -35.65 75.85 Favored 'General case' 0 C--N 1.368 1.391 0 C-N-CA 127.886 2.474 . . . . 1.1899999999999999 112.708 167.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.54 -28.94 62.15 Favored 'General case' 0 C--N 1.362 1.147 0 C-N-CA 126.989 2.116 . . . . 1.0700000000000001 113.822 175.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 50.3 m -85.13 -30.55 23.9 Favored 'General case' 0 C--N 1.36 1.038 0 C-N-CA 125.552 1.541 . . . . 1.03 114.538 174.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -78.28 -34.85 48.68 Favored 'General case' 0 C--N 1.362 1.117 0 C-N-CA 127.36 2.264 . . . . 2.3500000000000001 112.292 -178.263 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.7 pt -100.65 -21.36 5.14 Favored 'Isoleucine or valine' 0 C--N 1.364 1.238 0 C-N-CA 124.486 1.114 . . . . 1.0900000000000001 111.344 -177.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 18.0 tpp180 86.09 66.25 0.01 OUTLIER 'General case' 0 C--N 1.374 1.651 0 C-N-CA 128.975 2.91 . . . . 3.6099999999999999 114.058 170.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 85.2 mt -134.52 -163.61 1.4 Allowed 'General case' 0 C--N 1.356 0.87 0 N-CA-C 107.193 -1.41 . . . . 1.1799999999999999 107.193 172.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 68.4 p -104.82 148.55 36.28 Favored Pre-proline 0 C--N 1.367 1.332 0 C-N-CA 127.258 2.223 . . . . 1.4099999999999999 107.431 178.039 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_exo -60.18 -20.22 60.72 Favored 'Trans proline' 0 C--N 1.362 1.273 1 C-N-CA 126.073 4.515 . . . . 1.0600000000000001 116.911 171.039 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.5 t -87.07 -29.99 21.48 Favored 'General case' 0 C--N 1.366 1.286 0 C-N-CA 126.302 1.841 . . . . 1.1299999999999999 111.394 -177.083 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -84.3 -30.8 25.28 Favored 'General case' 0 C--N 1.372 1.574 0 CA-C-N 119.428 1.013 . . . . 1.04 112.602 179.028 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.7 p -67.12 -39.38 83.07 Favored 'Isoleucine or valine' 0 C--N 1.38 1.92 0 C-N-CA 124.995 1.318 . . . . 1.0900000000000001 112.959 168.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.68 -53.11 51.88 Favored 'General case' 0 C--N 1.374 1.66 0 C-N-CA 127.77 2.428 . . . . 1.74 115.626 169.479 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.284 5.7 mt -85.02 -5.44 9.66 Favored 'Isoleucine or valine' 0 C--N 1.37 1.474 0 N-CA-C 114.917 1.451 . . . . 1.3200000000000001 114.917 -179.031 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 33.5 t90 -74.74 -42.43 58.28 Favored 'General case' 0 C--N 1.378 1.839 0 C-N-CA 125.376 1.47 . . . . 0.34000000000000002 110.764 166.099 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -84.21 -11.46 56.48 Favored 'General case' 0 C--N 1.366 1.286 0 C-N-CA 126.016 1.726 . . . . 0.46000000000000002 113.725 -179.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 -80.83 -35.33 33.05 Favored 'General case' 0 C--N 1.357 0.918 0 C-N-CA 127.522 2.329 . . . . 1.3400000000000001 111.866 170.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 61.2 m-20 -88.98 -42.83 11.55 Favored 'General case' 0 C--N 1.367 1.344 0 C-N-CA 126.261 1.824 . . . . 0.85999999999999999 113.434 -174.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 1.9 t60 . . . . . 0 C--N 1.366 1.285 0 N-CA-C 116.893 2.183 . . . . 2.3900000000000001 116.893 -171.735 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 24.5 m . . . . . 0 CA--C 1.52 -0.188 0 N-CA-C 107.96 -1.126 . . . . 1.3100000000000001 107.96 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -85.05 7.88 19.89 Favored 'General case' 0 C--N 1.368 1.41 0 C-N-CA 126.852 2.061 . . . . 3.73 114.623 -171.823 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.17 -45.27 12.19 Favored 'General case' 0 C--N 1.361 1.077 0 C-N-CA 126.779 2.032 . . . . 1.1299999999999999 112.141 162.334 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 46.3 mm-40 -77.67 -48.11 17.59 Favored 'General case' 0 C--N 1.37 1.48 0 C-N-CA 127.858 2.463 . . . . 0.85999999999999999 112.092 -169.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 62.4 p -66.6 -38.08 86.22 Favored 'General case' 0 C--N 1.374 1.64 0 C-N-CA 127.717 2.407 . . . . 1.1200000000000001 112.513 178.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 49.2 t80 -58.57 -57.13 14.32 Favored 'General case' 0 C--N 1.369 1.422 0 C-N-CA 129.218 3.007 . . . . 1.22 112.69 177.191 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -67.9 -36.66 80.59 Favored 'General case' 0 C--N 1.367 1.352 0 C-N-CA 126.466 1.906 . . . . 1.3100000000000001 115.272 -175.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 97.5 mt -67.36 -37.46 83.26 Favored 'General case' 0 C--N 1.364 1.212 0 C-N-CA 126.232 1.813 . . . . 1.0900000000000001 115.799 176.062 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -76.77 -26.39 54.45 Favored 'General case' 0 C--N 1.36 1.05 0 C-N-CA 126.538 1.935 . . . . 1.6599999999999999 114.579 177.064 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 10.5 mtm180 -70.94 -46.4 62.49 Favored 'General case' 0 C--N 1.375 1.689 0 C-N-CA 124.153 0.981 . . . . 2.54 112.349 174.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.322 19.0 mmm-85 -72.79 -22.25 60.86 Favored 'General case' 0 C--N 1.379 1.89 0 N-CA-C 113.22 0.822 . . . . 2.54 113.22 -178.034 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -73.64 -33.67 64.63 Favored 'General case' 0 C--N 1.38 1.91 0 C-N-CA 125.718 1.607 . . . . 0.82999999999999996 113.034 169.26 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.8 mmm-85 -73.03 -29.11 62.76 Favored 'General case' 0 C--N 1.369 1.447 0 C-N-CA 126.083 1.753 . . . . 4.5700000000000003 115.422 174.223 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 89.8 mm-40 -92.53 -29.13 16.36 Favored 'General case' 0 C--N 1.363 1.165 0 C-N-CA 126.217 1.807 . . . . 2.5299999999999998 112.775 -179.011 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -158.49 172.42 18.35 Favored 'General case' 0 C--N 1.364 1.228 0 N-CA-C 107.862 -1.162 . . . . 2.04 107.862 179.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 60.9 mmt-85 -105.32 -38.66 6.43 Favored 'General case' 0 C--N 1.358 0.946 0 C-N-CA 126.046 1.738 . . . . 4.25 110.0 -176.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 -130.69 142.0 50.42 Favored 'General case' 0 C--N 1.359 1.012 0 C-N-CA 125.884 1.674 . . . . 5.9000000000000004 107.028 -174.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -146.43 120.16 9.23 Favored 'General case' 0 CA--C 1.501 -0.925 0 N-CA-C 103.272 -2.862 . . . . 1.28 103.272 -172.419 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 10.7 m -97.62 165.94 11.74 Favored 'General case' 0 C--N 1.366 1.311 0 C-N-CA 126.534 1.934 . . . . 2.04 108.698 -169.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -42.9 -36.82 1.73 Allowed Pre-proline 0 C--N 1.367 1.347 0 N-CA-C 121.402 3.853 . . . . 1.23 121.402 -170.113 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_exo -67.26 -32.76 32.5 Favored 'Trans proline' 0 C--N 1.361 1.193 0 C-N-CA 124.315 3.343 . . . . 1.3899999999999999 115.064 174.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -102.86 -20.3 14.34 Favored 'General case' 0 C--N 1.362 1.118 0 C-N-CA 126.365 1.866 . . . . 1.72 114.785 177.124 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 43.0 ttp180 -80.17 -42.06 24.12 Favored 'General case' 0 C--N 1.374 1.663 0 C-N-CA 126.323 1.849 . . . . 3.04 111.712 -179.318 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -80.75 -20.11 43.45 Favored 'General case' 0 C--N 1.368 1.396 0 C-N-CA 126.43 1.892 . . . . 1.8600000000000001 112.129 -178.323 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 44.5 t-80 -80.68 -27.66 37.0 Favored 'General case' 0 C--N 1.365 1.282 0 C-N-CA 128.102 2.561 . . . . 2.0099999999999998 111.781 175.212 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -74.42 -31.4 62.3 Favored 'General case' 0 C--N 1.37 1.464 0 C-N-CA 128.169 2.588 . . . . 1.1899999999999999 112.369 172.122 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -80.28 -27.02 38.64 Favored 'General case' 0 C--N 1.364 1.234 0 C-N-CA 127.669 2.388 . . . . 1.0700000000000001 112.936 176.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 70.8 m -85.16 -26.3 26.91 Favored 'General case' 0 C--N 1.36 1.05 0 C-N-CA 126.099 1.76 . . . . 1.03 113.298 173.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 50.4 tp -74.4 -39.31 62.76 Favored 'General case' 0 C--N 1.362 1.139 0 C-N-CA 127.451 2.3 . . . . 2.3500000000000001 112.462 176.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.4 pt -106.09 -17.86 7.41 Favored 'Isoleucine or valine' 0 C--N 1.366 1.295 0 C-N-CA 123.698 0.799 . . . . 1.0900000000000001 112.136 -173.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 12.4 tpp180 87.89 66.54 0.01 OUTLIER 'General case' 0 C--N 1.373 1.606 0 C-N-CA 129.277 3.031 . . . . 3.6099999999999999 114.047 169.055 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 87.0 mt -136.17 -167.58 2.07 Favored 'General case' 0 C--N 1.362 1.152 0 C-N-CA 124.18 0.992 . . . . 1.1799999999999999 109.515 176.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 80.0 p -100.96 148.37 34.98 Favored Pre-proline 0 C--N 1.369 1.451 0 C-N-CA 128.084 2.554 . . . . 1.4099999999999999 108.58 178.103 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_exo -59.42 -21.25 60.4 Favored 'Trans proline' 0 C--N 1.365 1.412 1 C-N-CA 126.474 4.783 . . . . 1.0600000000000001 117.122 171.439 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.8 t -87.34 -31.48 20.14 Favored 'General case' 0 C--N 1.365 1.261 0 C-N-CA 126.041 1.737 . . . . 1.1299999999999999 111.137 -175.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -83.13 -29.93 28.3 Favored 'General case' 0 C--N 1.37 1.466 0 CA-C-N 119.556 1.071 . . . . 1.04 112.633 178.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.2 p -69.54 -40.91 80.2 Favored 'Isoleucine or valine' 0 C--N 1.38 1.907 0 C-N-CA 124.52 1.128 . . . . 1.0900000000000001 112.549 170.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.9 tppt? -57.87 -44.76 86.83 Favored 'General case' 0 C--N 1.371 1.526 0 C-N-CA 127.977 2.511 . . . . 1.74 114.058 173.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.303 4.8 mt -88.85 -6.35 10.76 Favored 'Isoleucine or valine' 0 C--N 1.367 1.348 0 N-CA-C 115.454 1.649 . . . . 1.3200000000000001 115.454 179.536 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 40.1 t90 -75.03 -40.48 60.43 Favored 'General case' 0 C--N 1.378 1.831 0 CA-C-N 120.32 1.418 . . . . 0.34000000000000002 111.342 166.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -80.74 -15.78 55.57 Favored 'General case' 0 C--N 1.367 1.366 0 C-N-CA 126.388 1.875 . . . . 0.46000000000000002 113.361 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -79.0 -33.81 44.65 Favored 'General case' 0 C--N 1.361 1.068 0 C-N-CA 127.691 2.396 . . . . 1.3400000000000001 112.57 171.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -94.9 -35.82 11.87 Favored 'General case' 0 C--N 1.367 1.336 0 C-N-CA 125.662 1.585 . . . . 0.85999999999999999 114.652 -174.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 2.3 t60 . . . . . 0 C--N 1.364 1.209 0 N-CA-C 115.152 1.538 . . . . 2.3900000000000001 115.152 -170.932 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 27.3 m . . . . . 0 CA--C 1.521 -0.15 0 N-CA-C 107.214 -1.402 . . . . 1.3100000000000001 107.214 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.37 -7.79 56.65 Favored 'General case' 0 C--N 1.369 1.419 0 C-N-CA 126.927 2.091 . . . . 3.73 116.206 -168.448 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -82.59 -38.2 23.97 Favored 'General case' 0 C--N 1.364 1.238 0 C-N-CA 126.432 1.893 . . . . 1.1299999999999999 112.419 171.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 45.7 mm-40 -77.96 -42.64 32.24 Favored 'General case' 0 C--N 1.368 1.385 0 C-N-CA 127.562 2.345 . . . . 0.85999999999999999 111.326 -173.125 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 77.9 p -68.38 -36.49 79.24 Favored 'General case' 0 C--N 1.372 1.584 0 C-N-CA 127.484 2.314 . . . . 1.1200000000000001 112.524 178.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 54.0 t80 -63.34 -51.92 63.97 Favored 'General case' 0 C--N 1.371 1.501 0 C-N-CA 129.346 3.058 . . . . 1.22 112.917 178.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -73.23 -34.79 66.08 Favored 'General case' 0 C--N 1.361 1.068 0 N-CA-C 115.237 1.569 . . . . 1.3100000000000001 115.237 -176.555 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 84.5 mt -69.25 -43.03 74.8 Favored 'General case' 0 C--N 1.366 1.303 0 C-N-CA 126.114 1.765 . . . . 1.0900000000000001 114.456 176.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -69.86 -32.27 70.56 Favored 'General case' 0 C--N 1.363 1.171 0 C-N-CA 126.05 1.74 . . . . 1.6599999999999999 115.433 174.082 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.7 ptm180 -80.05 -27.69 39.38 Favored 'General case' 0 C--N 1.369 1.442 0 N-CA-C 115.39 1.626 . . . . 2.54 115.39 -177.204 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.266 33.1 mmm-85 -74.8 -28.44 60.72 Favored 'General case' 0 C--N 1.372 1.57 0 C-N-CA 124.309 1.044 . . . . 2.54 112.073 165.098 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -68.88 -33.74 74.28 Favored 'General case' 0 C--N 1.375 1.713 0 C-N-CA 126.146 1.778 . . . . 0.82999999999999996 113.983 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 37.4 mmt-85 -81.72 -15.27 54.93 Favored 'General case' 0 C--N 1.363 1.18 0 C-N-CA 124.887 1.275 . . . . 4.5700000000000003 114.217 -178.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 88.8 mm-40 -95.2 -29.67 14.41 Favored 'General case' 0 C--N 1.369 1.431 0 C-N-CA 125.943 1.697 . . . . 2.5299999999999998 113.058 172.046 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -164.97 154.57 13.13 Favored 'General case' 0 C--N 1.365 1.26 0 N-CA-C 105.351 -2.092 . . . . 2.04 105.351 -168.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 83.3 mtt-85 -102.83 -34.47 8.98 Favored 'General case' 0 C--N 1.362 1.141 0 O-C-N 120.842 -1.161 . . . . 4.25 108.915 -178.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 44.6 p90 -115.37 142.68 46.37 Favored 'General case' 0 N--CA 1.441 -0.925 0 C-N-CA 127.089 2.156 . . . . 5.9000000000000004 107.611 -178.17 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -150.5 121.82 7.85 Favored 'General case' 0 CA--C 1.497 -1.066 0 N-CA-C 102.466 -3.161 . . . . 1.28 102.466 -173.121 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 26.1 p -87.23 167.48 14.07 Favored 'General case' 0 C--N 1.366 1.305 0 C-N-CA 127.406 2.282 . . . . 2.04 110.008 -170.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.48 -35.53 16.3 Favored Pre-proline 0 C--N 1.366 1.32 0 N-CA-C 120.059 3.355 . . . . 1.23 120.059 -172.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -67.69 -31.07 33.5 Favored 'Trans proline' 0 C--N 1.362 1.237 0 C-N-CA 124.318 3.345 . . . . 1.3899999999999999 115.281 173.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -100.15 -21.23 15.62 Favored 'General case' 0 C--N 1.363 1.162 0 C-N-CA 126.559 1.943 . . . . 1.72 114.4 177.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 35.4 ttm180 -79.58 -41.98 25.99 Favored 'General case' 0 C--N 1.373 1.606 0 C-N-CA 127.063 2.145 . . . . 3.04 111.282 -178.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -81.38 -20.43 40.54 Favored 'General case' 0 C--N 1.369 1.433 0 C-N-CA 126.995 2.118 . . . . 1.8600000000000001 112.224 -177.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 47.9 t-80 -81.65 -27.16 34.24 Favored 'General case' 0 C--N 1.366 1.286 0 C-N-CA 128.225 2.61 . . . . 2.0099999999999998 111.634 175.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -75.3 -32.12 60.89 Favored 'General case' 0 C--N 1.369 1.433 0 C-N-CA 128.169 2.588 . . . . 1.1899999999999999 112.488 172.032 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.27 -25.96 36.14 Favored 'General case' 0 C--N 1.364 1.223 0 C-N-CA 127.727 2.411 . . . . 1.0700000000000001 113.021 177.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 69.5 m -85.15 -27.1 26.43 Favored 'General case' 0 C--N 1.359 1.007 0 C-N-CA 125.955 1.702 . . . . 1.03 113.085 173.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.0 tt -72.89 -40.49 65.53 Favored 'General case' 0 C--N 1.363 1.183 0 C-N-CA 127.774 2.43 . . . . 2.3500000000000001 112.581 175.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.3 pt -106.0 -17.27 7.72 Favored 'Isoleucine or valine' 0 C--N 1.365 1.252 0 C-N-CA 123.812 0.845 . . . . 1.0900000000000001 111.887 -173.296 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 22.8 tpt180 91.22 61.86 0.0 OUTLIER 'General case' 0 C--N 1.374 1.631 0 C-N-CA 129.436 3.094 . . . . 3.6099999999999999 114.377 163.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 68.8 mt -131.83 -168.08 1.97 Allowed 'General case' 0 C--N 1.365 1.252 0 O-C-N 121.239 -0.913 . . . . 1.1799999999999999 111.425 -178.405 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 64.4 p -98.32 147.6 33.35 Favored Pre-proline 0 C--N 1.371 1.511 0 C-N-CA 128.066 2.546 . . . . 1.4099999999999999 108.803 175.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_exo -61.83 -18.46 60.98 Favored 'Trans proline' 0 C--N 1.366 1.454 1 C-N-CA 126.171 4.58 . . . . 1.0600000000000001 116.576 172.58 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.6 t -88.25 -30.84 19.38 Favored 'General case' 0 C--N 1.365 1.247 0 C-N-CA 126.683 1.993 . . . . 1.1299999999999999 111.332 -176.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -83.12 -31.44 27.23 Favored 'General case' 0 C--N 1.371 1.535 0 CA-C-N 119.845 1.202 . . . . 1.04 112.161 178.159 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.1 p -67.69 -42.0 85.97 Favored 'Isoleucine or valine' 0 C--N 1.382 1.993 0 C-N-CA 124.237 1.015 . . . . 1.0900000000000001 112.907 169.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.08 -48.66 73.22 Favored 'General case' 0 C--N 1.372 1.555 0 C-N-CA 127.075 2.15 . . . . 1.74 115.781 172.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.288 5.9 mt -86.56 -8.48 11.08 Favored 'Isoleucine or valine' 0 C--N 1.366 1.305 0 N-CA-C 114.961 1.467 . . . . 1.3200000000000001 114.961 -178.511 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 34.1 t90 -74.28 -42.65 59.23 Favored 'General case' 0 C--N 1.379 1.866 0 CA-C-N 120.097 1.317 . . . . 0.34000000000000002 111.325 166.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -83.64 -10.88 57.91 Favored 'General case' 0 C--N 1.368 1.377 0 C-N-CA 126.166 1.786 . . . . 0.46000000000000002 113.766 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -76.58 -42.1 43.92 Favored 'General case' 0 C--N 1.359 0.984 0 C-N-CA 127.345 2.258 . . . . 1.3400000000000001 112.294 170.301 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -91.69 -23.13 19.9 Favored 'General case' 0 C--N 1.366 1.31 0 C-N-CA 125.71 1.604 . . . . 0.85999999999999999 113.9 -173.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 2.3 m80 . . . . . 0 C--N 1.364 1.234 0 N-CA-C 115.457 1.651 . . . . 2.3900000000000001 115.457 -175.208 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 13.3 m . . . . . 0 N--CA 1.472 0.631 0 N-CA-C 115.974 1.842 . . . . 1.3100000000000001 115.974 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 50.1 pttt -78.59 6.33 8.96 Favored 'General case' 0 C--N 1.373 1.599 0 C-N-CA 127.502 2.321 . . . . 3.73 115.417 -173.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.31 -52.47 5.87 Favored 'General case' 0 C--N 1.361 1.082 0 C-N-CA 127.195 2.198 . . . . 1.1299999999999999 110.847 160.402 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 44.4 mm-40 -66.64 -50.28 63.47 Favored 'General case' 0 C--N 1.375 1.706 0 C-N-CA 128.804 2.841 . . . . 0.85999999999999999 113.494 -177.018 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 59.9 p -70.48 -35.2 73.14 Favored 'General case' 0 C--N 1.366 1.298 0 C-N-CA 126.953 2.101 . . . . 1.1200000000000001 113.26 -178.049 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 51.8 t80 -64.44 -49.74 70.27 Favored 'General case' 0 C--N 1.367 1.361 0 C-N-CA 127.748 2.419 . . . . 1.22 113.273 178.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -74.4 -34.75 63.37 Favored 'General case' 0 C--N 1.358 0.958 0 N-CA-C 115.326 1.602 . . . . 1.3100000000000001 115.326 -176.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 90.3 mt -70.79 -43.36 68.86 Favored 'General case' 0 C--N 1.363 1.164 0 C-N-CA 126.1 1.76 . . . . 1.0900000000000001 114.486 177.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 75.9 mt-10 -69.34 -32.62 71.83 Favored 'General case' 0 C--N 1.363 1.191 0 C-N-CA 127.222 2.209 . . . . 1.6599999999999999 115.404 173.286 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.8 ptm180 -79.04 -27.01 43.13 Favored 'General case' 0 C--N 1.369 1.431 0 N-CA-C 115.016 1.487 . . . . 2.54 115.016 -178.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 38.0 mmm-85 -76.18 -30.25 57.98 Favored 'General case' 0 C--N 1.368 1.407 0 C-N-CA 124.158 0.983 . . . . 2.54 112.334 164.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -68.1 -34.23 76.01 Favored 'General case' 0 C--N 1.375 1.708 0 C-N-CA 126.879 2.072 . . . . 0.82999999999999996 114.037 -174.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 45.6 mmt-85 -77.24 -21.44 53.74 Favored 'General case' 0 C--N 1.364 1.203 0 C-N-CA 125.454 1.502 . . . . 4.5700000000000003 114.766 178.12 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 65.3 tp60 -94.04 -27.99 15.99 Favored 'General case' 0 N--CA 1.433 -1.315 0 C-N-CA 128.344 2.657 . . . . 2.5299999999999998 112.53 178.391 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -171.15 152.83 3.53 Favored 'General case' 0 C--N 1.367 1.362 0 N-CA-C 107.024 -1.473 . . . . 2.04 107.024 -168.066 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 23.8 mmt85 -105.07 -34.62 7.91 Favored 'General case' 0 C--N 1.361 1.099 0 C-N-CA 125.122 1.369 . . . . 4.25 110.369 -177.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 52.9 m-85 -122.89 139.74 53.72 Favored 'General case' 0 C--N 1.356 0.888 0 C-N-CA 125.379 1.471 . . . . 5.9000000000000004 107.576 179.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -144.47 122.21 11.9 Favored 'General case' 0 CA--C 1.502 -0.894 0 N-CA-C 102.455 -3.165 . . . . 1.28 102.455 -169.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 25.6 p -86.8 165.85 15.68 Favored 'General case' 0 C--N 1.366 1.293 0 C-N-CA 127.73 2.412 . . . . 2.04 110.724 -170.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.63 -37.27 15.98 Favored Pre-proline 0 C--N 1.367 1.333 0 N-CA-C 120.683 3.586 . . . . 1.23 120.683 -170.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -67.7 -29.79 35.42 Favored 'Trans proline' 0 C--N 1.361 1.19 0 C-N-CA 124.337 3.358 . . . . 1.3899999999999999 115.006 175.082 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -102.22 -21.04 14.44 Favored 'General case' 0 C--N 1.361 1.094 0 C-N-CA 126.605 1.962 . . . . 1.72 114.603 177.363 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 43.0 ttp180 -80.66 -41.67 23.41 Favored 'General case' 0 C--N 1.372 1.576 0 C-N-CA 126.453 1.901 . . . . 3.04 112.059 -178.439 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -80.42 -22.07 41.56 Favored 'General case' 0 C--N 1.367 1.344 0 C-N-CA 127.402 2.281 . . . . 1.8600000000000001 111.861 -178.432 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 21.2 t60 -82.53 -26.23 32.68 Favored 'General case' 0 C--N 1.367 1.333 0 C-N-CA 127.84 2.456 . . . . 2.0099999999999998 111.299 177.282 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -75.8 -31.65 59.54 Favored 'General case' 0 C--N 1.368 1.398 0 C-N-CA 128.423 2.689 . . . . 1.1899999999999999 112.07 172.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.32 -28.53 42.15 Favored 'General case' 0 C--N 1.365 1.28 0 C-N-CA 128.067 2.547 . . . . 1.0700000000000001 113.21 177.042 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 70.4 m -85.21 -25.06 27.57 Favored 'General case' 0 C--N 1.361 1.083 0 C-N-CA 126.053 1.741 . . . . 1.03 113.414 174.443 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -73.71 -41.52 62.46 Favored 'General case' 0 C--N 1.362 1.11 0 C-N-CA 127.628 2.371 . . . . 2.3500000000000001 112.231 175.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.3 pt -105.64 -15.31 8.62 Favored 'Isoleucine or valine' 0 C--N 1.364 1.239 0 C-N-CA 123.768 0.827 . . . . 1.0900000000000001 112.577 -171.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 7.9 tpp180 85.19 65.42 0.01 OUTLIER 'General case' 0 C--N 1.372 1.555 0 C-N-CA 128.748 2.819 . . . . 3.6099999999999999 114.057 171.161 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 92.0 mt -136.25 -172.8 3.23 Favored 'General case' 0 C--N 1.363 1.173 0 O-C-N 121.436 -0.79 . . . . 1.1799999999999999 109.485 175.087 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 81.9 p -94.48 147.21 32.87 Favored Pre-proline 0 C--N 1.371 1.521 0 C-N-CA 127.876 2.47 . . . . 1.4099999999999999 108.758 177.036 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_exo -60.98 -21.62 71.98 Favored 'Trans proline' 0 C--N 1.364 1.344 1 C-N-CA 126.226 4.617 . . . . 1.0600000000000001 116.52 172.659 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.4 t -88.45 -29.03 20.48 Favored 'General case' 0 C--N 1.366 1.311 0 C-N-CA 125.99 1.716 . . . . 1.1299999999999999 111.281 -175.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -82.6 -32.23 28.51 Favored 'General case' 0 C--N 1.372 1.55 0 CA-C-N 119.672 1.124 . . . . 1.04 112.513 177.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.9 p -68.29 -42.35 84.38 Favored 'Isoleucine or valine' 0 C--N 1.38 1.901 0 C-N-CA 125.158 1.383 . . . . 1.0900000000000001 112.708 172.641 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.31 -49.91 72.96 Favored 'General case' 0 C--N 1.372 1.577 0 C-N-CA 128.409 2.684 . . . . 1.74 114.105 172.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.285 6.1 mt -85.44 -5.28 9.66 Favored 'Isoleucine or valine' 0 C--N 1.367 1.33 0 N-CA-C 115.078 1.51 . . . . 1.3200000000000001 115.078 -179.589 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 28.9 t90 -74.43 -43.17 57.43 Favored 'General case' 0 C--N 1.378 1.837 0 C-N-CA 125.586 1.554 . . . . 0.34000000000000002 110.762 166.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -83.14 -15.64 49.92 Favored 'General case' 0 C--N 1.37 1.488 0 C-N-CA 125.703 1.601 . . . . 0.46000000000000002 113.663 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -76.22 -36.96 58.33 Favored 'General case' 0 C--N 1.364 1.204 0 C-N-CA 127.354 2.261 . . . . 1.3400000000000001 112.32 174.473 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 72.5 m-20 -89.26 -21.48 23.19 Favored 'General case' 0 C--N 1.365 1.241 0 C-N-CA 126.446 1.898 . . . . 0.85999999999999999 113.292 -177.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 1.2 m80 . . . . . 0 C--N 1.365 1.254 0 N-CA-C 115.879 1.807 . . . . 2.3900000000000001 115.879 -172.44 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 30.1 m . . . . . 0 CA--C 1.522 -0.116 0 N-CA-C 106.72 -1.585 . . . . 1.3100000000000001 106.72 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.14 -11.85 60.17 Favored 'General case' 0 C--N 1.367 1.354 0 C-N-CA 127.028 2.131 . . . . 3.73 116.608 -168.076 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -80.22 -36.17 35.13 Favored 'General case' 0 C--N 1.365 1.278 0 C-N-CA 126.536 1.935 . . . . 1.1299999999999999 112.584 172.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 45.6 mm-40 -77.44 -42.96 34.08 Favored 'General case' 0 C--N 1.368 1.38 0 C-N-CA 127.879 2.472 . . . . 0.85999999999999999 111.111 -173.409 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 82.0 p -70.41 -35.17 73.28 Favored 'General case' 0 C--N 1.371 1.513 0 C-N-CA 127.181 2.193 . . . . 1.1200000000000001 112.447 178.535 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -62.79 -50.84 69.43 Favored 'General case' 0 C--N 1.372 1.562 0 C-N-CA 128.906 2.882 . . . . 1.22 112.959 177.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -74.04 -37.49 64.3 Favored 'General case' 0 C--N 1.359 0.982 0 C-N-CA 125.905 1.682 . . . . 1.3100000000000001 115.377 -175.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 80.6 mt -67.85 -44.58 76.84 Favored 'General case' 0 C--N 1.368 1.389 0 C-N-CA 126.104 1.761 . . . . 1.0900000000000001 114.255 177.183 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -68.29 -30.32 69.3 Favored 'General case' 0 C--N 1.364 1.213 0 C-N-CA 126.36 1.864 . . . . 1.6599999999999999 114.784 173.466 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . 0.312 3.6 ptm180 -72.14 -49.2 37.77 Favored 'General case' 0 C--N 1.373 1.6 0 N-CA-C 116.228 1.936 . . . . 2.54 116.228 -179.664 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.489 0.0 OUTLIER -86.0 13.05 8.16 Favored 'General case' 0 C--N 1.378 1.81 0 N-CA-C 115.282 1.586 . . . . 2.54 115.282 169.85 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -84.75 -40.29 17.45 Favored 'General case' 0 C--N 1.381 1.975 0 N-CA-C 115.656 1.725 . . . . 0.82999999999999996 115.656 152.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 26.4 mmt-85 -82.46 -32.59 28.84 Favored 'General case' 0 C--N 1.367 1.359 0 CA-C-N 120.288 1.404 . . . . 4.5700000000000003 114.48 -170.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -96.95 -7.69 32.54 Favored 'General case' 0 C--N 1.367 1.35 0 C-N-CA 124.884 1.274 . . . . 2.5299999999999998 112.428 -179.277 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -168.42 152.79 6.05 Favored 'General case' 0 C--N 1.363 1.164 0 N-CA-C 105.541 -2.022 . . . . 2.04 105.541 -176.376 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 89.5 mtt-85 -104.21 -33.09 8.82 Favored 'General case' 0 C--N 1.361 1.072 0 C-N-CA 124.73 1.212 . . . . 4.25 108.87 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 33.6 p90 -105.87 137.89 42.99 Favored 'General case' 0 N--CA 1.441 -0.921 0 C-N-CA 127.701 2.401 . . . . 5.9000000000000004 108.281 176.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -149.81 112.76 4.84 Favored 'General case' 0 CA--C 1.502 -0.903 1 N-CA-C 98.793 -4.521 . . . . 1.28 98.793 -173.562 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 27.3 p -91.57 170.65 9.76 Favored 'General case' 0 C--N 1.372 1.551 0 C-N-CA 126.81 2.044 . . . . 2.04 108.574 -163.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.91 -37.77 44.57 Favored Pre-proline 0 C--N 1.366 1.298 0 N-CA-C 119.466 3.136 . . . . 1.23 119.466 -172.308 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_exo -68.9 -18.93 40.94 Favored 'Trans proline' 0 C--N 1.361 1.226 0 C-N-CA 124.607 3.538 . . . . 1.3899999999999999 115.844 170.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -110.81 -25.63 9.78 Favored 'General case' 0 C--N 1.362 1.151 0 C-N-CA 126.584 1.954 . . . . 1.72 115.72 177.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 38.0 ttm180 -79.85 -41.45 26.29 Favored 'General case' 0 C--N 1.372 1.579 0 C-N-CA 128.546 2.738 . . . . 3.04 110.417 178.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -84.35 -22.66 30.48 Favored 'General case' 0 C--N 1.371 1.535 0 C-N-CA 126.064 1.746 . . . . 1.8600000000000001 112.412 -177.221 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 47.5 t-80 -85.06 -22.66 28.88 Favored 'General case' 0 C--N 1.365 1.27 0 C-N-CA 127.905 2.482 . . . . 2.0099999999999998 111.194 177.547 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -70.55 -37.71 74.07 Favored 'General case' 0 C--N 1.366 1.304 0 C-N-CA 129.277 3.031 . . . . 1.1899999999999999 112.092 168.433 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -77.22 -27.41 53.43 Favored 'General case' 0 C--N 1.362 1.137 0 C-N-CA 128.089 2.556 . . . . 1.0700000000000001 113.746 176.344 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 60.0 m -85.23 -30.93 23.45 Favored 'General case' 0 C--N 1.36 1.057 0 C-N-CA 125.454 1.502 . . . . 1.03 113.893 175.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 39.8 tp -78.77 -33.61 46.25 Favored 'General case' 0 C--N 1.362 1.15 0 C-N-CA 126.926 2.09 . . . . 2.3500000000000001 112.271 179.171 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -100.3 -21.41 5.13 Favored 'Isoleucine or valine' 0 C--N 1.367 1.353 0 C-N-CA 124.335 1.054 . . . . 1.0900000000000001 111.173 -176.666 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 21.1 tpt180 91.5 60.43 0.0 OUTLIER 'General case' 0 C--N 1.373 1.597 0 C-N-CA 129.25 3.02 . . . . 3.6099999999999999 113.961 163.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 73.2 mt -131.41 -164.9 1.5 Allowed 'General case' 0 C--N 1.362 1.131 0 C-N-CA 124.103 0.961 . . . . 1.1799999999999999 109.983 178.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 70.2 p -99.16 147.17 32.9 Favored Pre-proline 0 C--N 1.369 1.429 0 C-N-CA 127.449 2.3 . . . . 1.4099999999999999 108.906 174.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -60.99 -18.85 60.08 Favored 'Trans proline' 0 C--N 1.365 1.397 1 C-N-CA 126.21 4.607 . . . . 1.0600000000000001 116.897 170.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.8 t -88.34 -28.83 20.75 Favored 'General case' 0 C--N 1.365 1.24 0 C-N-CA 127.036 2.135 . . . . 1.1299999999999999 111.29 -177.242 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -84.56 -31.51 24.34 Favored 'General case' 0 C--N 1.373 1.592 0 CA-C-N 119.938 1.245 . . . . 1.04 112.363 177.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.7 p -67.03 -41.77 87.71 Favored 'Isoleucine or valine' 0 C--N 1.383 2.055 0 C-N-CA 124.348 1.059 . . . . 1.0900000000000001 112.52 168.42 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.14 -49.12 72.6 Favored 'General case' 0 C--N 1.368 1.408 0 C-N-CA 126.876 2.07 . . . . 1.74 115.868 172.678 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.303 6.5 mt -86.88 -7.19 10.89 Favored 'Isoleucine or valine' 0 C--N 1.367 1.361 0 N-CA-C 115.496 1.665 . . . . 1.3200000000000001 115.496 -178.278 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 50.7 t90 -73.94 -41.86 61.42 Favored 'General case' 0 C--N 1.377 1.795 0 CA-C-N 119.872 1.215 . . . . 0.34000000000000002 110.884 164.278 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -82.11 -18.64 42.26 Favored 'General case' 0 C--N 1.368 1.389 0 C-N-CA 126.301 1.84 . . . . 0.46000000000000002 113.379 179.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -75.69 -36.67 59.97 Favored 'General case' 0 C--N 1.368 1.39 0 C-N-CA 127.5 2.32 . . . . 1.3400000000000001 112.55 177.186 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -88.01 -17.68 30.65 Favored 'General case' 0 C--N 1.363 1.187 0 C-N-CA 126.326 1.85 . . . . 0.85999999999999999 113.077 179.608 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 2.0 m80 . . . . . 0 C--N 1.365 1.269 0 C-N-CA 125.981 1.712 . . . . 2.3900000000000001 114.439 -175.1 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.0 m . . . . . 0 N--CA 1.465 0.316 0 N-CA-C 110.764 -0.087 . . . . 1.3100000000000001 110.764 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.8 3.27 14.67 Favored 'General case' 0 C--N 1.37 1.458 0 C-N-CA 127.369 2.268 . . . . 3.73 116.604 -167.683 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.2 -49.08 8.51 Favored 'General case' 0 C--N 1.362 1.11 0 C-N-CA 126.362 1.865 . . . . 1.1299999999999999 111.723 162.43 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 52.1 mm-40 -75.96 -44.18 41.14 Favored 'General case' 0 C--N 1.367 1.348 0 C-N-CA 128.281 2.632 . . . . 0.85999999999999999 112.653 -170.146 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 60.0 p -75.18 -29.01 60.27 Favored 'General case' 0 C--N 1.37 1.489 0 C-N-CA 127.416 2.286 . . . . 1.1200000000000001 112.021 -178.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -66.14 -49.87 65.95 Favored 'General case' 0 C--N 1.368 1.403 0 C-N-CA 128.338 2.655 . . . . 1.22 112.374 176.472 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 -72.92 -36.84 67.34 Favored 'General case' 0 C--N 1.362 1.15 0 N-CA-C 115.37 1.618 . . . . 1.3100000000000001 115.37 -177.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 96.3 mt -70.47 -41.8 72.27 Favored 'General case' 0 C--N 1.362 1.131 0 C-N-CA 125.545 1.538 . . . . 1.0900000000000001 114.916 178.397 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -71.57 -32.59 68.26 Favored 'General case' 0 C--N 1.363 1.178 0 C-N-CA 125.998 1.719 . . . . 1.6599999999999999 115.054 174.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.9 ptm180 -75.78 -41.16 53.73 Favored 'General case' 0 C--N 1.373 1.609 0 N-CA-C 114.706 1.373 . . . . 2.54 114.706 -177.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.515 1.7 ptm180 -86.31 5.41 34.71 Favored 'General case' 0 C--N 1.368 1.371 0 N-CA-C 115.426 1.639 . . . . 2.54 115.426 170.765 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -82.5 -38.68 23.52 Favored 'General case' 0 C--N 1.376 1.741 0 C-N-CA 126.258 1.823 . . . . 0.82999999999999996 114.568 155.409 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 35.0 mmt-85 -78.33 -38.24 42.63 Favored 'General case' 0 C--N 1.369 1.425 0 C-N-CA 125.785 1.634 . . . . 4.5700000000000003 113.288 -174.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 66.9 tp60 -90.09 -25.0 20.98 Favored 'General case' 0 N--CA 1.434 -1.245 0 C-N-CA 127.758 2.423 . . . . 2.5299999999999998 112.439 -174.093 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -157.39 152.08 25.4 Favored 'General case' 0 C--N 1.365 1.259 0 N-CA-C 108.235 -1.024 . . . . 2.04 108.235 -173.058 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 78.5 mtt-85 -105.82 -37.24 6.76 Favored 'General case' 0 C--N 1.36 1.054 0 C-N-CA 126.509 1.924 . . . . 4.25 112.704 -179.355 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -86.41 -20.2 28.55 Favored 'General case' 0 C--N 1.36 1.04 0 C-N-CA 128.374 2.67 . . . . 5.9000000000000004 115.627 -144.01 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . 0.384 0.0 OUTLIER -33.92 104.21 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.823 1 C-N-CA 132.743 4.417 . . . . 1.28 115.667 -167.961 . . . . . . . . 4 3 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 27.5 p -94.01 169.49 10.23 Favored 'General case' 0 C--N 1.366 1.284 0 C-N-CA 128.923 2.889 . . . . 2.04 109.225 -167.488 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -46.78 -36.2 6.57 Favored Pre-proline 0 C--N 1.367 1.352 0 N-CA-C 120.745 3.609 . . . . 1.23 120.745 -173.579 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -67.1 -30.57 38.28 Favored 'Trans proline' 0 C--N 1.359 1.098 0 C-N-CA 124.283 3.322 . . . . 1.3899999999999999 115.138 173.208 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -104.54 -22.07 13.33 Favored 'General case' 0 C--N 1.363 1.177 0 C-N-CA 126.421 1.888 . . . . 1.72 114.925 178.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 58.1 ttp85 -80.79 -37.08 30.87 Favored 'General case' 0 C--N 1.375 1.703 0 C-N-CA 126.791 2.036 . . . . 3.04 110.926 179.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -82.52 -21.56 35.37 Favored 'General case' 0 C--N 1.373 1.623 0 C-N-CA 126.165 1.786 . . . . 1.8600000000000001 112.787 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 45.0 t-80 -81.58 -25.35 35.84 Favored 'General case' 0 C--N 1.364 1.236 0 C-N-CA 128.183 2.593 . . . . 2.0099999999999998 111.108 176.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -71.75 -36.83 70.55 Favored 'General case' 0 C--N 1.367 1.369 0 C-N-CA 128.827 2.851 . . . . 1.1899999999999999 112.636 169.294 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -77.35 -26.53 52.08 Favored 'General case' 0 C--N 1.362 1.142 0 C-N-CA 127.566 2.346 . . . . 1.0700000000000001 113.628 178.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 64.2 m -85.15 -28.69 25.35 Favored 'General case' 0 C--N 1.361 1.077 0 C-N-CA 126.155 1.782 . . . . 1.03 113.227 173.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 45.4 tp -77.4 -35.93 53.84 Favored 'General case' 0 C--N 1.363 1.195 0 C-N-CA 127.261 2.224 . . . . 2.3500000000000001 112.496 177.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.4 pt -101.45 -21.64 5.05 Favored 'Isoleucine or valine' 0 C--N 1.367 1.343 0 C-N-CA 124.327 1.051 . . . . 1.0900000000000001 111.476 -175.483 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 23.8 tpt180 83.2 66.15 0.02 OUTLIER 'General case' 0 C--N 1.372 1.553 0 C-N-CA 128.875 2.87 . . . . 3.6099999999999999 113.954 172.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 76.1 mt -136.0 -173.06 3.28 Favored 'General case' 0 C--N 1.36 1.041 0 N-CA-C 108.161 -1.052 . . . . 1.1799999999999999 108.161 172.577 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 61.9 p -90.21 146.25 34.42 Favored Pre-proline 0 C--N 1.372 1.549 0 C-N-CA 126.584 1.953 . . . . 1.4099999999999999 109.428 178.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -58.31 -22.39 57.51 Favored 'Trans proline' 0 C--N 1.363 1.311 1 C-N-CA 126.384 4.722 . . . . 1.0600000000000001 117.341 171.097 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.8 t -89.32 -28.27 19.96 Favored 'General case' 0 C--N 1.366 1.287 0 C-N-CA 125.553 1.541 . . . . 1.1299999999999999 111.354 -176.044 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -82.37 -31.7 29.61 Favored 'General case' 0 C--N 1.372 1.583 0 CA-C-N 119.662 1.119 . . . . 1.04 112.231 177.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.1 p -70.69 -42.88 77.81 Favored 'Isoleucine or valine' 0 C--N 1.378 1.839 0 C-N-CA 124.775 1.23 . . . . 1.0900000000000001 113.167 171.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -55.92 -49.73 72.66 Favored 'General case' 0 C--N 1.377 1.793 0 C-N-CA 127.613 2.365 . . . . 1.74 114.53 174.06 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.273 7.4 mt -88.52 -6.4 10.74 Favored 'Isoleucine or valine' 0 C--N 1.363 1.168 0 N-CA-C 114.378 1.251 . . . . 1.3200000000000001 114.378 -176.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 33.2 t90 -75.37 -42.14 54.72 Favored 'General case' 0 C--N 1.381 1.955 0 C-N-CA 125.685 1.594 . . . . 0.34000000000000002 110.821 167.22 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -82.35 -14.09 55.86 Favored 'General case' 0 C--N 1.368 1.409 0 C-N-CA 126.812 2.045 . . . . 0.46000000000000002 113.398 -179.024 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -76.98 -43.14 36.11 Favored 'General case' 0 C--N 1.36 1.061 0 C-N-CA 127.635 2.374 . . . . 1.3400000000000001 111.85 171.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 -94.58 -15.82 23.75 Favored 'General case' 0 C--N 1.362 1.136 0 C-N-CA 126.629 1.972 . . . . 0.85999999999999999 114.151 -168.166 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 9.0 m80 . . . . . 0 C--N 1.362 1.149 0 C-N-CA 126.07 1.748 . . . . 2.3900000000000001 113.629 172.805 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 29.3 m . . . . . 0 CA--C 1.516 -0.362 0 N-CA-C 108.458 -0.942 . . . . 1.3100000000000001 108.458 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 68.1 mttt -83.38 15.98 2.75 Favored 'General case' 0 C--N 1.372 1.549 0 C-N-CA 126.543 1.937 . . . . 3.73 115.809 -163.647 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.47 -51.11 6.75 Favored 'General case' 0 C--N 1.361 1.09 0 C-N-CA 125.982 1.713 . . . . 1.1299999999999999 111.94 153.609 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 39.2 mm-40 -79.41 -49.67 11.99 Favored 'General case' 0 C--N 1.368 1.405 0 C-N-CA 128.734 2.814 . . . . 0.85999999999999999 111.926 -167.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 79.7 p -64.14 -36.68 84.82 Favored 'General case' 0 C--N 1.375 1.71 0 C-N-CA 128.301 2.64 . . . . 1.1200000000000001 112.295 177.297 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 53.1 t80 -59.84 -59.08 6.01 Favored 'General case' 0 C--N 1.369 1.452 0 C-N-CA 129.02 2.928 . . . . 1.22 112.804 177.517 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -68.11 -34.27 76.08 Favored 'General case' 0 C--N 1.368 1.383 0 N-CA-C 115.404 1.631 . . . . 1.3100000000000001 115.404 -175.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 97.7 mt -67.85 -37.74 82.25 Favored 'General case' 0 C--N 1.363 1.186 0 C-N-CA 127.026 2.131 . . . . 1.0900000000000001 115.868 175.302 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -76.53 -27.42 55.95 Favored 'General case' 0 C--N 1.359 1.007 0 C-N-CA 126.57 1.948 . . . . 1.6599999999999999 114.404 177.08 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.7 mtm180 -71.56 -43.58 66.07 Favored 'General case' 0 C--N 1.372 1.576 0 C-N-CA 123.985 0.914 . . . . 2.54 112.247 175.423 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.314 26.8 mmm-85 -71.53 -22.94 61.71 Favored 'General case' 0 C--N 1.383 2.042 0 N-CA-C 112.568 0.581 . . . . 2.54 112.568 176.619 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 31.0 t80 -70.23 -28.93 65.65 Favored 'General case' 0 C--N 1.376 1.747 0 C-N-CA 128.09 2.556 . . . . 0.82999999999999996 113.991 171.521 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 35.5 mmt-85 -79.89 -21.19 44.29 Favored 'General case' 0 C--N 1.367 1.367 0 C-N-CA 124.956 1.302 . . . . 4.5700000000000003 113.409 178.489 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 64.4 tp60 -93.12 -30.66 15.14 Favored 'General case' 0 N--CA 1.429 -1.5 0 C-N-CA 127.57 2.348 . . . . 2.5299999999999998 112.04 176.317 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -172.58 -179.06 2.08 Favored 'General case' 0 C--N 1.372 1.573 0 CA-C-O 123.085 1.421 . . . . 2.04 109.755 -175.135 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -106.37 -53.56 2.61 Favored 'General case' 0 N--CA 1.438 -1.045 0 C-N-CA 128.838 2.855 . . . . 4.25 109.73 -171.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -121.68 141.02 51.56 Favored 'General case' 0 CA--C 1.498 -1.034 0 C-N-CA 127.353 2.261 . . . . 5.9000000000000004 106.862 -175.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -140.58 124.14 16.99 Favored 'General case' 0 N--CA 1.437 -1.083 0 N-CA-C 102.846 -3.02 . . . . 1.28 102.846 -168.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 9.2 m -82.47 160.27 22.72 Favored 'General case' 0 C--N 1.366 1.301 0 C-N-CA 127.248 2.219 . . . . 2.04 111.566 -173.364 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.65 -36.39 12.33 Favored Pre-proline 0 C--N 1.367 1.357 0 N-CA-C 120.965 3.691 . . . . 1.23 120.965 -168.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_exo -67.76 -28.19 37.06 Favored 'Trans proline' 0 C--N 1.36 1.14 0 C-N-CA 124.147 3.232 . . . . 1.3899999999999999 114.986 175.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.28 0.9 OUTLIER -105.19 -21.55 13.24 Favored 'General case' 0 C--N 1.361 1.077 0 C-N-CA 126.797 2.039 . . . . 1.72 115.042 177.314 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 42.3 ttp180 -77.01 -41.62 41.99 Favored 'General case' 0 C--N 1.375 1.706 0 C-N-CA 126.849 2.06 . . . . 3.04 112.753 177.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -81.85 -20.79 38.24 Favored 'General case' 0 C--N 1.363 1.176 0 C-N-CA 126.982 2.113 . . . . 1.8600000000000001 112.274 -177.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 45.2 t-80 -81.74 -27.84 33.65 Favored 'General case' 0 C--N 1.365 1.277 0 C-N-CA 128.498 2.719 . . . . 2.0099999999999998 111.705 176.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -64.01 -53.47 49.55 Favored 'General case' 0 C--N 1.371 1.526 0 C-N-CA 129.016 2.926 . . . . 1.1899999999999999 111.49 170.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.31 -28.61 69.83 Favored 'General case' 0 C--N 1.356 0.878 0 C-N-CA 130.232 3.413 . . . . 1.0700000000000001 116.487 176.46 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 74.6 m -83.87 -26.99 28.98 Favored 'General case' 0 C--N 1.361 1.073 0 C-N-CA 125.737 1.615 . . . . 1.03 112.964 174.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 33.0 tp -78.41 -35.54 46.94 Favored 'General case' 0 C--N 1.361 1.085 0 C-N-CA 126.948 2.099 . . . . 2.3500000000000001 112.966 175.194 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.2 pt -106.26 -1.71 9.94 Favored 'Isoleucine or valine' 0 C--N 1.368 1.387 0 C-N-CA 125.087 1.355 . . . . 1.0900000000000001 112.258 -174.263 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 81.07 42.13 0.05 OUTLIER 'General case' 0 C--N 1.371 1.533 0 C-N-CA 128.991 2.917 . . . . 3.6099999999999999 115.675 162.089 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 96.8 mt -124.36 -172.4 2.54 Favored 'General case' 0 C--N 1.357 0.909 0 O-C-N 121.31 -0.869 . . . . 1.1799999999999999 109.953 -175.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.408 HG23 ' H ' ' A' ' 51' ' ' THR . 68.9 p -95.75 147.47 33.05 Favored Pre-proline 0 C--N 1.365 1.262 0 C-N-CA 127.624 2.37 . . . . 1.4099999999999999 108.633 179.447 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_exo -58.64 -23.53 66.02 Favored 'Trans proline' 0 C--N 1.363 1.295 1 C-N-CA 126.462 4.775 . . . . 1.0600000000000001 117.104 170.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.408 ' H ' HG23 ' A' ' 49' ' ' THR . 12.2 t -89.43 -30.17 18.52 Favored 'General case' 0 C--N 1.365 1.266 0 C-N-CA 125.898 1.679 . . . . 1.1299999999999999 111.343 -175.355 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -79.35 -34.4 42.16 Favored 'General case' 0 C--N 1.375 1.682 0 CA-C-N 119.727 1.149 . . . . 1.04 111.968 178.048 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 11.5 p -67.37 -46.21 84.14 Favored 'Isoleucine or valine' 0 C--N 1.381 1.952 0 C-N-CA 125.293 1.437 . . . . 1.0900000000000001 113.157 172.426 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.08 -43.76 95.26 Favored 'General case' 0 C--N 1.375 1.679 0 C-N-CA 126.02 1.728 . . . . 1.74 115.084 177.815 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.273 9.0 mt -85.05 -6.21 10.23 Favored 'Isoleucine or valine' 0 C--N 1.368 1.393 0 N-CA-C 114.941 1.46 . . . . 1.3200000000000001 114.941 177.081 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 47.1 t90 -71.74 -41.98 67.82 Favored 'General case' 0 C--N 1.381 1.949 0 C-N-CA 125.283 1.433 . . . . 0.34000000000000002 110.777 164.44 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -81.49 -17.12 49.74 Favored 'General case' 0 C--N 1.369 1.453 0 C-N-CA 126.273 1.829 . . . . 0.46000000000000002 114.272 -179.675 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -77.33 -37.03 53.32 Favored 'General case' 0 C--N 1.362 1.14 0 C-N-CA 127.278 2.231 . . . . 1.3400000000000001 111.648 174.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 64.0 m-20 -90.7 -21.58 21.55 Favored 'General case' 0 C--N 1.364 1.213 0 C-N-CA 126.438 1.895 . . . . 0.85999999999999999 113.458 -176.212 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 1.5 m80 . . . . . 0 C--N 1.367 1.334 0 C-N-CA 125.767 1.627 . . . . 2.3900000000000001 114.926 -175.7 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 17.1 m . . . . . 0 N--CA 1.464 0.24 0 N-CA-C 109.168 -0.679 . . . . 1.3100000000000001 109.168 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 50.8 pttt -78.48 -0.62 30.14 Favored 'General case' 0 C--N 1.367 1.364 0 C-N-CA 126.928 2.091 . . . . 3.73 116.148 -170.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.95 -43.32 14.13 Favored 'General case' 0 C--N 1.363 1.163 0 C-N-CA 126.596 1.959 . . . . 1.1299999999999999 112.133 165.639 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 49.7 mm-40 -73.42 -48.35 34.51 Favored 'General case' 0 C--N 1.367 1.338 0 C-N-CA 129.144 2.978 . . . . 0.85999999999999999 113.07 -174.41 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 69.5 p -72.16 -30.88 65.43 Favored 'General case' 0 C--N 1.372 1.544 0 C-N-CA 127.781 2.432 . . . . 1.1200000000000001 111.93 -178.286 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -60.78 -59.27 5.65 Favored 'General case' 0 C--N 1.373 1.604 0 C-N-CA 128.694 2.798 . . . . 1.22 112.227 173.105 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -67.93 -35.37 78.31 Favored 'General case' 0 C--N 1.368 1.372 0 C-N-CA 126.37 1.868 . . . . 1.3100000000000001 114.861 -174.002 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 89.9 mt -69.99 -43.34 71.65 Favored 'General case' 0 C--N 1.363 1.157 0 C-N-CA 125.906 1.682 . . . . 1.0900000000000001 114.452 177.539 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -71.32 -32.41 68.56 Favored 'General case' 0 C--N 1.364 1.213 0 N-CA-C 115.785 1.772 . . . . 1.6599999999999999 115.785 174.072 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . 0.26 0.0 OUTLIER -78.66 -37.18 42.55 Favored 'General case' 0 C--N 1.371 1.517 0 C-N-CA 124.814 1.245 . . . . 2.54 114.073 -174.267 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.541 3.3 ptm180 -86.28 5.21 35.55 Favored 'General case' 0 C--N 1.365 1.277 0 N-CA-C 117.188 2.292 . . . . 2.54 117.188 164.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 23.4 t80 -83.89 -40.52 18.51 Favored 'General case' 0 C--N 1.372 1.569 0 CA-C-N 120.128 1.331 . . . . 0.82999999999999996 114.467 154.403 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 13.4 mmt85 -75.95 -33.4 59.81 Favored 'General case' 0 C--N 1.368 1.407 0 C-N-CA 126.932 2.093 . . . . 4.5700000000000003 113.318 -174.104 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 65.3 tp60 -90.9 -26.5 19.3 Favored 'General case' 0 N--CA 1.433 -1.309 0 C-N-CA 127.742 2.417 . . . . 2.5299999999999998 112.246 -176.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -162.11 150.39 14.84 Favored 'General case' 0 C--N 1.366 1.306 0 N-CA-C 108.544 -0.91 . . . . 2.04 108.544 -169.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 84.0 mtt-85 -106.04 -37.63 6.56 Favored 'General case' 0 C--N 1.359 0.993 0 C-N-CA 126.656 1.983 . . . . 4.25 112.775 -178.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 2.5 p90 -82.39 -17.06 46.82 Favored 'General case' 0 C--N 1.359 0.993 0 C-N-CA 128.795 2.838 . . . . 5.9000000000000004 117.891 -150.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . 0.391 0.0 OUTLIER -34.32 103.95 0.03 OUTLIER 'General case' 0 N--CA 1.501 2.122 1 C-N-CA 132.767 4.427 . . . . 1.28 115.137 -178.247 . . . . . . . . 4 3 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 25.4 p -109.79 170.59 7.97 Favored 'General case' 0 C--N 1.363 1.167 0 C-N-CA 127.956 2.502 . . . . 2.04 107.497 -167.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . 0.256 . . -37.06 -41.46 0.75 Allowed Pre-proline 0 C--N 1.368 1.396 1 N-CA-C 122.077 4.103 . . . . 1.23 122.077 -169.567 . . . . . . . . 3 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -67.81 -29.27 35.52 Favored 'Trans proline' 0 C--N 1.36 1.134 0 C-N-CA 124.258 3.305 . . . . 1.3899999999999999 115.081 175.486 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -105.45 -26.82 11.77 Favored 'General case' 0 C--N 1.361 1.068 0 C-N-CA 126.952 2.101 . . . . 1.72 114.965 178.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 44.4 ttp180 -76.51 -39.8 51.98 Favored 'General case' 0 C--N 1.374 1.649 0 C-N-CA 127.476 2.311 . . . . 3.04 112.447 179.54 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -85.08 -20.09 30.91 Favored 'General case' 0 C--N 1.367 1.337 0 C-N-CA 124.879 1.271 . . . . 1.8600000000000001 112.209 -178.413 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 46.2 t-80 -78.11 -24.33 47.53 Favored 'General case' 0 C--N 1.369 1.442 0 C-N-CA 128.177 2.591 . . . . 2.0099999999999998 112.281 173.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.69 -51.21 66.08 Favored 'General case' 0 C--N 1.371 1.517 0 C-N-CA 129.095 2.958 . . . . 1.1899999999999999 112.234 168.446 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.48 -31.29 71.26 Favored 'General case' 0 C--N 1.358 0.943 0 C-N-CA 128.575 2.75 . . . . 1.0700000000000001 115.875 175.021 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 46.1 m -81.84 -28.95 32.8 Favored 'General case' 0 C--N 1.362 1.141 0 C-N-CA 125.517 1.527 . . . . 1.03 114.086 174.502 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -79.31 -36.46 39.56 Favored 'General case' 0 C--N 1.362 1.117 0 C-N-CA 127.719 2.407 . . . . 2.3500000000000001 112.01 179.43 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.8 pt -99.8 -12.51 8.41 Favored 'Isoleucine or valine' 0 C--N 1.367 1.328 0 C-N-CA 125.175 1.39 . . . . 1.0900000000000001 111.684 -175.253 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 15.1 tpp180 84.73 43.59 0.02 OUTLIER 'General case' 0 C--N 1.373 1.609 0 C-N-CA 128.498 2.719 . . . . 3.6099999999999999 113.657 165.273 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 77.7 mt -125.16 -173.31 2.78 Favored 'General case' 0 C--N 1.359 0.997 0 C-N-CA 125.076 1.351 . . . . 1.1799999999999999 108.542 178.299 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.4 HG23 ' H ' ' A' ' 51' ' ' THR . 70.2 p -89.59 143.01 29.87 Favored Pre-proline 0 C--N 1.366 1.294 0 C-N-CA 126.889 2.076 . . . . 1.4099999999999999 109.949 -178.413 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_exo -60.25 -20.73 63.67 Favored 'Trans proline' 0 C--N 1.362 1.288 1 C-N-CA 126.231 4.621 . . . . 1.0600000000000001 116.419 171.456 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.4 ' H ' HG23 ' A' ' 49' ' ' THR . 13.8 t -86.65 -27.44 23.8 Favored 'General case' 0 C--N 1.366 1.293 0 C-N-CA 127.198 2.199 . . . . 1.1299999999999999 111.115 -178.537 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -84.17 -33.65 24.16 Favored 'General case' 0 C--N 1.374 1.633 0 CA-C-N 119.656 1.116 . . . . 1.04 112.785 179.17 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.3 p -66.64 -38.97 82.7 Favored 'Isoleucine or valine' 0 C--N 1.378 1.823 0 C-N-CA 125.192 1.397 . . . . 1.0900000000000001 112.928 168.156 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.2 mmmt -54.11 -51.62 63.61 Favored 'General case' 0 C--N 1.371 1.527 0 C-N-CA 127.263 2.225 . . . . 1.74 115.936 171.261 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.266 6.8 mt -85.96 -8.72 11.17 Favored 'Isoleucine or valine' 0 C--N 1.367 1.342 0 N-CA-C 114.958 1.466 . . . . 1.3200000000000001 114.958 -178.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 39.2 t90 -76.98 -41.88 41.17 Favored 'General case' 0 C--N 1.377 1.782 0 C-N-CA 125.643 1.577 . . . . 0.34000000000000002 110.625 170.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -81.67 -15.26 55.07 Favored 'General case' 0 C--N 1.367 1.339 0 C-N-CA 126.492 1.917 . . . . 0.46000000000000002 112.836 179.246 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -76.85 -40.06 49.07 Favored 'General case' 0 C--N 1.366 1.302 0 C-N-CA 127.806 2.442 . . . . 1.3400000000000001 112.585 172.262 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 70.7 m-20 -87.74 -15.08 38.01 Favored 'General case' 0 C--N 1.365 1.258 0 C-N-CA 126.551 1.941 . . . . 0.85999999999999999 112.796 -176.026 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 20.1 m80 . . . . . 0 C--N 1.363 1.163 0 C-N-CA 126.178 1.791 . . . . 2.3900000000000001 114.274 172.42 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 16.9 m . . . . . 0 CA--C 1.517 -0.318 0 N-CA-C 108.969 -0.752 . . . . 1.3100000000000001 108.969 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.88 0.85 19.38 Favored 'General case' 0 C--N 1.368 1.38 0 N-CA-C 117.061 2.245 . . . . 3.73 117.061 -166.355 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.1 -47.17 10.44 Favored 'General case' 0 C--N 1.36 1.042 0 C-N-CA 126.141 1.776 . . . . 1.1299999999999999 111.648 163.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 42.8 mm-40 -78.48 -43.18 27.67 Favored 'General case' 0 C--N 1.368 1.412 0 C-N-CA 127.679 2.391 . . . . 0.85999999999999999 111.952 -170.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 54.1 p -70.56 -32.39 69.79 Favored 'General case' 0 C--N 1.374 1.666 0 C-N-CA 126.965 2.106 . . . . 1.1200000000000001 112.792 177.059 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -64.74 -49.63 70.06 Favored 'General case' 0 C--N 1.369 1.437 0 C-N-CA 127.789 2.436 . . . . 1.22 112.672 177.077 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -73.99 -35.59 64.45 Favored 'General case' 0 C--N 1.363 1.193 0 N-CA-C 115.482 1.66 . . . . 1.3100000000000001 115.482 -177.099 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 87.5 mt -69.77 -43.35 72.37 Favored 'General case' 0 C--N 1.364 1.214 0 C-N-CA 126.289 1.835 . . . . 1.0900000000000001 114.566 177.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -69.42 -32.68 71.81 Favored 'General case' 0 C--N 1.363 1.179 0 C-N-CA 125.961 1.704 . . . . 1.6599999999999999 114.77 174.094 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.6 ptm180 -80.14 -25.23 39.96 Favored 'General case' 0 C--N 1.372 1.571 0 N-CA-C 115.499 1.666 . . . . 2.54 115.499 -177.383 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.261 40.5 mmm-85 -74.75 -29.72 61.24 Favored 'General case' 0 C--N 1.368 1.404 0 CA-C-O 118.325 -0.845 . . . . 2.54 112.358 164.699 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -66.35 -40.08 89.6 Favored 'General case' 0 C--N 1.379 1.87 0 C-N-CA 126.48 1.912 . . . . 0.82999999999999996 113.655 -178.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.39 -16.05 61.85 Favored 'General case' 0 C--N 1.367 1.359 0 C-N-CA 126.614 1.966 . . . . 4.5700000000000003 114.404 177.777 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 59.7 mm-40 -98.35 -32.69 11.39 Favored 'General case' 0 C--N 1.366 1.312 0 C-N-CA 126.099 1.76 . . . . 2.5299999999999998 113.118 175.483 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -166.67 150.44 7.1 Favored 'General case' 0 C--N 1.367 1.347 0 N-CA-C 105.93 -1.878 . . . . 2.04 105.93 -170.021 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 74.2 mmt-85 -100.13 -34.11 10.18 Favored 'General case' 0 C--N 1.359 1.013 0 C-N-CA 125.042 1.337 . . . . 4.25 109.902 -174.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 49.3 m-85 -122.5 140.35 52.85 Favored 'General case' 0 C--N 1.357 0.931 0 C-N-CA 126.395 1.878 . . . . 5.9000000000000004 106.716 177.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -144.93 121.35 10.98 Favored 'General case' 0 CA--C 1.501 -0.937 0 N-CA-C 102.634 -3.098 . . . . 1.28 102.634 -171.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 28.8 p -89.64 165.37 14.27 Favored 'General case' 0 C--N 1.366 1.309 0 C-N-CA 127.443 2.297 . . . . 2.04 110.361 -170.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.09 -35.8 9.09 Favored Pre-proline 0 C--N 1.366 1.317 0 N-CA-C 120.785 3.624 . . . . 1.23 120.785 -170.258 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_exo -67.45 -31.37 34.45 Favored 'Trans proline' 0 C--N 1.36 1.158 0 C-N-CA 124.279 3.319 . . . . 1.3899999999999999 115.025 174.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -102.83 -20.58 14.25 Favored 'General case' 0 C--N 1.362 1.121 0 C-N-CA 126.482 1.913 . . . . 1.72 114.66 177.442 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 42.5 ttp180 -80.11 -42.0 24.41 Favored 'General case' 0 C--N 1.374 1.667 0 C-N-CA 126.481 1.912 . . . . 3.04 111.72 -179.176 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -80.41 -20.73 43.29 Favored 'General case' 0 C--N 1.367 1.368 0 C-N-CA 126.995 2.118 . . . . 1.8600000000000001 112.083 -178.42 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 47.2 t-80 -80.6 -28.3 37.13 Favored 'General case' 0 C--N 1.367 1.33 0 C-N-CA 128.139 2.576 . . . . 2.0099999999999998 111.661 175.533 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -74.89 -30.74 61.39 Favored 'General case' 0 C--N 1.368 1.395 0 C-N-CA 128.226 2.61 . . . . 1.1899999999999999 112.149 172.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.21 -26.39 35.96 Favored 'General case' 0 C--N 1.364 1.238 0 C-N-CA 127.738 2.415 . . . . 1.0700000000000001 113.011 176.559 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 68.5 m -85.14 -27.42 26.22 Favored 'General case' 0 C--N 1.36 1.052 0 C-N-CA 125.848 1.659 . . . . 1.03 113.063 174.247 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -75.65 -38.67 58.64 Favored 'General case' 0 C--N 1.363 1.177 0 C-N-CA 127.909 2.484 . . . . 2.3500000000000001 112.112 177.455 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.4 pt -103.95 -17.75 7.09 Favored 'Isoleucine or valine' 0 C--N 1.367 1.356 0 C-N-CA 123.888 0.875 . . . . 1.0900000000000001 112.0 -175.044 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 21.3 tpt180 88.18 63.05 0.01 OUTLIER 'General case' 0 C--N 1.371 1.541 0 C-N-CA 129.263 3.025 . . . . 3.6099999999999999 114.375 167.18 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 95.8 mt -135.11 -170.5 2.59 Favored 'General case' 0 C--N 1.363 1.154 0 C-N-CA 124.319 1.047 . . . . 1.1799999999999999 109.811 178.278 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 71.5 p -96.37 147.39 32.88 Favored Pre-proline 0 C--N 1.37 1.487 0 C-N-CA 127.642 2.377 . . . . 1.4099999999999999 108.864 177.09 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -59.47 -19.7 53.06 Favored 'Trans proline' 0 C--N 1.365 1.419 1 C-N-CA 126.416 4.744 . . . . 1.0600000000000001 117.201 171.446 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.6 t -88.86 -31.71 18.15 Favored 'General case' 0 C--N 1.365 1.253 0 C-N-CA 126.427 1.891 . . . . 1.1299999999999999 111.315 -175.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -82.57 -31.01 29.25 Favored 'General case' 0 C--N 1.372 1.563 0 CA-C-N 119.762 1.164 . . . . 1.04 112.156 178.47 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 8.2 p -68.58 -42.44 83.5 Favored 'Isoleucine or valine' 0 C--N 1.381 1.97 0 C-N-CA 124.509 1.123 . . . . 1.0900000000000001 112.538 170.148 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.75 -47.42 73.88 Favored 'General case' 0 C--N 1.37 1.47 0 C-N-CA 126.993 2.117 . . . . 1.74 116.081 172.849 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.288 5.5 mt -86.93 -8.21 11.02 Favored 'Isoleucine or valine' 0 C--N 1.367 1.338 0 N-CA-C 115.11 1.522 . . . . 1.3200000000000001 115.11 -179.839 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 44.9 t90 -72.83 -41.63 64.65 Favored 'General case' 0 C--N 1.378 1.843 0 C-N-CA 125.164 1.385 . . . . 0.34000000000000002 111.226 166.43 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -83.02 -14.43 53.96 Favored 'General case' 0 C--N 1.367 1.35 0 C-N-CA 126.115 1.766 . . . . 0.46000000000000002 113.767 -179.488 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -78.08 -38.2 44.77 Favored 'General case' 0 C--N 1.361 1.071 0 C-N-CA 127.658 2.383 . . . . 1.3400000000000001 112.303 174.104 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -89.89 -18.48 26.08 Favored 'General case' 0 C--N 1.367 1.335 0 C-N-CA 126.201 1.8 . . . . 0.85999999999999999 113.397 -177.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 10.6 m80 . . . . . 0 C--N 1.364 1.225 0 C-N-CA 126.397 1.879 . . . . 2.3900000000000001 115.192 176.64 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 21.9 m . . . . . 0 CA--C 1.52 -0.192 0 N-CA-C 108.701 -0.851 . . . . 1.3100000000000001 108.701 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.0 mtpp -85.02 7.03 22.83 Favored 'General case' 0 C--N 1.369 1.456 0 C-N-CA 127.162 2.185 . . . . 3.73 114.162 -170.062 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.26 -46.81 10.67 Favored 'General case' 0 C--N 1.362 1.117 0 C-N-CA 126.718 2.007 . . . . 1.1299999999999999 111.976 160.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 46.7 mm-40 -73.27 -49.82 25.57 Favored 'General case' 0 C--N 1.37 1.499 0 C-N-CA 128.745 2.818 . . . . 0.85999999999999999 112.892 -171.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 73.3 p -71.52 -28.79 64.13 Favored 'General case' 0 C--N 1.367 1.363 0 C-N-CA 127.475 2.31 . . . . 1.1200000000000001 112.639 -179.294 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 50.1 t80 -66.0 -52.07 52.67 Favored 'General case' 0 C--N 1.369 1.421 0 C-N-CA 128.428 2.691 . . . . 1.22 112.782 176.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -72.07 -37.35 69.65 Favored 'General case' 0 C--N 1.362 1.115 0 N-CA-C 115.321 1.6 . . . . 1.3100000000000001 115.321 -177.501 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 93.4 mt -69.53 -42.2 74.97 Favored 'General case' 0 C--N 1.363 1.193 0 C-N-CA 126.29 1.836 . . . . 1.0900000000000001 114.464 179.125 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -72.71 -33.04 66.18 Favored 'General case' 0 C--N 1.363 1.161 0 C-N-CA 126.28 1.832 . . . . 1.6599999999999999 115.583 173.323 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.9 ptm180 -76.87 -28.91 55.6 Favored 'General case' 0 C--N 1.372 1.586 0 N-CA-C 114.961 1.467 . . . . 2.54 114.961 -176.481 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 17.5 mmt85 -76.32 -32.72 58.86 Favored 'General case' 0 C--N 1.367 1.356 0 C-N-CA 124.019 0.928 . . . . 2.54 112.584 164.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 47.4 t80 -69.67 -29.41 66.85 Favored 'General case' 0 C--N 1.371 1.543 0 CA-C-N 120.41 1.459 . . . . 0.82999999999999996 114.098 -173.015 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 13.1 mmt85 -78.34 -19.38 53.6 Favored 'General case' 0 C--N 1.364 1.236 0 C-N-CA 124.629 1.171 . . . . 4.5700000000000003 113.824 174.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 65.0 tp60 -98.43 -29.22 13.24 Favored 'General case' 0 N--CA 1.432 -1.375 0 C-N-CA 127.811 2.444 . . . . 2.5299999999999998 112.897 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -167.56 157.4 10.5 Favored 'General case' 0 C--N 1.37 1.473 0 CA-C-N 120.153 1.342 . . . . 2.04 108.421 -165.562 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.1 mmt180 -105.95 -35.74 7.2 Favored 'General case' 0 C--N 1.373 1.597 0 C-N-CA 125.159 1.384 . . . . 4.25 108.879 172.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . 1.98 0.0 OUTLIER -88.57 103.44 15.9 Favored 'General case' 0 N--CA 1.432 -1.333 1 C-N-CA 133.748 4.819 . . . . 5.9000000000000004 115.488 -164.846 . . . . . . . . 4 3 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . 0.278 0.0 OUTLIER -140.69 118.26 11.57 Favored 'General case' 0 C--N 1.363 1.157 0 N-CA-C 104.272 -2.492 . . . . 1.28 104.272 179.266 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 25.8 p -89.92 169.98 10.77 Favored 'General case' 0 C--N 1.368 1.396 0 C-N-CA 128.455 2.702 . . . . 2.04 108.996 -171.458 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.39 -35.99 18.81 Favored Pre-proline 0 C--N 1.366 1.296 0 N-CA-C 120.084 3.364 . . . . 1.23 120.084 -172.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -67.44 -26.23 40.99 Favored 'Trans proline' 0 C--N 1.36 1.159 0 C-N-CA 124.384 3.39 . . . . 1.3899999999999999 115.408 172.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -107.5 -22.91 12.37 Favored 'General case' 0 C--N 1.362 1.125 0 C-N-CA 126.296 1.838 . . . . 1.72 115.087 177.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 58.4 ttm-85 -80.19 -41.33 25.48 Favored 'General case' 0 C--N 1.376 1.728 0 CA-C-N 121.45 1.932 . . . . 3.04 111.151 179.283 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -81.14 -22.89 38.7 Favored 'General case' 0 C--N 1.371 1.538 0 C-N-CA 126.266 1.826 . . . . 1.8600000000000001 112.193 -177.144 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 21.6 t60 -82.89 -25.88 32.06 Favored 'General case' 0 C--N 1.366 1.295 0 C-N-CA 127.881 2.473 . . . . 2.0099999999999998 111.146 177.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -76.86 -28.24 55.35 Favored 'General case' 0 C--N 1.368 1.392 0 C-N-CA 128.237 2.615 . . . . 1.1899999999999999 112.216 171.294 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -80.16 -28.82 38.75 Favored 'General case' 0 C--N 1.364 1.201 0 C-N-CA 127.168 2.187 . . . . 1.0700000000000001 112.716 176.012 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 62.7 m -85.12 -26.83 26.64 Favored 'General case' 0 C--N 1.361 1.089 0 C-N-CA 126.22 1.808 . . . . 1.03 113.562 174.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -75.76 -38.91 57.92 Favored 'General case' 0 C--N 1.362 1.14 0 C-N-CA 127.529 2.332 . . . . 2.3500000000000001 112.013 177.168 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.5 pt -100.97 -21.38 5.13 Favored 'Isoleucine or valine' 0 C--N 1.365 1.279 0 C-N-CA 124.13 0.972 . . . . 1.0900000000000001 112.538 -174.273 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 9.3 tpp180 84.24 66.25 0.01 OUTLIER 'General case' 0 C--N 1.372 1.569 0 C-N-CA 129.006 2.922 . . . . 3.6099999999999999 113.472 174.306 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 70.5 mt -139.62 -172.26 3.33 Favored 'General case' 0 C--N 1.359 1.013 0 N-CA-C 107.358 -1.349 . . . . 1.1799999999999999 107.358 172.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 69.2 p -95.67 148.18 34.18 Favored Pre-proline 0 C--N 1.368 1.388 0 C-N-CA 127.294 2.238 . . . . 1.4099999999999999 108.461 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_exo -57.83 -23.36 58.41 Favored 'Trans proline' 0 C--N 1.362 1.259 1 C-N-CA 126.565 4.843 . . . . 1.0600000000000001 117.468 170.541 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.5 t -88.1 -29.11 20.86 Favored 'General case' 0 C--N 1.365 1.263 0 C-N-CA 125.789 1.635 . . . . 1.1299999999999999 111.342 -175.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -83.9 -33.36 24.76 Favored 'General case' 0 C--N 1.37 1.46 0 CA-C-N 119.406 1.003 . . . . 1.04 112.311 179.124 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.5 p -67.23 -41.6 86.91 Favored 'Isoleucine or valine' 0 C--N 1.38 1.897 0 C-N-CA 125.493 1.517 . . . . 1.0900000000000001 113.264 170.443 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.69 -49.02 77.9 Favored 'General case' 0 C--N 1.373 1.591 0 C-N-CA 128.538 2.735 . . . . 1.74 113.868 174.066 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.29 6.3 mt -84.78 -6.02 10.04 Favored 'Isoleucine or valine' 0 C--N 1.366 1.324 0 N-CA-C 115.007 1.484 . . . . 1.3200000000000001 115.007 179.518 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 28.2 t90 -73.54 -42.8 61.25 Favored 'General case' 0 C--N 1.378 1.82 0 C-N-CA 125.412 1.485 . . . . 0.34000000000000002 111.26 165.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -83.24 -14.48 53.14 Favored 'General case' 0 C--N 1.369 1.441 0 C-N-CA 126.222 1.809 . . . . 0.46000000000000002 113.514 -179.611 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -78.87 -38.89 36.61 Favored 'General case' 0 C--N 1.362 1.11 0 C-N-CA 127.469 2.308 . . . . 1.3400000000000001 112.487 175.242 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 65.7 m-20 -89.91 -24.84 21.22 Favored 'General case' 0 C--N 1.367 1.33 0 C-N-CA 125.923 1.689 . . . . 0.85999999999999999 113.647 -174.732 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 8.2 m80 . . . . . 0 C--N 1.364 1.239 0 C-N-CA 126.31 1.844 . . . . 2.3900000000000001 115.74 -179.49 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 27.4 m . . . . . 0 CA--C 1.522 -0.124 0 N-CA-C 107.512 -1.292 . . . . 1.3100000000000001 107.512 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 50.2 pttt -81.21 -1.15 43.65 Favored 'General case' 0 C--N 1.369 1.428 0 C-N-CA 126.807 2.043 . . . . 3.73 115.927 -169.356 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -81.46 -41.48 21.75 Favored 'General case' 0 C--N 1.364 1.217 0 C-N-CA 126.482 1.913 . . . . 1.1299999999999999 112.07 166.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 37.2 mm-40 -77.33 -45.67 25.4 Favored 'General case' 0 C--N 1.365 1.259 0 C-N-CA 128.181 2.592 . . . . 0.85999999999999999 112.64 -169.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 76.1 p -69.17 -36.64 77.58 Favored 'General case' 0 C--N 1.371 1.504 0 C-N-CA 127.208 2.203 . . . . 1.1200000000000001 111.953 -179.256 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -60.7 -53.59 55.62 Favored 'General case' 0 C--N 1.367 1.367 0 C-N-CA 130.374 3.47 . . . . 1.22 113.487 177.348 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -72.46 -37.55 68.49 Favored 'General case' 0 C--N 1.364 1.209 0 C-N-CA 126.18 1.792 . . . . 1.3100000000000001 115.315 -176.143 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 92.9 mt -68.1 -40.74 82.51 Favored 'General case' 0 C--N 1.365 1.25 0 C-N-CA 126.478 1.911 . . . . 1.0900000000000001 114.75 177.211 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -70.37 -33.73 71.78 Favored 'General case' 0 C--N 1.363 1.186 0 C-N-CA 126.332 1.853 . . . . 1.6599999999999999 115.08 174.148 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.7 ptp180 -76.24 -33.13 59.18 Favored 'General case' 0 C--N 1.371 1.513 0 N-CA-C 116.155 1.909 . . . . 2.54 116.155 -178.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.269 2.3 mmm180 -75.9 -21.25 57.31 Favored 'General case' 0 C--N 1.371 1.538 0 N-CA-C 113.201 0.815 . . . . 2.54 113.201 166.071 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -75.41 -23.05 56.98 Favored 'General case' 0 C--N 1.371 1.508 0 CA-C-N 120.671 1.578 . . . . 0.82999999999999996 114.678 174.083 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 36.0 mmt-85 -86.06 -40.18 16.02 Favored 'General case' 0 C--N 1.364 1.23 0 C-N-CA 125.776 1.63 . . . . 4.5700000000000003 113.408 177.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 66.8 tp60 -86.03 -21.34 27.8 Favored 'General case' 0 C--N 1.368 1.388 0 C-N-CA 128.202 2.601 . . . . 2.5299999999999998 112.773 -177.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.3 mm100 -134.22 -176.17 4.11 Favored 'General case' 0 C--N 1.362 1.12 0 N-CA-C 106.678 -1.601 . . . . 2.04 106.678 -177.51 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 28.0 mtp85 -106.11 -58.11 1.96 Allowed 'General case' 0 C--N 1.36 1.023 0 C-N-CA 126.376 1.87 . . . . 4.25 111.396 146.468 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 47.7 p90 -121.62 148.73 44.16 Favored 'General case' 0 N--CA 1.44 -0.937 0 C-N-CA 129.374 3.07 . . . . 5.9000000000000004 108.574 -157.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -152.16 120.53 6.37 Favored 'General case' 0 N--CA 1.441 -0.92 0 N-CA-C 103.904 -2.628 . . . . 1.28 103.904 -167.043 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 26.3 p -89.02 169.37 11.58 Favored 'General case' 0 C--N 1.368 1.373 0 C-N-CA 128.23 2.612 . . . . 2.04 109.571 -171.414 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.53 -37.25 21.3 Favored Pre-proline 0 C--N 1.366 1.31 0 N-CA-C 120.253 3.427 . . . . 1.23 120.253 -173.077 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -67.68 -30.21 34.94 Favored 'Trans proline' 0 C--N 1.36 1.161 0 C-N-CA 124.282 3.322 . . . . 1.3899999999999999 115.062 173.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -101.02 -21.45 15.02 Favored 'General case' 0 C--N 1.363 1.157 0 C-N-CA 126.535 1.934 . . . . 1.72 114.507 178.204 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 65.2 ttp85 -84.23 -35.09 23.69 Favored 'General case' 0 C--N 1.375 1.683 0 C-N-CA 126.08 1.752 . . . . 3.04 112.231 -178.449 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 54.7 mm-40 -79.78 -21.06 44.84 Favored 'General case' 0 C--N 1.366 1.283 0 C-N-CA 127.404 2.281 . . . . 1.8600000000000001 112.279 177.355 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 20.4 t60 -83.34 -30.12 27.72 Favored 'General case' 0 C--N 1.365 1.277 0 C-N-CA 128.293 2.637 . . . . 2.0099999999999998 111.51 178.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.4 -47.99 71.53 Favored 'General case' 0 C--N 1.371 1.501 0 C-N-CA 129.574 3.15 . . . . 1.1899999999999999 111.57 171.842 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.87 -28.95 66.07 Favored 'General case' 0 C--N 1.354 0.78 0 C-N-CA 128.609 2.764 . . . . 1.0700000000000001 116.513 179.255 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 75.7 m -83.26 -28.25 29.29 Favored 'General case' 0 C--N 1.361 1.095 0 C-N-CA 126.04 1.736 . . . . 1.03 112.871 174.096 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -73.41 -37.28 65.99 Favored 'General case' 0 C--N 1.362 1.146 0 C-N-CA 127.281 2.232 . . . . 2.3500000000000001 113.024 175.421 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.414 HD12 HD21 ' A' ' 48' ' ' LEU . 2.8 pt -105.59 -13.4 9.36 Favored 'Isoleucine or valine' 0 C--N 1.366 1.319 0 C-N-CA 124.566 1.146 . . . . 1.0900000000000001 112.317 -173.83 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 15.7 tpp180 87.58 41.76 0.01 OUTLIER 'General case' 0 C--N 1.37 1.495 0 C-N-CA 129.109 2.964 . . . . 3.6099999999999999 115.132 164.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.414 HD21 HD12 ' A' ' 46' ' ' ILE . 0.2 OUTLIER -113.2 179.31 4.0 Favored 'General case' 0 C--N 1.361 1.108 0 C-N-CA 125.71 1.604 . . . . 1.1799999999999999 110.115 -179.034 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 72.8 p -96.62 151.62 38.06 Favored Pre-proline 0 C--N 1.366 1.318 0 C-N-CA 127.244 2.218 . . . . 1.4099999999999999 109.187 175.624 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_exo -57.27 -18.36 30.03 Favored 'Trans proline' 0 C--N 1.366 1.448 1 C-N-CA 126.515 4.81 . . . . 1.0600000000000001 118.47 172.719 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 14.7 t -88.77 -41.0 12.8 Favored 'General case' 0 C--N 1.366 1.298 0 CA-C-N 120.13 1.332 . . . . 1.1299999999999999 111.827 -174.547 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -67.01 -38.34 85.78 Favored 'General case' 0 C--N 1.364 1.22 0 C-N-CA 126.846 2.059 . . . . 1.04 113.351 172.024 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 10.3 p -65.63 -46.69 88.68 Favored 'Isoleucine or valine' 0 C--N 1.382 1.992 0 N-CA-C 113.821 1.045 . . . . 1.0900000000000001 113.821 173.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.39 -43.09 99.64 Favored 'General case' 0 C--N 1.374 1.659 0 C-N-CA 126.013 1.725 . . . . 1.74 115.267 179.549 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.279 12.1 mt -85.12 -9.6 11.38 Favored 'Isoleucine or valine' 0 C--N 1.367 1.338 0 C-N-CA 125.271 1.428 . . . . 1.3200000000000001 114.692 -179.417 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 38.7 t90 -75.24 -40.88 58.6 Favored 'General case' 0 C--N 1.381 1.948 0 CA-C-N 120.225 1.375 . . . . 0.34000000000000002 110.936 165.26 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -79.4 -14.28 59.05 Favored 'General case' 0 C--N 1.368 1.383 0 C-N-CA 124.96 1.304 . . . . 0.46000000000000002 114.149 178.107 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -75.38 -43.28 51.11 Favored 'General case' 0 C--N 1.362 1.122 0 C-N-CA 127.346 2.258 . . . . 1.3400000000000001 112.489 169.064 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 56.6 m-20 -95.0 -25.71 16.38 Favored 'General case' 0 C--N 1.365 1.244 0 C-N-CA 125.561 1.545 . . . . 0.85999999999999999 114.327 -168.531 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 2.7 t60 . . . . . 0 C--N 1.367 1.347 0 N-CA-C 114.466 1.284 . . . . 2.3900000000000001 114.466 -170.418 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 30.7 m . . . . . 0 CA--C 1.519 -0.236 0 N-CA-C 107.649 -1.241 . . . . 1.3100000000000001 107.649 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -85.34 10.68 11.97 Favored 'General case' 0 C--N 1.368 1.403 0 C-N-CA 126.464 1.906 . . . . 3.73 115.392 -169.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.24 -44.12 13.17 Favored 'General case' 0 C--N 1.362 1.129 0 C-N-CA 126.655 1.982 . . . . 1.1299999999999999 112.343 159.221 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 50.0 mm-40 -77.0 -45.78 26.11 Favored 'General case' 0 C--N 1.369 1.425 0 C-N-CA 128.331 2.652 . . . . 0.85999999999999999 111.996 -171.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 72.2 p -67.64 -34.67 77.43 Favored 'General case' 0 C--N 1.374 1.639 0 C-N-CA 128.289 2.636 . . . . 1.1200000000000001 112.11 177.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -58.28 -57.4 13.04 Favored 'General case' 0 C--N 1.371 1.542 0 C-N-CA 128.719 2.808 . . . . 1.22 112.717 174.241 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -66.8 -37.47 84.61 Favored 'General case' 0 C--N 1.369 1.436 0 C-N-CA 125.969 1.707 . . . . 1.3100000000000001 115.536 -175.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 98.6 mt -66.89 -37.15 83.84 Favored 'General case' 0 C--N 1.364 1.198 0 C-N-CA 126.98 2.112 . . . . 1.0900000000000001 115.747 176.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -77.01 -27.08 54.49 Favored 'General case' 0 C--N 1.359 0.984 0 C-N-CA 126.74 2.016 . . . . 1.6599999999999999 114.332 176.352 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 11.3 mtm180 -69.57 -45.6 68.31 Favored 'General case' 0 C--N 1.377 1.796 0 C-N-CA 124.521 1.128 . . . . 2.54 112.488 175.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.307 4.0 mmm180 -71.29 -28.07 63.87 Favored 'General case' 0 C--N 1.381 1.956 0 CA-C-N 115.685 -0.689 . . . . 2.54 112.592 -179.228 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -68.35 -36.02 78.61 Favored 'General case' 0 C--N 1.376 1.737 0 C-N-CA 128.016 2.527 . . . . 0.82999999999999996 113.713 178.385 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.1 mmt85 -79.23 -14.83 58.8 Favored 'General case' 0 C--N 1.367 1.349 0 C-N-CA 124.846 1.258 . . . . 4.5700000000000003 113.994 178.352 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 94.7 mm-40 -95.19 -31.99 13.26 Favored 'General case' 0 C--N 1.368 1.408 0 C-N-CA 126.004 1.721 . . . . 2.5299999999999998 112.991 173.069 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -167.63 153.46 7.48 Favored 'General case' 0 C--N 1.366 1.311 0 N-CA-C 106.024 -1.843 . . . . 2.04 106.024 -166.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 77.0 mmt-85 -102.17 -34.05 9.42 Favored 'General case' 0 C--N 1.359 1.008 0 C-N-CA 124.788 1.235 . . . . 4.25 110.225 -175.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -121.06 139.03 53.88 Favored 'General case' 0 C--N 1.358 0.944 0 C-N-CA 125.897 1.679 . . . . 5.9000000000000004 107.9 179.165 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -144.26 122.29 12.1 Favored 'General case' 0 CA--C 1.501 -0.919 0 C-N-CA 129.73 3.212 . . . . 1.28 102.356 -172.309 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 9.5 m -90.64 164.16 14.28 Favored 'General case' 0 C--N 1.366 1.313 0 C-N-CA 126.487 1.915 . . . . 2.04 109.864 -170.214 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -46.14 -35.13 3.83 Favored Pre-proline 0 C--N 1.367 1.352 0 N-CA-C 121.047 3.721 . . . . 1.23 121.047 -170.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_exo -66.98 -32.7 34.56 Favored 'Trans proline' 0 C--N 1.36 1.162 0 C-N-CA 124.265 3.31 . . . . 1.3899999999999999 115.107 174.085 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -102.55 -19.3 14.91 Favored 'General case' 0 C--N 1.362 1.145 0 C-N-CA 126.239 1.815 . . . . 1.72 114.738 176.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 42.1 ttp180 -80.02 -41.97 24.74 Favored 'General case' 0 C--N 1.375 1.681 0 C-N-CA 126.243 1.817 . . . . 3.04 111.68 -179.436 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -81.47 -20.17 40.8 Favored 'General case' 0 C--N 1.369 1.443 0 C-N-CA 126.711 2.004 . . . . 1.8600000000000001 112.287 -177.472 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 21.2 t60 -84.29 -26.13 28.8 Favored 'General case' 0 C--N 1.365 1.282 0 C-N-CA 128.222 2.609 . . . . 2.0099999999999998 111.469 177.15 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -74.76 -31.74 61.87 Favored 'General case' 0 C--N 1.369 1.439 0 C-N-CA 128.151 2.58 . . . . 1.1899999999999999 111.844 171.625 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -82.26 -25.78 33.77 Favored 'General case' 0 C--N 1.364 1.196 0 C-N-CA 127.776 2.43 . . . . 1.0700000000000001 113.384 176.524 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.3 t -85.08 -28.74 25.42 Favored 'General case' 0 C--N 1.357 0.918 0 C-N-CA 125.849 1.66 . . . . 1.03 112.562 176.342 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -76.11 -41.6 49.71 Favored 'General case' 0 C--N 1.362 1.116 0 C-N-CA 127.799 2.44 . . . . 2.3500000000000001 112.109 177.154 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.2 pt -98.62 -14.72 7.66 Favored 'Isoleucine or valine' 0 C--N 1.367 1.334 0 C-N-CA 124.287 1.035 . . . . 1.0900000000000001 112.007 -175.394 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 13.2 tpp180 93.32 52.18 0.0 OUTLIER 'General case' 0 C--N 1.376 1.727 0 C-N-CA 129.099 2.96 . . . . 3.6099999999999999 114.179 160.235 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 75.0 mt -127.51 -162.64 1.18 Allowed 'General case' 0 C--N 1.367 1.361 0 C-N-CA 124.675 1.19 . . . . 1.1799999999999999 111.293 -176.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 69.7 p -104.71 148.74 36.55 Favored Pre-proline 0 C--N 1.369 1.44 0 C-N-CA 128.38 2.672 . . . . 1.4099999999999999 109.013 176.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -61.85 -20.12 68.14 Favored 'Trans proline' 0 C--N 1.361 1.216 1 C-N-CA 126.252 4.634 . . . . 1.0600000000000001 117.258 170.37 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.9 t -87.99 -29.87 20.43 Favored 'General case' 0 C--N 1.365 1.245 0 C-N-CA 126.372 1.869 . . . . 1.1299999999999999 111.215 -177.328 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -82.69 -32.46 28.07 Favored 'General case' 0 C--N 1.37 1.49 0 CA-C-N 119.576 1.08 . . . . 1.04 112.483 178.385 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 8.4 p -68.24 -41.95 84.26 Favored 'Isoleucine or valine' 0 C--N 1.38 1.93 0 C-N-CA 124.788 1.235 . . . . 1.0900000000000001 112.658 170.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.83 -46.25 78.17 Favored 'General case' 0 C--N 1.371 1.5 0 C-N-CA 126.998 2.119 . . . . 1.74 115.811 172.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.304 5.9 mt -86.89 -8.86 11.1 Favored 'Isoleucine or valine' 0 C--N 1.366 1.324 0 N-CA-C 115.403 1.631 . . . . 1.3200000000000001 115.403 -179.665 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 36.8 t90 -73.72 -40.77 63.33 Favored 'General case' 0 C--N 1.379 1.848 0 CA-C-N 120.124 1.329 . . . . 0.34000000000000002 111.346 165.411 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -83.15 -11.72 57.65 Favored 'General case' 0 C--N 1.365 1.271 0 C-N-CA 126.425 1.89 . . . . 0.46000000000000002 113.753 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -81.43 -40.27 23.63 Favored 'General case' 0 C--N 1.358 0.936 0 C-N-CA 127.441 2.296 . . . . 1.3400000000000001 112.026 171.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 48.6 m-20 -93.78 -27.29 16.56 Favored 'General case' 0 C--N 1.366 1.309 0 C-N-CA 125.743 1.617 . . . . 0.85999999999999999 114.085 -171.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 2.3 t60 . . . . . 0 C--N 1.365 1.245 0 C-N-CA 125.096 1.358 . . . . 2.3900000000000001 114.048 -176.258 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 20.8 m . . . . . 0 CA--C 1.519 -0.238 0 N-CA-C 108.591 -0.892 . . . . 1.3100000000000001 108.591 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.22 -0.38 24.97 Favored 'General case' 0 C--N 1.369 1.421 0 C-N-CA 127.112 2.165 . . . . 3.73 116.113 -170.673 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.32 -47.64 9.83 Favored 'General case' 0 C--N 1.361 1.09 0 C-N-CA 126.388 1.875 . . . . 1.1299999999999999 111.924 164.555 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 42.9 mm-40 -69.64 -45.52 68.26 Favored 'General case' 0 C--N 1.374 1.645 0 C-N-CA 128.365 2.666 . . . . 0.85999999999999999 112.719 -173.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 77.3 p -73.97 -30.31 62.44 Favored 'General case' 0 C--N 1.367 1.346 0 C-N-CA 126.943 2.097 . . . . 1.1200000000000001 112.32 -178.047 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 46.4 t80 -68.98 -47.56 65.3 Favored 'General case' 0 C--N 1.363 1.165 0 C-N-CA 127.498 2.319 . . . . 1.22 112.978 -179.33 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -73.66 -38.37 64.97 Favored 'General case' 0 C--N 1.359 0.986 0 N-CA-C 115.652 1.723 . . . . 1.3100000000000001 115.652 -179.452 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 94.4 mt -69.55 -42.01 75.16 Favored 'General case' 0 C--N 1.362 1.115 0 C-N-CA 126.077 1.751 . . . . 1.0900000000000001 114.884 178.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 80.4 mt-10 -70.8 -32.12 69.1 Favored 'General case' 0 C--N 1.364 1.206 0 C-N-CA 127.24 2.216 . . . . 1.6599999999999999 114.903 174.724 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . 0.264 5.5 ptp180 -73.63 -41.64 62.5 Favored 'General case' 0 C--N 1.374 1.633 0 N-CA-C 115.234 1.568 . . . . 2.54 115.234 177.428 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.485 0.0 OUTLIER -86.07 1.9 48.61 Favored 'General case' 0 C--N 1.369 1.438 0 N-CA-C 115.732 1.753 . . . . 2.54 115.732 170.455 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -83.16 -36.66 24.56 Favored 'General case' 0 C--N 1.368 1.389 0 C-N-CA 124.741 1.216 . . . . 0.82999999999999996 113.651 158.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 23.6 mmm-85 -86.87 -49.69 7.23 Favored 'General case' 0 C--N 1.369 1.429 0 C-N-CA 125.205 1.402 . . . . 4.5700000000000003 114.384 -171.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . 0.27 0.0 OUTLIER -93.94 9.64 36.65 Favored 'General case' 0 C--N 1.369 1.421 0 C-N-CA 125.773 1.629 . . . . 2.5299999999999998 113.15 -178.295 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -143.15 173.77 11.28 Favored 'General case' 0 C--N 1.361 1.107 0 N-CA-C 103.835 -2.654 . . . . 2.04 103.835 174.026 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.8 mtp-105 -102.42 -76.85 0.57 Allowed 'General case' 0 C--N 1.362 1.148 0 N-CA-C 102.06 -3.311 . . . . 4.25 102.06 129.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . 2.299 4.3 m-85 55.19 67.76 0.97 Allowed 'General case' 0 C--N 1.368 1.395 0 C-N-CA 131.256 3.822 . . . . 5.9000000000000004 117.759 127.546 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . 0.253 0.0 OUTLIER -162.54 119.59 2.0 Favored 'General case' 0 C--N 1.352 0.705 0 N-CA-C 106.822 -1.547 . . . . 1.28 106.822 173.483 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 13.6 m -106.98 166.78 10.35 Favored 'General case' 0 C--N 1.375 1.68 0 C-N-CA 125.878 1.671 . . . . 2.04 106.952 -177.582 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -43.49 -37.16 2.58 Favored Pre-proline 0 C--N 1.368 1.404 0 N-CA-C 120.928 3.677 . . . . 1.23 120.928 -172.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -67.53 -33.84 27.66 Favored 'Trans proline' 0 C--N 1.363 1.299 0 C-N-CA 124.435 3.423 . . . . 1.3899999999999999 115.394 175.087 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -101.3 -9.19 21.43 Favored 'General case' 0 C--N 1.364 1.21 0 C-N-CA 125.679 1.592 . . . . 1.72 114.478 176.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 35.7 ttt85 -88.89 -43.42 11.2 Favored 'General case' 0 C--N 1.366 1.318 0 C-N-CA 127.385 2.274 . . . . 3.04 111.857 -176.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -83.24 -19.69 35.94 Favored 'General case' 0 C--N 1.369 1.447 0 C-N-CA 126.524 1.93 . . . . 1.8600000000000001 111.923 177.614 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 40.3 t-80 -84.76 -25.12 28.47 Favored 'General case' 0 C--N 1.367 1.334 0 C-N-CA 127.151 2.18 . . . . 2.0099999999999998 111.49 176.303 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -69.53 -33.91 73.49 Favored 'General case' 0 C--N 1.371 1.512 0 C-N-CA 128.047 2.539 . . . . 1.1899999999999999 112.188 166.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -74.19 -27.5 60.83 Favored 'General case' 0 C--N 1.362 1.15 0 C-N-CA 126.764 2.026 . . . . 1.0700000000000001 114.015 172.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 50.1 m -83.34 -28.28 29.12 Favored 'General case' 0 C--N 1.358 0.953 0 C-N-CA 125.305 1.442 . . . . 1.03 113.988 173.495 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -77.39 -38.9 48.9 Favored 'General case' 0 C--N 1.362 1.148 0 C-N-CA 127.912 2.485 . . . . 2.3500000000000001 112.147 179.554 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.6 pt -100.08 -18.29 6.39 Favored 'Isoleucine or valine' 0 C--N 1.366 1.288 0 C-N-CA 124.654 1.182 . . . . 1.0900000000000001 111.264 -175.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 17.6 tpt180 84.23 67.37 0.01 OUTLIER 'General case' 0 C--N 1.372 1.544 0 C-N-CA 129.131 2.972 . . . . 3.6099999999999999 113.626 169.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 93.3 mt -137.27 -160.47 1.06 Allowed 'General case' 0 C--N 1.354 0.788 0 N-CA-C 106.704 -1.591 . . . . 1.1799999999999999 106.704 173.004 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 77.1 p -107.67 145.84 32.14 Favored Pre-proline 0 C--N 1.364 1.221 0 C-N-CA 127.085 2.154 . . . . 1.4099999999999999 107.414 175.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_exo -61.35 -18.01 56.58 Favored 'Trans proline' 0 C--N 1.366 1.456 1 C-N-CA 125.984 4.456 . . . . 1.0600000000000001 116.484 171.542 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.8 t -85.52 -29.88 23.87 Favored 'General case' 0 C--N 1.366 1.307 0 C-N-CA 127.723 2.409 . . . . 1.1299999999999999 111.253 -178.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . 0.25 9.1 pt20 -84.56 -31.45 24.35 Favored 'General case' 0 C--N 1.373 1.629 0 CA-C-N 119.505 1.048 . . . . 1.04 112.72 178.408 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 5.8 p -68.55 -33.68 61.26 Favored 'Isoleucine or valine' 0 C--N 1.379 1.872 0 C-N-CA 124.582 1.153 . . . . 1.0900000000000001 112.869 167.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.45 ' HZ2' HE21 ' A' ' 58' ' ' GLN . 0.2 OUTLIER -53.01 -55.18 25.53 Favored 'General case' 0 C--N 1.371 1.508 0 C-N-CA 128.083 2.553 . . . . 1.74 116.241 166.741 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.267 4.9 mt -82.6 -6.5 10.06 Favored 'Isoleucine or valine' 0 C--N 1.368 1.382 0 N-CA-C 114.551 1.315 . . . . 1.3200000000000001 114.551 179.429 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 25.5 t90 -76.38 -43.13 42.05 Favored 'General case' 0 C--N 1.376 1.753 0 C-N-CA 125.726 1.61 . . . . 0.34000000000000002 111.186 169.399 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -80.23 -14.12 58.68 Favored 'General case' 0 C--N 1.37 1.474 0 C-N-CA 126.591 1.956 . . . . 0.46000000000000002 112.691 178.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.45 HE21 ' HZ2' ' A' ' 54' ' ' LYS . 18.9 tt0 -78.92 -37.59 39.45 Favored 'General case' 0 C--N 1.36 1.061 0 C-N-CA 127.56 2.344 . . . . 1.3400000000000001 112.197 172.229 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 60.8 m-20 -90.65 -37.3 13.85 Favored 'General case' 0 C--N 1.366 1.286 0 C-N-CA 126.126 1.77 . . . . 0.85999999999999999 113.818 -174.094 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 7.4 t60 . . . . . 0 C--N 1.365 1.241 0 C-N-CA 125.965 1.706 . . . . 2.3900000000000001 115.258 -171.065 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 24.7 m . . . . . 0 CA--C 1.518 -0.281 0 N-CA-C 107.662 -1.236 . . . . 1.3100000000000001 107.662 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.78 -9.04 58.26 Favored 'General case' 0 C--N 1.368 1.386 0 C-N-CA 127.157 2.183 . . . . 3.73 116.285 -170.105 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -82.64 -35.95 26.46 Favored 'General case' 0 C--N 1.365 1.25 0 C-N-CA 126.462 1.905 . . . . 1.1299999999999999 112.552 172.161 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 45.8 mm-40 -73.85 -45.88 48.38 Favored 'General case' 0 C--N 1.369 1.418 0 C-N-CA 128.832 2.853 . . . . 0.85999999999999999 111.757 -175.84 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 59.7 p -73.33 -29.95 63.01 Favored 'General case' 0 C--N 1.366 1.283 0 C-N-CA 126.509 1.924 . . . . 1.1200000000000001 112.469 179.592 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 63.7 t80 -63.49 -52.42 61.39 Favored 'General case' 0 C--N 1.367 1.347 0 C-N-CA 128.188 2.595 . . . . 1.22 113.332 176.64 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -73.01 -38.47 66.57 Favored 'General case' 0 C--N 1.362 1.145 0 N-CA-C 115.612 1.708 . . . . 1.3100000000000001 115.612 -177.676 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 88.1 mt -69.05 -42.94 75.63 Favored 'General case' 0 C--N 1.365 1.256 0 C-N-CA 126.492 1.917 . . . . 1.0900000000000001 114.398 -179.585 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -70.6 -33.93 71.6 Favored 'General case' 0 C--N 1.362 1.11 0 C-N-CA 126.586 1.954 . . . . 1.6599999999999999 115.247 173.017 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . 0.256 2.7 ptp180 -75.07 -34.22 61.76 Favored 'General case' 0 C--N 1.372 1.559 0 N-CA-C 116.56 2.059 . . . . 2.54 116.56 -177.835 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.329 22.9 mmm-85 -75.64 -29.51 59.16 Favored 'General case' 0 C--N 1.371 1.515 0 CA-C-O 118.594 -0.717 . . . . 2.54 112.785 166.23 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -70.01 -21.21 63.23 Favored 'General case' 0 C--N 1.376 1.746 0 C-N-CA 126.558 1.943 . . . . 0.82999999999999996 113.869 -175.192 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.2 mmm180 -70.34 -34.64 72.89 Favored 'General case' 0 C--N 1.366 1.324 0 C-N-CA 126.363 1.865 . . . . 4.5700000000000003 115.542 169.8 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -99.6 -31.04 11.79 Favored 'General case' 0 C--N 1.36 1.029 0 C-N-CA 126.058 1.743 . . . . 2.5299999999999998 113.995 -174.569 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -153.5 147.82 25.9 Favored 'General case' 0 C--N 1.364 1.215 0 CA-C-N 119.9 1.227 . . . . 2.04 107.87 -170.042 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 12.5 mtm105 -105.37 -38.38 6.51 Favored 'General case' 0 C--N 1.365 1.261 0 C-N-CA 125.761 1.624 . . . . 4.25 111.56 -176.088 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -104.77 134.08 48.51 Favored 'General case' 0 C--N 1.363 1.187 0 C-N-CA 124.774 1.23 . . . . 5.9000000000000004 111.81 -173.218 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . 2.041 0.7 OUTLIER -100.45 93.43 5.63 Favored 'General case' 0 C--N 1.361 1.088 0 C-N-CA 129.687 3.195 . . . . 1.28 111.072 -169.633 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.7 p -71.75 145.77 48.55 Favored 'General case' 0 C--N 1.379 1.851 0 CA-C-N 122.786 2.539 . . . . 2.04 111.616 172.175 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.12 -39.96 80.88 Favored Pre-proline 0 C--N 1.365 1.259 0 N-CA-C 119.962 3.319 . . . . 1.23 119.962 -161.972 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -68.23 -21.54 41.67 Favored 'Trans proline' 0 C--N 1.363 1.33 0 C-N-CA 124.554 3.503 . . . . 1.3899999999999999 115.337 174.741 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -104.23 -15.78 15.39 Favored 'General case' 0 C--N 1.363 1.177 0 C-N-CA 125.955 1.702 . . . . 1.72 114.508 176.251 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.8 ttm105 -80.75 -46.13 15.96 Favored 'General case' 0 C--N 1.375 1.69 0 C-N-CA 126.867 2.067 . . . . 3.04 111.343 179.072 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -75.52 -28.01 58.94 Favored 'General case' 0 C--N 1.37 1.492 0 C-N-CA 128.667 2.787 . . . . 1.8600000000000001 112.13 -178.213 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 46.2 t-80 -84.75 -26.26 27.73 Favored 'General case' 0 C--N 1.364 1.207 0 C-N-CA 127.849 2.46 . . . . 2.0099999999999998 111.755 -177.146 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -71.61 -34.91 70.26 Favored 'General case' 0 C--N 1.367 1.365 0 C-N-CA 127.982 2.513 . . . . 1.1899999999999999 112.292 170.679 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.59 -30.72 59.7 Favored 'General case' 0 C--N 1.365 1.262 0 C-N-CA 127.956 2.503 . . . . 1.0700000000000001 114.275 174.789 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 70.8 m -85.09 -26.95 26.62 Favored 'General case' 0 C--N 1.362 1.122 0 C-N-CA 125.952 1.701 . . . . 1.03 113.112 177.893 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 52.1 tp -74.04 -40.99 62.46 Favored 'General case' 0 C--N 1.363 1.157 0 C-N-CA 127.707 2.403 . . . . 2.3500000000000001 112.212 176.298 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.5 pt -101.19 -14.84 7.85 Favored 'Isoleucine or valine' 0 C--N 1.366 1.311 0 C-N-CA 123.759 0.823 . . . . 1.0900000000000001 112.828 -174.176 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 16.5 tpp180 86.75 51.42 0.01 OUTLIER 'General case' 0 C--N 1.369 1.441 0 C-N-CA 128.399 2.68 . . . . 3.6099999999999999 113.462 166.732 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 75.6 mt -129.1 -170.63 2.31 Favored 'General case' 0 C--N 1.362 1.138 0 C-N-CA 124.806 1.243 . . . . 1.1799999999999999 107.788 176.661 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 81.5 p -94.04 146.7 32.12 Favored Pre-proline 0 C--N 1.37 1.488 0 C-N-CA 126.614 1.966 . . . . 1.4099999999999999 108.988 178.631 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_exo -60.58 -21.03 67.34 Favored 'Trans proline' 0 C--N 1.363 1.296 1 C-N-CA 125.983 4.455 . . . . 1.0600000000000001 116.963 172.315 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.9 t -87.53 -29.48 21.3 Favored 'General case' 0 C--N 1.366 1.3 0 C-N-CA 125.801 1.64 . . . . 1.1299999999999999 111.356 -177.193 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -82.6 -30.64 29.36 Favored 'General case' 0 C--N 1.372 1.571 0 CA-C-N 119.465 1.029 . . . . 1.04 112.593 178.098 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 8.0 p -70.16 -42.75 79.19 Favored 'Isoleucine or valine' 0 C--N 1.377 1.791 0 C-N-CA 125.319 1.448 . . . . 1.0900000000000001 112.692 172.798 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.46 -47.29 84.48 Favored 'General case' 0 C--N 1.374 1.639 0 C-N-CA 128.608 2.763 . . . . 1.74 113.255 175.761 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.295 6.5 mt -88.47 -5.63 10.54 Favored 'Isoleucine or valine' 0 C--N 1.365 1.282 0 N-CA-C 115.308 1.596 . . . . 1.3200000000000001 115.308 -179.924 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 53.6 t90 -72.24 -39.15 68.69 Favored 'General case' 0 C--N 1.38 1.914 0 C-N-CA 125.898 1.679 . . . . 0.34000000000000002 110.308 165.283 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -79.5 -34.36 41.34 Favored 'General case' 0 C--N 1.367 1.34 0 C-N-CA 125.624 1.569 . . . . 0.46000000000000002 113.645 178.026 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -65.59 -39.66 91.83 Favored 'General case' 0 C--N 1.356 0.87 0 C-N-CA 128.212 2.605 . . . . 1.3400000000000001 113.524 177.729 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -86.05 -10.3 55.22 Favored 'General case' 0 C--N 1.364 1.219 0 C-N-CA 127.115 2.166 . . . . 0.85999999999999999 112.942 169.589 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . 2.093 0.1 OUTLIER . . . . . 0 C--N 1.361 1.097 0 C-N-CA 130.042 3.337 . . . . 2.3900000000000001 114.611 174.441 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.8 m . . . . . 0 CA--C 1.52 -0.179 0 N-CA-C 107.29 -1.374 . . . . 1.3100000000000001 107.29 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.12 11.92 8.82 Favored 'General case' 0 C--N 1.368 1.405 0 C-N-CA 126.645 1.978 . . . . 3.73 115.027 -173.457 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.22 -40.76 16.29 Favored 'General case' 0 C--N 1.362 1.113 0 C-N-CA 126.495 1.918 . . . . 1.1299999999999999 112.577 160.904 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 42.5 mm-40 -77.57 -54.16 6.73 Favored 'General case' 0 C--N 1.369 1.427 0 C-N-CA 129.046 2.938 . . . . 0.85999999999999999 111.675 -167.852 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 74.1 p -64.96 -40.51 95.12 Favored 'General case' 0 C--N 1.37 1.466 0 C-N-CA 128.539 2.736 . . . . 1.1200000000000001 111.821 178.941 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 43.7 t80 -54.96 -56.46 19.38 Favored 'General case' 0 C--N 1.367 1.34 0 C-N-CA 128.587 2.755 . . . . 1.22 113.785 175.167 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -65.39 -40.14 93.11 Favored 'General case' 0 C--N 1.368 1.404 0 C-N-CA 126.592 1.957 . . . . 1.3100000000000001 115.495 -176.475 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 97.5 mt -66.06 -38.94 89.59 Favored 'General case' 0 C--N 1.365 1.252 0 N-CA-C 115.717 1.747 . . . . 1.0900000000000001 115.717 178.913 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -76.55 -28.05 56.13 Favored 'General case' 0 C--N 1.36 1.044 0 C-N-CA 127.431 2.293 . . . . 1.6599999999999999 114.825 176.426 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . 0.264 12.7 mtm180 -67.78 -52.52 36.27 Favored 'General case' 0 C--N 1.376 1.741 0 C-N-CA 124.033 0.933 . . . . 2.54 112.31 176.723 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.584 0.2 OUTLIER -85.52 -5.67 59.26 Favored 'General case' 0 C--N 1.38 1.927 0 N-CA-C 113.458 0.911 . . . . 2.54 113.458 -173.484 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -74.09 -30.99 62.62 Favored 'General case' 0 C--N 1.376 1.725 0 C-N-CA 127.109 2.164 . . . . 0.82999999999999996 113.725 161.972 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.4 mmt-85 -74.44 -30.52 61.93 Favored 'General case' 0 C--N 1.369 1.448 0 C-N-CA 125.939 1.696 . . . . 4.5700000000000003 114.361 169.139 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 66.6 tp60 -93.7 -24.47 17.84 Favored 'General case' 0 C--N 1.364 1.23 0 C-N-CA 127.1 2.16 . . . . 2.5299999999999998 112.903 -175.276 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 41.8 mm-40 -138.77 171.11 14.82 Favored 'General case' 0 C--N 1.366 1.311 0 N-CA-C 107.22 -1.4 . . . . 2.04 107.22 -174.221 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 79.0 mtt-85 -107.18 -41.67 5.07 Favored 'General case' 0 C--N 1.36 1.044 0 C-N-CA 125.929 1.692 . . . . 4.25 110.547 162.197 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 49.9 p90 -136.03 150.69 49.29 Favored 'General case' 0 C--N 1.359 1.015 0 C-N-CA 127.478 2.311 . . . . 5.9000000000000004 106.531 -163.37 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -157.58 121.19 4.1 Favored 'General case' 0 C--N 1.356 0.85 0 N-CA-C 106.135 -1.802 . . . . 1.28 106.135 -168.508 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.4 p -94.32 163.31 13.48 Favored 'General case' 0 C--N 1.367 1.361 0 C-N-CA 127.577 2.351 . . . . 2.04 110.2 -173.839 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -43.45 -38.41 3.72 Favored Pre-proline 0 C--N 1.367 1.34 0 N-CA-C 121.34 3.83 . . . . 1.23 121.34 -168.532 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -69.55 -34.36 15.46 Favored 'Trans proline' 0 C--N 1.36 1.158 0 CA-C-N 125.691 3.068 . . . . 1.3899999999999999 114.92 -179.825 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -93.56 -33.56 13.69 Favored 'General case' 0 C--N 1.366 1.32 0 C-N-CA 125.921 1.689 . . . . 1.72 113.542 176.402 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 41.4 ttt180 -63.26 -43.32 98.29 Favored 'General case' 0 C--N 1.369 1.43 0 C-N-CA 128.814 2.846 . . . . 3.04 114.93 -179.835 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 -84.6 -19.66 32.67 Favored 'General case' 0 C--N 1.359 1.003 0 C-N-CA 128.136 2.574 . . . . 1.8600000000000001 112.165 -177.945 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 56.7 t-80 -77.83 -24.95 48.51 Favored 'General case' 0 C--N 1.367 1.361 0 C-N-CA 128.364 2.665 . . . . 2.0099999999999998 112.411 174.39 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.36 -55.79 10.78 Favored 'General case' 0 C--N 1.369 1.421 0 C-N-CA 129.672 3.189 . . . . 1.1899999999999999 110.891 172.441 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.53 -28.59 70.05 Favored 'General case' 0 C--N 1.356 0.852 0 C-N-CA 129.565 3.146 . . . . 1.0700000000000001 116.323 178.183 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 66.1 m -85.18 -38.03 19.47 Favored 'General case' 0 C--N 1.362 1.123 0 C-N-CA 125.511 1.524 . . . . 1.03 114.024 177.769 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 83.9 mt -84.8 -21.85 29.77 Favored 'General case' 0 C--N 1.361 1.091 0 C-N-CA 125.241 1.417 . . . . 2.3500000000000001 113.737 179.284 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -97.93 -20.23 5.68 Favored 'Isoleucine or valine' 0 C--N 1.367 1.339 0 C-N-CA 124.672 1.189 . . . . 1.0900000000000001 110.623 176.689 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 82.27 61.66 0.02 OUTLIER 'General case' 0 C--N 1.371 1.543 0 C-N-CA 129.275 3.03 . . . . 3.6099999999999999 112.689 165.909 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 93.2 mt -135.93 -170.45 2.64 Favored 'General case' 0 C--N 1.359 0.979 0 C-N-CA 124.895 1.278 . . . . 1.1799999999999999 108.56 176.926 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 63.3 p -96.42 148.54 34.63 Favored Pre-proline 0 C--N 1.37 1.491 0 C-N-CA 127.039 2.136 . . . . 1.4099999999999999 109.556 -178.095 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_exo -61.89 -21.96 73.34 Favored 'Trans proline' 0 C--N 1.367 1.511 1 C-N-CA 126.13 4.553 . . . . 1.0600000000000001 116.09 171.983 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.3 t -86.37 -29.1 23.2 Favored 'General case' 0 C--N 1.365 1.282 0 C-N-CA 126.247 1.819 . . . . 1.1299999999999999 111.176 -177.19 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -81.95 -31.35 31.29 Favored 'General case' 0 C--N 1.373 1.591 0 CA-C-N 119.393 0.997 . . . . 1.04 112.818 177.622 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 9.0 p -68.5 -43.04 84.05 Favored 'Isoleucine or valine' 0 C--N 1.376 1.747 0 C-N-CA 125.037 1.335 . . . . 1.0900000000000001 112.968 172.26 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.42 -37.07 82.48 Favored 'General case' 0 C--N 1.378 1.825 0 C-N-CA 125.046 1.338 . . . . 1.74 114.046 177.52 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.301 6.9 mt -88.21 -5.96 10.59 Favored 'Isoleucine or valine' 0 C--N 1.372 1.581 0 N-CA-C 114.822 1.415 . . . . 1.3200000000000001 114.822 176.588 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 49.7 t90 -75.37 -41.47 56.37 Favored 'General case' 0 C--N 1.379 1.877 0 C-N-CA 125.469 1.507 . . . . 0.34000000000000002 110.781 166.065 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -78.0 -17.5 57.05 Favored 'General case' 0 C--N 1.368 1.401 0 C-N-CA 125.053 1.341 . . . . 0.46000000000000002 113.751 177.686 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 20.7 tt0 -76.76 -38.45 54.09 Favored 'General case' 0 C--N 1.363 1.158 0 C-N-CA 127.428 2.291 . . . . 1.3400000000000001 112.398 172.986 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 62.3 m-20 -91.98 -30.3 16.15 Favored 'General case' 0 C--N 1.365 1.261 0 C-N-CA 125.77 1.628 . . . . 0.85999999999999999 113.856 -173.226 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 1.8 t60 . . . . . 0 C--N 1.364 1.205 0 C-N-CA 125.288 1.435 . . . . 2.3900000000000001 114.338 -172.606 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 24.3 m . . . . . 0 CA--C 1.521 -0.151 0 N-CA-C 107.998 -1.112 . . . . 1.3100000000000001 107.998 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.76 -4.25 48.4 Favored 'General case' 0 C--N 1.369 1.414 0 C-N-CA 127.245 2.218 . . . . 3.73 115.705 -172.591 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -79.31 -40.71 29.73 Favored 'General case' 0 C--N 1.366 1.283 0 C-N-CA 126.929 2.092 . . . . 1.1299999999999999 112.14 168.769 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 -73.99 -49.13 25.82 Favored 'General case' 0 C--N 1.365 1.258 0 C-N-CA 129.388 3.075 . . . . 0.85999999999999999 113.075 -172.472 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 66.9 p -73.28 -29.13 62.52 Favored 'General case' 0 C--N 1.364 1.221 0 C-N-CA 126.182 1.793 . . . . 1.1200000000000001 112.52 -178.061 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -65.69 -53.05 46.34 Favored 'General case' 0 C--N 1.369 1.454 0 C-N-CA 128.47 2.708 . . . . 1.22 112.945 176.423 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -72.47 -36.18 68.4 Favored 'General case' 0 C--N 1.361 1.098 0 C-N-CA 125.973 1.709 . . . . 1.3100000000000001 115.287 -176.632 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 90.3 mt -71.17 -41.3 70.55 Favored 'General case' 0 C--N 1.361 1.073 0 C-N-CA 126.873 2.069 . . . . 1.0900000000000001 114.61 178.85 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -71.74 -31.35 66.59 Favored 'General case' 0 C--N 1.362 1.126 0 C-N-CA 125.893 1.677 . . . . 1.6599999999999999 115.455 172.418 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.1 ptm180 -78.52 -29.38 46.5 Favored 'General case' 0 C--N 1.371 1.539 0 N-CA-C 115.267 1.58 . . . . 2.54 115.267 -176.938 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.258 36.1 mmm-85 -78.74 -26.28 44.62 Favored 'General case' 0 C--N 1.369 1.455 0 CA-C-O 118.384 -0.817 . . . . 2.54 112.724 164.057 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -71.23 -19.84 62.32 Favored 'General case' 0 C--N 1.376 1.747 0 CA-C-N 120.641 1.564 . . . . 0.82999999999999996 114.164 178.365 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 19.8 mmm-85 -74.16 -44.61 52.9 Favored 'General case' 0 C--N 1.366 1.297 0 C-N-CA 126.685 1.994 . . . . 4.5700000000000003 113.923 173.951 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 63.9 tp60 -93.25 -22.42 19.02 Favored 'General case' 0 N--CA 1.435 -1.188 0 C-N-CA 128.063 2.545 . . . . 2.5299999999999998 112.748 -173.054 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -156.16 170.49 22.1 Favored 'General case' 0 C--N 1.365 1.276 0 O-C-N 121.174 -0.954 . . . . 2.04 109.573 178.516 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.479 ' HG3' HH11 ' A' ' 32' ' ' ARG . 8.2 mtm-85 -105.84 -34.27 7.71 Favored 'General case' 0 C--N 1.363 1.185 0 C-N-CA 127.287 2.235 . . . . 4.25 109.06 175.251 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -134.03 142.84 47.75 Favored 'General case' 0 C--N 1.357 0.893 0 C-N-CA 127.099 2.16 . . . . 5.9000000000000004 105.808 -173.862 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . 0.295 0.0 OUTLIER -106.28 -106.1 0.32 Allowed 'General case' 0 CA--C 1.555 1.151 0 N-CA-C 102.925 -2.991 . . . . 1.28 102.925 -163.234 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . 2.407 13.1 m -156.09 -159.55 0.91 Allowed 'General case' 0 C--N 1.376 1.718 0 N-CA-C 101.677 -3.453 . . . . 2.04 101.677 140.895 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . 0.27 . . -76.18 -53.85 2.12 Favored Pre-proline 0 C--N 1.365 1.265 0 CA-C-O 116.276 -1.821 . . . . 1.23 115.631 -177.667 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -72.76 -10.26 24.77 Favored 'Trans proline' 0 C--N 1.364 1.393 0 C-N-CA 123.83 3.02 . . . . 1.3899999999999999 115.312 -178.943 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -99.29 -22.47 15.58 Favored 'General case' 0 C--N 1.361 1.065 0 C-N-CA 127.259 2.224 . . . . 1.72 113.539 179.5 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.2 tmm_? -83.75 -30.12 26.92 Favored 'General case' 0 C--N 1.378 1.822 0 CA-C-N 120.827 1.649 . . . . 3.04 111.157 171.5 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -81.88 -23.02 36.56 Favored 'General case' 0 C--N 1.375 1.696 0 C-N-CA 124.397 1.079 . . . . 1.8600000000000001 112.447 178.281 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 46.0 t-80 -85.06 -26.54 26.92 Favored 'General case' 0 C--N 1.364 1.214 0 C-N-CA 127.7 2.4 . . . . 2.0099999999999998 111.818 178.017 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -75.59 -26.76 58.15 Favored 'General case' 0 C--N 1.366 1.318 0 C-N-CA 128.568 2.747 . . . . 1.1899999999999999 111.712 170.894 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -80.75 -31.27 35.97 Favored 'General case' 0 C--N 1.366 1.291 0 C-N-CA 126.995 2.118 . . . . 1.0700000000000001 112.822 175.758 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 55.5 m -80.69 -25.65 38.05 Favored 'General case' 0 C--N 1.361 1.105 0 C-N-CA 125.733 1.613 . . . . 1.03 113.6 173.836 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 5.9 tt -75.06 -39.33 60.95 Favored 'General case' 0 C--N 1.362 1.142 0 C-N-CA 128.008 2.523 . . . . 2.3500000000000001 112.434 175.357 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.8 pt -101.71 -14.76 7.97 Favored 'Isoleucine or valine' 0 C--N 1.367 1.369 0 C-N-CA 124.244 1.018 . . . . 1.0900000000000001 112.83 -172.809 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 9.3 tpt180 89.5 33.96 0.02 OUTLIER 'General case' 0 C--N 1.37 1.482 0 C-N-CA 129.463 3.105 . . . . 3.6099999999999999 112.318 165.408 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -118.28 178.36 4.47 Favored 'General case' 0 C--N 1.357 0.906 0 C-N-CA 127.492 2.317 . . . . 1.1799999999999999 107.678 -174.162 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 81.1 p -93.11 143.15 26.31 Favored Pre-proline 0 C--N 1.364 1.212 0 C-N-CA 126.35 1.86 . . . . 1.4099999999999999 109.526 179.886 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_exo -60.98 -18.02 55.08 Favored 'Trans proline' 0 C--N 1.368 1.595 1 C-N-CA 126.26 4.64 . . . . 1.0600000000000001 116.57 172.457 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 14.0 t -86.05 -31.48 21.94 Favored 'General case' 0 C--N 1.366 1.288 0 C-N-CA 127.234 2.214 . . . . 1.1299999999999999 111.11 -178.758 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -80.8 -34.76 33.82 Favored 'General case' 0 C--N 1.371 1.535 0 O-C-N 121.014 -1.054 . . . . 1.04 112.163 178.646 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 6.4 p -70.71 -36.32 64.53 Favored 'Isoleucine or valine' 0 C--N 1.378 1.82 0 C-N-CA 125.497 1.519 . . . . 1.0900000000000001 112.707 173.766 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.04 -49.31 76.2 Favored 'General case' 0 C--N 1.369 1.451 0 C-N-CA 128.274 2.63 . . . . 1.74 113.675 170.316 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.286 5.2 mt -83.4 -7.61 10.92 Favored 'Isoleucine or valine' 0 C--N 1.368 1.403 0 N-CA-C 115.407 1.632 . . . . 1.3200000000000001 115.407 178.847 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 23.1 t90 -75.11 -42.11 57.19 Favored 'General case' 0 C--N 1.377 1.779 0 C-N-CA 125.802 1.641 . . . . 0.34000000000000002 110.976 168.728 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -85.0 -12.49 53.11 Favored 'General case' 0 C--N 1.368 1.373 0 C-N-CA 126.699 2.0 . . . . 0.46000000000000002 113.261 179.704 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 20.7 tt0 -78.16 -40.23 38.55 Favored 'General case' 0 C--N 1.36 1.045 0 C-N-CA 127.311 2.244 . . . . 1.3400000000000001 112.219 173.406 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 70.8 m-20 -87.65 -25.21 23.64 Favored 'General case' 0 C--N 1.368 1.382 0 C-N-CA 125.78 1.632 . . . . 0.85999999999999999 113.675 -175.263 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 6.4 m80 . . . . . 0 C--N 1.363 1.191 0 N-CA-C 115.909 1.818 . . . . 2.3900000000000001 115.909 -178.419 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 30.1 m . . . . . 0 CA--C 1.52 -0.179 0 N-CA-C 107.098 -1.445 . . . . 1.3100000000000001 107.098 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.7 pptp? -73.69 -13.41 60.98 Favored 'General case' 0 C--N 1.368 1.395 0 C-N-CA 127.367 2.267 . . . . 3.73 116.669 -169.157 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -78.88 -34.63 44.69 Favored 'General case' 0 C--N 1.366 1.326 0 C-N-CA 126.726 2.01 . . . . 1.1299999999999999 112.688 173.609 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 42.4 mm-40 -78.16 -41.83 33.55 Favored 'General case' 0 C--N 1.367 1.345 0 C-N-CA 128.136 2.574 . . . . 0.85999999999999999 111.038 -173.502 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 71.8 p -74.52 -30.79 61.91 Favored 'General case' 0 C--N 1.365 1.281 0 C-N-CA 126.777 2.031 . . . . 1.1200000000000001 112.147 178.812 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 49.9 t80 -64.28 -50.75 66.67 Favored 'General case' 0 C--N 1.368 1.411 0 C-N-CA 127.643 2.377 . . . . 1.22 112.855 176.252 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -75.14 -35.65 61.64 Favored 'General case' 0 C--N 1.359 1.01 0 N-CA-C 115.502 1.668 . . . . 1.3100000000000001 115.502 -176.559 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 89.3 mt -69.83 -43.48 71.92 Favored 'General case' 0 C--N 1.364 1.233 0 C-N-CA 126.329 1.852 . . . . 1.0900000000000001 114.422 177.906 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 77.0 mt-10 -70.09 -31.8 69.56 Favored 'General case' 0 C--N 1.362 1.145 0 C-N-CA 126.711 2.004 . . . . 1.6599999999999999 115.279 173.802 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.6 ptm180 -77.53 -29.32 52.3 Favored 'General case' 0 C--N 1.369 1.441 0 N-CA-C 115.773 1.768 . . . . 2.54 115.773 -179.713 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.258 27.6 mmm-85 -77.56 -25.61 50.23 Favored 'General case' 0 C--N 1.369 1.445 0 C-N-CA 123.803 0.841 . . . . 2.54 112.323 165.523 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -68.8 -46.37 68.86 Favored 'General case' 0 C--N 1.375 1.706 0 C-N-CA 126.757 2.023 . . . . 0.82999999999999996 113.737 -177.52 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . 2.348 11.3 mmm-85 -58.71 -25.71 63.16 Favored 'General case' 0 N--CA 1.496 1.866 0 C-N-CA 128.491 2.717 . . . . 4.5700000000000003 114.3 176.184 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 65.7 tp60 -97.95 -30.41 12.74 Favored 'General case' 0 C--N 1.37 1.472 0 C-N-CA 127.667 2.387 . . . . 2.5299999999999998 112.748 -177.217 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -170.96 150.52 3.13 Favored 'General case' 0 C--N 1.37 1.473 0 N-CA-C 107.086 -1.45 . . . . 2.04 107.086 -167.534 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.9 mtm105 -100.89 -34.14 9.92 Favored 'General case' 0 C--N 1.362 1.133 0 C-N-CA 125.173 1.389 . . . . 4.25 110.438 -177.937 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 58.4 m-85 -117.28 137.01 52.69 Favored 'General case' 0 C--N 1.357 0.919 0 C-N-CA 125.878 1.671 . . . . 5.9000000000000004 108.678 -179.826 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -144.26 121.72 11.7 Favored 'General case' 0 CA--C 1.495 -1.138 0 N-CA-C 101.027 -3.694 . . . . 1.28 101.027 -173.023 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.6 p -83.9 164.91 19.14 Favored 'General case' 0 C--N 1.364 1.221 0 C-N-CA 126.94 2.096 . . . . 2.04 111.081 -168.185 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -41.3 -45.23 6.9 Favored Pre-proline 0 C--N 1.366 1.307 0 N-CA-C 120.733 3.605 . . . . 1.23 120.733 -174.048 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -71.78 -29.88 15.03 Favored 'Trans proline' 0 C--N 1.36 1.149 0 C-N-CA 124.292 3.328 . . . . 1.3899999999999999 114.229 177.723 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -94.51 -18.63 21.27 Favored 'General case' 0 C--N 1.364 1.211 0 C-N-CA 126.009 1.724 . . . . 1.72 113.963 176.596 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 -81.44 -40.37 23.45 Favored 'General case' 0 C--N 1.373 1.611 0 C-N-CA 127.106 2.163 . . . . 3.04 111.241 -178.107 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -84.71 -17.69 37.59 Favored 'General case' 0 C--N 1.368 1.399 0 C-N-CA 125.627 1.571 . . . . 1.8600000000000001 112.135 -179.584 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 46.6 t-80 -82.0 -24.25 35.53 Favored 'General case' 0 C--N 1.366 1.293 0 C-N-CA 128.066 2.546 . . . . 2.0099999999999998 111.914 174.824 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -64.45 -50.38 67.74 Favored 'General case' 0 C--N 1.37 1.46 0 C-N-CA 129.097 2.959 . . . . 1.1899999999999999 111.892 168.763 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.91 -31.92 73.38 Favored 'General case' 0 C--N 1.357 0.935 0 C-N-CA 129.223 3.009 . . . . 1.0700000000000001 116.362 175.687 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 67.0 m -85.05 -27.11 26.58 Favored 'General case' 0 C--N 1.362 1.116 0 C-N-CA 125.762 1.625 . . . . 1.03 113.372 177.845 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 40.1 tp -77.12 -33.97 56.72 Favored 'General case' 0 C--N 1.361 1.079 0 C-N-CA 127.075 2.15 . . . . 2.3500000000000001 112.546 177.189 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.6 pt -104.76 -21.8 5.16 Favored 'Isoleucine or valine' 0 C--N 1.366 1.285 0 C-N-CA 124.348 1.059 . . . . 1.0900000000000001 112.185 -174.023 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.8 tpp180 84.99 70.06 0.01 OUTLIER 'General case' 0 C--N 1.372 1.562 0 C-N-CA 129.227 3.011 . . . . 3.6099999999999999 114.051 175.818 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 93.4 mt -139.87 -166.57 2.11 Favored 'General case' 0 C--N 1.359 0.997 0 N-CA-C 106.981 -1.488 . . . . 1.1799999999999999 106.981 169.972 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.423 HG23 ' H ' ' A' ' 51' ' ' THR . 71.3 p -98.8 144.53 28.33 Favored Pre-proline 0 C--N 1.368 1.412 0 C-N-CA 126.625 1.97 . . . . 1.4099999999999999 108.703 175.643 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_exo -61.2 -18.92 61.3 Favored 'Trans proline' 0 C--N 1.367 1.548 1 C-N-CA 126.128 4.552 . . . . 1.0600000000000001 116.572 172.26 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.423 ' H ' HG23 ' A' ' 49' ' ' THR . 13.8 t -85.54 -31.0 22.94 Favored 'General case' 0 C--N 1.366 1.294 0 C-N-CA 126.997 2.119 . . . . 1.1299999999999999 111.144 -178.579 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -82.16 -32.41 30.0 Favored 'General case' 0 C--N 1.373 1.595 0 CA-C-N 119.362 0.983 . . . . 1.04 112.765 178.586 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.5 p -70.73 -36.71 66.08 Favored 'Isoleucine or valine' 0 C--N 1.376 1.743 0 C-N-CA 124.972 1.309 . . . . 1.0900000000000001 112.74 172.2 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.98 -47.62 82.44 Favored 'General case' 0 C--N 1.369 1.439 0 C-N-CA 128.04 2.536 . . . . 1.74 113.543 170.989 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.293 4.9 mt -84.45 -5.83 9.82 Favored 'Isoleucine or valine' 0 C--N 1.369 1.42 0 N-CA-C 115.219 1.562 . . . . 1.3200000000000001 115.219 177.519 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 31.0 t90 -74.53 -42.46 58.82 Favored 'General case' 0 C--N 1.376 1.743 0 C-N-CA 125.759 1.624 . . . . 0.34000000000000002 110.87 166.945 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -84.51 -12.02 55.02 Favored 'General case' 0 C--N 1.365 1.276 0 C-N-CA 126.54 1.936 . . . . 0.46000000000000002 113.588 -179.532 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -79.34 -34.71 41.93 Favored 'General case' 0 C--N 1.359 0.994 0 C-N-CA 127.377 2.271 . . . . 1.3400000000000001 111.716 170.293 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 70.4 m-20 -90.39 -40.39 12.09 Favored 'General case' 0 C--N 1.367 1.338 0 C-N-CA 126.192 1.797 . . . . 0.85999999999999999 114.051 -176.058 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 1.3 t60 . . . . . 0 C--N 1.363 1.191 0 N-CA-C 116.369 1.989 . . . . 2.3900000000000001 116.369 -166.849 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . 0.259 10.8 m . . . . . 0 CA--C 1.519 -0.228 0 N-CA-C 110.268 -0.271 . . . . 1.3100000000000001 110.268 . . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.7 pptp? -74.99 -9.92 58.99 Favored 'General case' 0 C--N 1.369 1.442 0 N-CA-C 117.473 2.397 . . . . 3.73 117.473 -162.233 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -83.59 -42.74 16.42 Favored 'General case' 0 C--N 1.363 1.157 0 C-N-CA 125.826 1.65 . . . . 1.1299999999999999 111.736 168.671 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 50.2 mm-40 -73.52 -46.23 49.01 Favored 'General case' 0 C--N 1.368 1.41 0 C-N-CA 128.451 2.7 . . . . 0.85999999999999999 112.104 -174.425 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 67.4 p -65.92 -40.48 91.48 Favored 'General case' 0 C--N 1.373 1.618 0 C-N-CA 127.896 2.478 . . . . 1.1200000000000001 111.941 179.053 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -56.13 -56.58 19.21 Favored 'General case' 0 C--N 1.367 1.328 0 C-N-CA 128.332 2.653 . . . . 1.22 113.433 175.981 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -67.25 -35.84 80.37 Favored 'General case' 0 C--N 1.37 1.466 0 N-CA-C 115.397 1.629 . . . . 1.3100000000000001 115.397 -176.407 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 96.3 mt -66.78 -38.02 85.72 Favored 'General case' 0 C--N 1.365 1.247 0 C-N-CA 126.606 1.962 . . . . 1.0900000000000001 116.002 178.126 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -75.87 -28.67 58.25 Favored 'General case' 0 C--N 1.358 0.935 0 C-N-CA 128.091 2.556 . . . . 1.6599999999999999 114.355 175.314 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . 0.254 0.5 OUTLIER -64.75 -50.15 67.97 Favored 'General case' 0 C--N 1.377 1.804 0 C-N-CA 125.263 1.425 . . . . 2.54 112.545 173.75 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.14 -38.38 82.93 Favored 'General case' 0 C--N 1.384 2.108 0 N-CA-C 115.727 1.751 . . . . 2.54 115.727 170.823 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -68.28 -25.04 64.96 Favored 'General case' 0 C--N 1.377 1.774 0 C-N-CA 125.65 1.58 . . . . 0.82999999999999996 114.32 -177.572 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 17.1 mmm-85 -72.21 -36.59 69.22 Favored 'General case' 0 C--N 1.366 1.286 0 C-N-CA 126.742 2.017 . . . . 4.5700000000000003 114.495 173.441 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 65.7 tp60 -94.75 -27.6 15.72 Favored 'General case' 0 N--CA 1.433 -1.295 0 C-N-CA 128.162 2.585 . . . . 2.5299999999999998 113.06 -172.579 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -167.52 158.79 11.67 Favored 'General case' 0 C--N 1.365 1.244 0 N-CA-C 107.516 -1.29 . . . . 2.04 107.516 -165.821 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 12.2 mtm105 -105.22 -37.48 6.87 Favored 'General case' 0 C--N 1.366 1.31 0 C-N-CA 124.878 1.271 . . . . 4.25 109.745 173.85 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 42.0 p90 -113.23 143.44 44.4 Favored 'General case' 0 C--N 1.36 1.058 0 C-N-CA 127.033 2.133 . . . . 5.9000000000000004 109.315 -175.249 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -154.89 123.11 5.92 Favored 'General case' 0 N--CA 1.443 -0.796 0 N-CA-C 102.912 -2.995 . . . . 1.28 102.912 -170.938 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 8.2 m -81.98 163.03 22.43 Favored 'General case' 0 C--N 1.371 1.523 0 C-N-CA 126.805 2.042 . . . . 2.04 111.407 -170.43 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.65 -37.5 32.22 Favored Pre-proline 0 C--N 1.367 1.348 0 N-CA-C 120.21 3.411 . . . . 1.23 120.21 -172.908 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -67.23 -29.59 38.84 Favored 'Trans proline' 0 C--N 1.362 1.264 0 C-N-CA 124.406 3.404 . . . . 1.3899999999999999 115.173 174.447 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -101.26 -20.35 15.29 Favored 'General case' 0 C--N 1.363 1.156 0 C-N-CA 125.941 1.697 . . . . 1.72 114.665 176.289 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 46.0 ttp85 -80.64 -42.9 21.35 Favored 'General case' 0 C--N 1.374 1.651 0 C-N-CA 125.97 1.708 . . . . 3.04 111.374 -176.961 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 77.4 mt-10 -84.07 -18.07 38.19 Favored 'General case' 0 C--N 1.367 1.346 0 C-N-CA 126.311 1.844 . . . . 1.8600000000000001 111.738 -176.71 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 78.3 t60 -85.06 -23.44 28.57 Favored 'General case' 0 C--N 1.365 1.278 0 C-N-CA 127.991 2.517 . . . . 2.0099999999999998 111.416 176.199 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -73.25 -34.31 65.77 Favored 'General case' 0 C--N 1.37 1.475 0 C-N-CA 128.03 2.532 . . . . 1.1899999999999999 111.856 169.097 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -76.78 -28.92 55.85 Favored 'General case' 0 C--N 1.362 1.123 0 C-N-CA 127.2 2.2 . . . . 1.0700000000000001 113.847 174.568 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 71.0 m -81.18 -33.14 33.24 Favored 'General case' 0 C--N 1.361 1.095 0 C-N-CA 125.098 1.359 . . . . 1.03 114.09 178.541 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 85.5 mt -85.07 -24.23 28.2 Favored 'General case' 0 C--N 1.359 1.018 0 C-N-CA 125.953 1.701 . . . . 2.3500000000000001 113.294 177.355 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . 0.255 1.0 OUTLIER -96.39 -19.61 6.1 Favored 'Isoleucine or valine' 0 C--N 1.37 1.469 0 CA-C-N 118.994 0.815 . . . . 1.0900000000000001 112.334 176.19 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 38.1 tpt85 86.72 51.91 0.01 OUTLIER 'General case' 0 C--N 1.371 1.524 0 C-N-CA 128.999 2.919 . . . . 3.6099999999999999 112.639 167.685 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 85.1 mt -134.85 -167.57 2.01 Favored 'General case' 0 C--N 1.359 1.013 0 N-CA-C 106.71 -1.589 . . . . 1.1799999999999999 106.71 176.208 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 81.9 p -102.09 145.44 30.5 Favored Pre-proline 0 C--N 1.365 1.281 0 C-N-CA 125.987 1.715 . . . . 1.4099999999999999 108.393 -177.129 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_exo -61.5 -18.64 60.78 Favored 'Trans proline' 0 C--N 1.366 1.454 1 C-N-CA 126.127 4.552 . . . . 1.0600000000000001 116.559 172.524 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 14.3 t -89.3 -30.19 18.63 Favored 'General case' 0 C--N 1.363 1.172 0 C-N-CA 126.635 1.974 . . . . 1.1299999999999999 110.921 -176.355 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -80.94 -33.18 34.18 Favored 'General case' 0 C--N 1.375 1.679 0 C-N-CA 124.672 1.189 . . . . 1.04 111.839 177.644 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.2 p -70.21 -39.93 77.47 Favored 'Isoleucine or valine' 0 C--N 1.382 1.988 0 C-N-CA 125.419 1.488 . . . . 1.0900000000000001 111.204 174.749 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.42 -33.74 76.56 Favored 'General case' 0 C--N 1.367 1.356 0 N-CA-C 115.568 1.692 . . . . 1.74 115.568 171.457 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.317 0.5 OUTLIER -80.51 -9.69 12.13 Favored 'Isoleucine or valine' 0 C--N 1.386 2.16 0 CA-C-N 121.671 2.032 . . . . 1.3200000000000001 114.886 167.475 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 17.1 t90 -74.97 -37.05 62.02 Favored 'General case' 0 C--N 1.376 1.723 0 CA-C-N 120.891 1.678 . . . . 0.34000000000000002 111.714 170.217 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 -85.09 -12.38 53.11 Favored 'General case' 0 C--N 1.367 1.342 0 C-N-CA 127.547 2.339 . . . . 0.46000000000000002 113.523 177.671 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -70.03 -40.84 74.94 Favored 'General case' 0 C--N 1.367 1.357 0 C-N-CA 127.981 2.512 . . . . 1.3400000000000001 112.091 163.926 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -91.62 -23.58 19.81 Favored 'General case' 0 C--N 1.367 1.327 0 C-N-CA 126.293 1.837 . . . . 0.85999999999999999 113.785 -171.143 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . 2.221 46.5 t60 . . . . . 0 C--N 1.375 1.691 0 C-N-CA 125.954 1.702 . . . . 2.3900000000000001 112.8 -178.076 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.3 m . . . . . 0 CA--C 1.518 -0.276 0 N-CA-C 107.895 -1.15 . . . . 1.3100000000000001 107.895 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.03 0.03 29.39 Favored 'General case' 0 C--N 1.37 1.463 0 C-N-CA 127.091 2.156 . . . . 3.73 116.634 -167.258 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.33 -43.15 15.06 Favored 'General case' 0 C--N 1.363 1.164 0 C-N-CA 126.204 1.802 . . . . 1.1299999999999999 112.102 165.98 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 41.3 mm-40 -77.4 -44.82 27.91 Favored 'General case' 0 C--N 1.367 1.357 0 C-N-CA 128.394 2.678 . . . . 0.85999999999999999 111.395 -171.107 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 81.1 p -66.02 -33.53 76.02 Favored 'General case' 0 C--N 1.37 1.463 0 C-N-CA 127.755 2.422 . . . . 1.1200000000000001 113.364 174.727 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 56.6 t80 -64.7 -49.87 69.21 Favored 'General case' 0 C--N 1.368 1.382 0 C-N-CA 127.703 2.401 . . . . 1.22 113.343 178.437 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.403 ' HA ' ' HG2' ' A' ' 26' ' ' ARG . 66.4 mm-40 -71.54 -35.68 70.73 Favored 'General case' 0 C--N 1.361 1.073 0 C-N-CA 126.217 1.807 . . . . 1.3100000000000001 115.627 -178.594 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 93.5 mt -71.49 -40.08 70.43 Favored 'General case' 0 C--N 1.361 1.094 0 C-N-CA 126.329 1.851 . . . . 1.0900000000000001 115.193 178.819 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -69.82 -33.24 72.05 Favored 'General case' 0 C--N 1.361 1.079 0 C-N-CA 127.363 2.265 . . . . 1.6599999999999999 115.117 171.809 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.403 ' HG2' ' HA ' ' A' ' 23' ' ' GLU . 0.9 OUTLIER -76.78 -27.0 55.12 Favored 'General case' 0 C--N 1.371 1.507 0 N-CA-C 116.101 1.889 . . . . 2.54 116.101 178.228 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.26 41.7 mmm-85 -75.41 -31.14 60.3 Favored 'General case' 0 C--N 1.368 1.389 0 C-N-CA 123.496 0.719 . . . . 2.54 112.166 165.619 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -69.28 -23.97 63.91 Favored 'General case' 0 C--N 1.374 1.648 0 C-N-CA 126.568 1.947 . . . . 0.82999999999999996 113.965 -178.363 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 19.3 mmm-85 -74.33 -42.56 59.22 Favored 'General case' 0 C--N 1.365 1.282 0 C-N-CA 127.093 2.157 . . . . 4.5700000000000003 114.324 174.585 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 64.3 tp60 -92.45 -23.36 19.18 Favored 'General case' 0 C--N 1.36 1.064 0 C-N-CA 128.079 2.552 . . . . 2.5299999999999998 113.006 -172.27 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -158.45 156.59 30.63 Favored 'General case' 0 C--N 1.363 1.169 0 N-CA-C 106.64 -1.615 . . . . 2.04 106.64 -177.459 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 15.2 mtm105 -105.15 -33.3 8.31 Favored 'General case' 0 C--N 1.366 1.289 0 C-N-CA 124.991 1.316 . . . . 4.25 108.597 -179.857 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 49.9 p90 -125.87 146.49 49.8 Favored 'General case' 0 N--CA 1.437 -1.092 0 C-N-CA 127.539 2.336 . . . . 5.9000000000000004 106.843 -178.651 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -153.19 123.55 7.11 Favored 'General case' 0 CA--C 1.499 -0.986 0 N-CA-C 102.816 -3.031 . . . . 1.28 102.816 -170.845 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 29.1 p -93.59 160.75 14.64 Favored 'General case' 0 C--N 1.365 1.239 0 C-N-CA 127.178 2.191 . . . . 2.04 110.735 -165.784 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . 0.256 . . -44.25 -43.73 16.31 Favored Pre-proline 0 C--N 1.367 1.359 0 N-CA-C 120.587 3.551 . . . . 1.23 120.587 -164.967 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_exo -67.27 -34.04 28.7 Favored 'Trans proline' 0 C--N 1.359 1.12 0 C-N-CA 124.253 3.302 . . . . 1.3899999999999999 115.281 177.887 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -95.44 -20.15 19.3 Favored 'General case' 0 C--N 1.365 1.26 0 C-N-CA 126.551 1.941 . . . . 1.72 113.395 178.554 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 -83.92 -35.18 24.24 Favored 'General case' 0 C--N 1.375 1.695 0 CA-C-N 120.082 1.31 . . . . 3.04 111.956 -175.833 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -81.32 -16.12 53.37 Favored 'General case' 0 C--N 1.373 1.628 0 C-N-CA 126.719 2.007 . . . . 1.8600000000000001 111.666 176.56 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 46.4 t-80 -80.79 -28.49 36.32 Favored 'General case' 0 C--N 1.366 1.296 0 C-N-CA 128.375 2.67 . . . . 2.0099999999999998 111.666 174.695 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -73.44 -33.77 65.08 Favored 'General case' 0 C--N 1.37 1.461 0 C-N-CA 128.224 2.61 . . . . 1.1899999999999999 112.293 171.944 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -78.86 -27.07 44.05 Favored 'General case' 0 C--N 1.363 1.172 0 C-N-CA 127.221 2.208 . . . . 1.0700000000000001 113.886 175.061 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 75.7 m -83.35 -25.29 31.55 Favored 'General case' 0 C--N 1.359 1.018 0 C-N-CA 126.006 1.722 . . . . 1.03 112.522 175.238 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 48.2 tp -74.3 -39.89 62.6 Favored 'General case' 0 C--N 1.362 1.132 0 C-N-CA 128.007 2.523 . . . . 2.3500000000000001 112.421 174.554 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.7 pt -103.84 -15.69 8.02 Favored 'Isoleucine or valine' 0 C--N 1.367 1.35 0 N-CA-C 113.505 0.928 . . . . 1.0900000000000001 113.505 -173.978 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 23.2 tpt180 88.5 57.03 0.01 OUTLIER 'General case' 0 C--N 1.369 1.415 0 C-N-CA 129.394 3.078 . . . . 3.6099999999999999 113.935 169.979 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 94.5 mt -134.65 -171.45 2.78 Favored 'General case' 0 C--N 1.361 1.094 0 C-N-CA 124.987 1.315 . . . . 1.1799999999999999 108.089 175.527 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 31.8 p -110.22 158.75 34.33 Favored Pre-proline 0 C--N 1.368 1.381 0 C-N-CA 126.526 1.93 . . . . 1.4099999999999999 110.289 179.933 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 78.6 Cg_exo -65.91 -19.5 58.3 Favored 'Trans proline' 0 C--N 1.371 1.715 1 C-N-CA 125.679 4.252 . . . . 1.0600000000000001 117.466 -176.711 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 14.1 t -88.72 -29.1 20.09 Favored 'General case' 0 C--N 1.365 1.253 0 C-N-CA 125.711 1.605 . . . . 1.1299999999999999 111.685 -175.888 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -84.81 -32.71 23.17 Favored 'General case' 0 C--N 1.368 1.387 0 C-N-CA 124.269 1.028 . . . . 1.04 112.39 179.031 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 8.0 p -67.41 -42.88 87.78 Favored 'Isoleucine or valine' 0 C--N 1.38 1.92 0 C-N-CA 124.055 0.942 . . . . 1.0900000000000001 112.211 169.007 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.24 -37.26 86.84 Favored 'General case' 0 C--N 1.366 1.311 0 C-N-CA 127.128 2.171 . . . . 1.74 115.797 172.626 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.362 0.5 OUTLIER -77.38 -10.75 13.29 Favored 'Isoleucine or valine' 0 C--N 1.383 2.053 0 CA-C-N 121.397 1.908 . . . . 1.3200000000000001 114.605 169.463 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 17.8 t90 -75.03 -41.22 59.65 Favored 'General case' 0 C--N 1.372 1.569 0 CA-C-N 120.355 1.434 . . . . 0.34000000000000002 112.409 169.294 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 -85.14 -7.02 59.26 Favored 'General case' 0 C--N 1.367 1.357 0 C-N-CA 126.205 1.802 . . . . 0.46000000000000002 113.084 178.389 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -71.41 -43.36 66.94 Favored 'General case' 0 C--N 1.364 1.226 0 C-N-CA 128.278 2.631 . . . . 1.3400000000000001 112.326 162.901 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -90.46 -34.45 15.59 Favored 'General case' 0 C--N 1.366 1.313 0 C-N-CA 126.415 1.886 . . . . 0.85999999999999999 114.233 -168.89 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 3.0 t60 . . . . . 0 C--N 1.361 1.088 0 N-CA-C 115.378 1.622 . . . . 2.3900000000000001 115.378 -167.636 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 43.9 m . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 106.589 -1.634 . . . . 1.3100000000000001 106.589 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.84 -8.27 57.02 Favored 'General case' 0 C--N 1.37 1.459 0 C-N-CA 127.12 2.168 . . . . 3.73 116.376 -170.401 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.9 -34.29 51.55 Favored 'General case' 0 C--N 1.367 1.333 0 C-N-CA 126.804 2.042 . . . . 1.1299999999999999 112.703 171.554 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 42.9 mm-40 -77.39 -51.38 10.91 Favored 'General case' 0 C--N 1.366 1.304 0 C-N-CA 128.695 2.798 . . . . 0.85999999999999999 110.545 -171.929 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 75.6 p -64.93 -33.5 76.17 Favored 'General case' 0 C--N 1.368 1.397 0 C-N-CA 127.484 2.314 . . . . 1.1200000000000001 112.974 177.294 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -59.75 -64.48 0.93 Allowed 'General case' 0 C--N 1.372 1.569 0 C-N-CA 128.217 2.607 . . . . 1.22 112.928 175.023 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -67.28 -32.59 73.7 Favored 'General case' 0 C--N 1.375 1.711 0 N-CA-C 115.022 1.489 . . . . 1.3100000000000001 115.022 -174.029 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 98.1 mt -67.85 -39.25 83.83 Favored 'General case' 0 C--N 1.361 1.106 0 N-CA-C 116.039 1.866 . . . . 1.0900000000000001 116.039 176.93 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -75.25 -29.25 60.14 Favored 'General case' 0 C--N 1.361 1.08 0 C-N-CA 126.904 2.082 . . . . 1.6599999999999999 114.597 177.659 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.8 mtm180 -69.17 -49.99 51.67 Favored 'General case' 0 C--N 1.374 1.649 0 C-N-CA 124.561 1.144 . . . . 2.54 112.181 176.574 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.456 0.0 OUTLIER -85.38 0.96 50.56 Favored 'General case' 0 C--N 1.375 1.705 0 N-CA-C 114.162 1.171 . . . . 2.54 114.162 179.457 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -78.03 -35.72 49.41 Favored 'General case' 0 C--N 1.374 1.658 0 C-N-CA 125.803 1.641 . . . . 0.82999999999999996 113.206 162.46 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.3 mmm-85 -72.74 -33.82 66.64 Favored 'General case' 0 C--N 1.371 1.521 0 C-N-CA 125.859 1.664 . . . . 4.5700000000000003 114.442 172.978 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 67.1 tp60 -91.82 -26.64 18.43 Favored 'General case' 0 N--CA 1.433 -1.321 0 C-N-CA 127.968 2.507 . . . . 2.5299999999999998 112.695 -175.821 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 18.7 mm100 -143.33 137.62 28.91 Favored 'General case' 0 C--N 1.368 1.377 0 N-CA-C 107.812 -1.181 . . . . 2.04 107.812 -178.397 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . 2.131 0.4 OUTLIER -105.02 67.47 0.79 Allowed 'General case' 0 N--CA 1.5 2.042 0 C-N-CA 127.478 2.311 . . . . 4.25 110.046 154.576 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.441 ' HB3' ' HA ' ' A' ' 34' ' ' LEU 0.381 0.3 OUTLIER -148.24 -108.64 0.08 Allowed 'General case' 0 C--N 1.365 1.241 0 CA-C-O 115.842 -2.028 . . . . 5.9000000000000004 111.829 -167.316 . . . . . . . . 4 4 . 1 . 027 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.441 ' HA ' ' HB3' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -135.22 158.5 44.21 Favored 'General case' 0 C--N 1.381 1.97 3 C-N-CA 141.266 7.826 . . . . 1.28 97.702 19.38 . . . . . . . . 4 4 . 1 . 027 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 27.9 p -84.53 149.75 25.7 Favored 'General case' 0 C--N 1.375 1.696 0 O-C-N 119.632 -1.918 . . . . 2.04 111.125 -170.902 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.73 -39.24 75.94 Favored Pre-proline 0 C--N 1.365 1.256 0 N-CA-C 119.602 3.186 . . . . 1.23 119.602 -167.358 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_exo -66.49 -26.33 47.45 Favored 'Trans proline' 0 C--N 1.364 1.35 0 C-N-CA 124.748 3.632 . . . . 1.3899999999999999 115.474 173.826 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -99.55 -14.36 19.06 Favored 'General case' 0 C--N 1.364 1.221 0 C-N-CA 125.76 1.624 . . . . 1.72 114.082 174.239 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.2 ptt180 -85.83 -40.5 15.94 Favored 'General case' 0 C--N 1.375 1.717 0 CA-C-N 121.315 1.87 . . . . 3.04 112.384 -176.403 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -77.13 -27.63 54.04 Favored 'General case' 0 C--N 1.37 1.469 0 C-N-CA 128.82 2.848 . . . . 1.8600000000000001 111.669 178.266 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 42.7 t-80 -83.94 -25.15 30.34 Favored 'General case' 0 C--N 1.367 1.343 0 C-N-CA 127.625 2.37 . . . . 2.0099999999999998 111.456 -178.477 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -74.88 -31.78 61.69 Favored 'General case' 0 C--N 1.368 1.381 0 C-N-CA 128.127 2.571 . . . . 1.1899999999999999 112.052 170.91 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.5 -27.61 58.85 Favored 'General case' 0 C--N 1.364 1.203 0 C-N-CA 127.216 2.206 . . . . 1.0700000000000001 113.202 173.15 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 49.5 m -85.01 -27.45 26.41 Favored 'General case' 0 C--N 1.361 1.103 0 C-N-CA 126.196 1.798 . . . . 1.03 114.03 173.494 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 50.7 tp -74.39 -39.49 62.65 Favored 'General case' 0 C--N 1.362 1.152 0 C-N-CA 127.52 2.328 . . . . 2.3500000000000001 112.391 179.317 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.9 pt -106.21 -17.75 7.49 Favored 'Isoleucine or valine' 0 C--N 1.363 1.178 0 C-N-CA 124.078 0.951 . . . . 1.0900000000000001 112.099 -173.963 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 12.7 tpp180 87.74 65.01 0.01 OUTLIER 'General case' 0 C--N 1.374 1.656 0 C-N-CA 128.654 2.782 . . . . 3.6099999999999999 113.999 168.581 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 96.8 mt -138.3 -173.46 3.54 Favored 'General case' 0 C--N 1.36 1.062 0 C-N-CA 124.389 1.076 . . . . 1.1799999999999999 108.461 176.383 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.445 HG23 ' H ' ' A' ' 51' ' ' THR . 80.2 p -90.67 144.28 30.24 Favored Pre-proline 0 C--N 1.371 1.532 0 C-N-CA 126.273 1.829 . . . . 1.4099999999999999 109.715 175.447 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -62.07 -21.05 71.74 Favored 'Trans proline' 0 C--N 1.362 1.237 1 C-N-CA 126.032 4.488 . . . . 1.0600000000000001 116.52 172.876 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.445 ' H ' HG23 ' A' ' 49' ' ' THR . 13.5 t -86.33 -27.25 24.43 Favored 'General case' 0 C--N 1.366 1.297 0 C-N-CA 126.082 1.753 . . . . 1.1299999999999999 111.114 -178.588 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -81.73 -32.45 31.57 Favored 'General case' 0 C--N 1.373 1.628 0 CA-C-N 119.185 0.902 . . . . 1.04 112.9 177.171 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.2 p -70.64 -38.35 72.9 Favored 'Isoleucine or valine' 0 C--N 1.376 1.751 0 C-N-CA 125.284 1.434 . . . . 1.0900000000000001 112.566 174.139 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.49 -50.61 72.51 Favored 'General case' 0 C--N 1.375 1.693 0 C-N-CA 126.895 2.078 . . . . 1.74 114.615 171.139 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.276 6.9 mt -84.1 -2.26 6.9 Favored 'Isoleucine or valine' 0 C--N 1.369 1.444 0 N-CA-C 114.642 1.349 . . . . 1.3200000000000001 114.642 177.623 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 31.9 t90 -74.43 -42.04 59.83 Favored 'General case' 0 C--N 1.379 1.858 0 C-N-CA 126.046 1.738 . . . . 0.34000000000000002 110.419 165.916 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -76.22 -19.56 58.27 Favored 'General case' 0 C--N 1.371 1.513 0 C-N-CA 125.005 1.322 . . . . 0.46000000000000002 113.628 175.946 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 18.8 tt0 -78.36 -35.98 46.69 Favored 'General case' 0 C--N 1.363 1.163 0 C-N-CA 127.153 2.181 . . . . 1.3400000000000001 112.996 173.135 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 60.0 m-20 -95.02 -26.63 16.0 Favored 'General case' 0 C--N 1.368 1.377 0 C-N-CA 125.474 1.51 . . . . 0.85999999999999999 114.083 -174.679 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 2.0 t60 . . . . . 0 C--N 1.367 1.344 0 C-N-CA 124.892 1.277 . . . . 2.3900000000000001 113.564 -175.591 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.6 m . . . . . 0 CA--C 1.52 -0.181 0 N-CA-C 107.521 -1.288 . . . . 1.3100000000000001 107.521 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.9 pttm -78.42 -6.58 55.69 Favored 'General case' 0 C--N 1.367 1.363 0 C-N-CA 127.24 2.216 . . . . 3.73 115.971 -171.501 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -78.96 -39.43 34.43 Favored 'General case' 0 C--N 1.366 1.307 0 C-N-CA 126.751 2.02 . . . . 1.1299999999999999 112.422 169.627 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 41.1 mm-40 -75.43 -46.42 32.84 Favored 'General case' 0 C--N 1.366 1.308 0 C-N-CA 128.782 2.833 . . . . 0.85999999999999999 111.834 -171.675 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 57.0 p -76.12 -27.93 57.27 Favored 'General case' 0 C--N 1.364 1.201 0 C-N-CA 126.413 1.885 . . . . 1.1200000000000001 111.95 -177.728 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 50.0 t80 -64.87 -52.45 56.5 Favored 'General case' 0 C--N 1.369 1.436 0 C-N-CA 127.595 2.358 . . . . 1.22 112.689 174.943 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -75.17 -33.29 61.46 Favored 'General case' 0 C--N 1.36 1.034 0 N-CA-C 115.84 1.792 . . . . 1.3100000000000001 115.84 -176.493 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 87.0 mt -72.71 -44.31 61.89 Favored 'General case' 0 C--N 1.363 1.161 0 C-N-CA 126.074 1.749 . . . . 1.0900000000000001 114.535 178.198 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -69.81 -31.65 69.65 Favored 'General case' 0 C--N 1.364 1.226 0 C-N-CA 126.746 2.018 . . . . 1.6599999999999999 115.07 173.935 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.5 ptm180 -78.81 -29.03 44.58 Favored 'General case' 0 C--N 1.371 1.519 0 N-CA-C 115.085 1.513 . . . . 2.54 115.085 179.954 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 30.8 mmm-85 -79.72 -22.22 43.61 Favored 'General case' 0 C--N 1.369 1.42 0 C-N-CA 124.017 0.927 . . . . 2.54 112.857 165.776 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -78.29 -32.43 49.41 Favored 'General case' 0 C--N 1.365 1.251 0 O-C-N 120.134 -1.604 . . . . 0.82999999999999996 114.048 179.308 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 11.4 mmt85 -79.53 -44.56 20.94 Favored 'General case' 0 C--N 1.366 1.298 0 C-N-CA 125.56 1.544 . . . . 4.5700000000000003 114.094 178.824 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 66.1 tp60 -90.98 -18.24 24.98 Favored 'General case' 0 C--N 1.363 1.167 0 C-N-CA 127.297 2.239 . . . . 2.5299999999999998 112.494 -173.478 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -142.59 178.98 7.25 Favored 'General case' 0 C--N 1.36 1.05 0 N-CA-C 108.451 -0.944 . . . . 2.04 108.451 -172.327 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 72.2 mtt85 -105.53 -77.57 0.59 Allowed 'General case' 0 C--N 1.367 1.355 0 N-CA-C 106.505 -1.665 . . . . 4.25 106.505 120.676 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . 0.382 15.6 t80 86.94 -55.98 0.05 OUTLIER 'General case' 0 C--N 1.361 1.081 1 C-N-CA 133.633 4.773 . . . . 5.9000000000000004 113.206 149.233 . . . . . . . . 3 2 . 1 . 028 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . 0.276 0.0 OUTLIER -58.65 107.84 0.56 Allowed 'General case' 0 C--N 1.354 0.799 0 C-N-CA 130.999 3.72 . . . . 1.28 114.146 178.32 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.4 t -110.46 -175.96 2.86 Favored 'General case' 0 C--N 1.363 1.189 0 N-CA-C 104.936 -2.246 . . . . 2.04 104.936 176.113 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . 0.255 . . -47.5 -45.78 57.99 Favored Pre-proline 0 C--N 1.365 1.264 0 N-CA-C 120.257 3.429 . . . . 1.23 120.257 -164.262 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_exo -68.83 -34.34 18.36 Favored 'Trans proline' 0 C--N 1.36 1.166 0 C-N-CA 124.285 3.323 . . . . 1.3899999999999999 114.686 178.497 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -93.84 -13.11 27.63 Favored 'General case' 0 C--N 1.364 1.206 0 C-N-CA 126.53 1.932 . . . . 1.72 113.809 179.529 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 52.4 ttp180 -83.99 -28.5 27.69 Favored 'General case' 0 C--N 1.371 1.538 0 C-N-CA 127.007 2.123 . . . . 3.04 111.873 174.428 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 58.4 mm-40 -78.85 -21.52 47.46 Favored 'General case' 0 C--N 1.371 1.519 0 C-N-CA 126.696 1.998 . . . . 1.8600000000000001 112.279 173.174 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 24.6 t60 -83.58 -28.21 28.7 Favored 'General case' 0 C--N 1.363 1.191 0 C-N-CA 128.015 2.526 . . . . 2.0099999999999998 111.35 177.983 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.52 -52.02 30.24 Favored 'General case' 0 C--N 1.37 1.465 0 C-N-CA 129.323 3.049 . . . . 1.1899999999999999 111.49 174.279 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.31 -32.16 73.67 Favored 'General case' 0 C--N 1.356 0.876 0 C-N-CA 129.849 3.26 . . . . 1.0700000000000001 116.07 177.355 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 75.5 m -85.17 -28.63 25.35 Favored 'General case' 0 C--N 1.362 1.132 0 C-N-CA 125.399 1.48 . . . . 1.03 113.568 176.584 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 37.0 tp -74.05 -34.27 64.01 Favored 'General case' 0 C--N 1.361 1.069 0 C-N-CA 126.17 1.788 . . . . 2.3500000000000001 113.321 175.529 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . 0.25 1.5 pt -106.13 -20.75 5.8 Favored 'Isoleucine or valine' 0 C--N 1.365 1.275 0 C-N-CA 124.506 1.122 . . . . 1.0900000000000001 112.162 -173.074 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.7 tpp180 94.78 58.59 0.0 OUTLIER 'General case' 0 C--N 1.378 1.822 0 C-N-CA 130.38 3.472 . . . . 3.6099999999999999 115.162 165.712 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 90.8 mt -130.85 -171.44 2.57 Favored 'General case' 0 C--N 1.358 0.977 0 O-C-N 120.85 -1.156 . . . . 1.1799999999999999 110.044 179.72 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 79.6 p -95.78 147.03 32.35 Favored Pre-proline 0 C--N 1.368 1.372 0 C-N-CA 127.814 2.445 . . . . 1.4099999999999999 108.786 177.897 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -61.11 -22.27 74.18 Favored 'Trans proline' 0 C--N 1.364 1.38 1 C-N-CA 126.146 4.564 . . . . 1.0600000000000001 116.51 172.69 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.6 t -88.07 -27.34 22.03 Favored 'General case' 0 C--N 1.367 1.33 0 C-N-CA 126.017 1.727 . . . . 1.1299999999999999 111.125 -176.214 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -83.39 -33.25 25.81 Favored 'General case' 0 C--N 1.37 1.475 0 CA-C-N 119.681 1.128 . . . . 1.04 112.381 177.728 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.1 p -68.68 -40.58 81.84 Favored 'Isoleucine or valine' 0 C--N 1.379 1.856 0 C-N-CA 125.421 1.489 . . . . 1.0900000000000001 113.496 172.357 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.66 -50.17 74.07 Favored 'General case' 0 C--N 1.375 1.691 0 C-N-CA 129.013 2.925 . . . . 1.74 113.282 173.014 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.278 6.4 mt -85.83 -5.5 9.9 Favored 'Isoleucine or valine' 0 C--N 1.367 1.352 0 N-CA-C 114.758 1.392 . . . . 1.3200000000000001 114.758 -179.29 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 13.6 t90 -75.71 -44.0 44.22 Favored 'General case' 0 C--N 1.379 1.882 0 C-N-CA 125.397 1.479 . . . . 0.34000000000000002 110.626 168.88 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -82.99 -14.61 53.7 Favored 'General case' 0 C--N 1.372 1.574 0 C-N-CA 125.773 1.629 . . . . 0.46000000000000002 113.347 179.226 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -74.33 -41.25 61.42 Favored 'General case' 0 C--N 1.361 1.097 0 C-N-CA 126.946 2.099 . . . . 1.3400000000000001 113.279 172.736 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 50.4 m-20 -90.1 -23.4 21.4 Favored 'General case' 0 C--N 1.367 1.33 0 C-N-CA 125.91 1.684 . . . . 0.85999999999999999 113.633 -172.075 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 11.4 m80 . . . . . 0 C--N 1.365 1.242 0 C-N-CA 126.476 1.91 . . . . 2.3900000000000001 115.411 -179.339 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.9 m . . . . . 0 CA--C 1.521 -0.161 0 N-CA-C 107.763 -1.199 . . . . 1.3100000000000001 107.763 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.9 pptp? -75.66 -11.65 60.05 Favored 'General case' 0 C--N 1.368 1.391 0 C-N-CA 127.319 2.248 . . . . 3.73 116.046 -170.82 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -79.53 -37.09 37.38 Favored 'General case' 0 C--N 1.367 1.342 0 C-N-CA 126.863 2.065 . . . . 1.1299999999999999 112.575 172.54 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 45.9 mm-40 -75.56 -43.57 47.85 Favored 'General case' 0 C--N 1.368 1.395 0 C-N-CA 128.548 2.739 . . . . 0.85999999999999999 111.405 -174.516 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 61.0 p -73.31 -32.97 64.92 Favored 'General case' 0 C--N 1.366 1.319 0 C-N-CA 126.785 2.034 . . . . 1.1200000000000001 112.463 179.799 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -64.17 -50.36 68.46 Favored 'General case' 0 C--N 1.369 1.421 0 C-N-CA 127.798 2.439 . . . . 1.22 112.976 177.115 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -73.64 -35.6 65.31 Favored 'General case' 0 C--N 1.359 0.99 0 N-CA-C 115.394 1.628 . . . . 1.3100000000000001 115.394 -177.259 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 90.8 mt -70.43 -42.55 71.41 Favored 'General case' 0 C--N 1.363 1.186 0 C-N-CA 126.189 1.795 . . . . 1.0900000000000001 114.667 178.509 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -68.47 -33.52 74.31 Favored 'General case' 0 C--N 1.363 1.167 0 C-N-CA 126.872 2.069 . . . . 1.6599999999999999 115.299 171.974 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.5 ptm180 -78.55 -27.03 45.79 Favored 'General case' 0 C--N 1.366 1.323 0 N-CA-C 115.896 1.813 . . . . 2.54 115.896 -177.544 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.269 1.6 mmm180 -78.07 -31.08 50.01 Favored 'General case' 0 C--N 1.369 1.442 0 C-N-CA 123.734 0.814 . . . . 2.54 112.016 164.029 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -70.65 -25.44 63.01 Favored 'General case' 0 C--N 1.371 1.534 0 C-N-CA 126.932 2.093 . . . . 0.82999999999999996 114.52 -178.578 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 37.3 mmt-85 -79.31 -37.98 36.39 Favored 'General case' 0 C--N 1.366 1.326 0 C-N-CA 125.599 1.56 . . . . 4.5700000000000003 113.3 178.899 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 62.3 tp60 -91.14 -25.08 19.76 Favored 'General case' 0 C--N 1.364 1.225 0 C-N-CA 127.983 2.513 . . . . 2.5299999999999998 112.632 -175.116 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -159.66 154.12 23.99 Favored 'General case' 0 C--N 1.364 1.213 0 N-CA-C 107.297 -1.371 . . . . 2.04 107.297 -172.502 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 77.9 mtt85 -105.17 -35.69 7.51 Favored 'General case' 0 C--N 1.36 1.026 0 C-N-CA 125.163 1.385 . . . . 4.25 109.734 -179.634 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 -116.83 137.77 51.97 Favored 'General case' 0 C--N 1.358 0.977 0 C-N-CA 126.301 1.84 . . . . 5.9000000000000004 109.034 -178.222 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -148.26 116.2 6.41 Favored 'General case' 0 CA--C 1.5 -0.975 0 C-N-CA 128.843 2.857 . . . . 1.28 103.96 -174.459 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . 2.311 15.1 t -96.7 177.18 5.73 Favored 'General case' 0 C--N 1.375 1.701 0 C-N-CA 127.358 2.263 . . . . 2.04 107.259 -170.127 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . 2.281 . . -9.73 -76.32 0.0 OUTLIER Pre-proline 0 C--N 1.361 1.101 2 C-N-CA 133.015 4.526 . . . . 1.23 122.558 -178.761 . . . . . . . . 3 2 . 1 . 029 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -74.29 -40.34 1.24 Allowed 'Trans proline' 0 C--N 1.363 1.338 1 C-N-CA 125.603 4.202 . . . . 1.3899999999999999 111.615 -160.646 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -81.16 -25.03 37.15 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 128.37 2.668 . . . . 1.72 114.94 174.272 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.36 -37.09 26.14 Favored 'General case' 0 C--N 1.38 1.935 0 CA-C-N 121.179 1.809 . . . . 3.04 112.26 -172.952 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -85.13 -19.12 32.3 Favored 'General case' 0 C--N 1.368 1.383 0 C-N-CA 127.575 2.35 . . . . 1.8600000000000001 111.732 -178.673 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 57.4 t-80 -81.58 -23.35 37.16 Favored 'General case' 0 C--N 1.368 1.37 0 C-N-CA 127.625 2.37 . . . . 2.0099999999999998 112.252 175.033 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -69.48 -42.28 75.02 Favored 'General case' 0 C--N 1.368 1.41 0 C-N-CA 127.836 2.455 . . . . 1.1899999999999999 111.722 167.89 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.99 -32.16 71.52 Favored 'General case' 0 C--N 1.363 1.191 0 C-N-CA 127.815 2.446 . . . . 1.0700000000000001 115.789 173.599 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 66.4 m -83.95 -33.33 24.68 Favored 'General case' 0 C--N 1.361 1.076 0 C-N-CA 125.127 1.371 . . . . 1.03 113.976 -177.251 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 69.1 mt -84.21 -24.77 29.91 Favored 'General case' 0 C--N 1.359 1.003 0 C-N-CA 125.539 1.536 . . . . 2.3500000000000001 113.419 177.348 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.6 pt -95.2 -22.11 5.45 Favored 'Isoleucine or valine' 0 C--N 1.37 1.493 0 CA-C-N 119.116 0.871 . . . . 1.0900000000000001 112.276 176.392 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 85.47 63.55 0.01 OUTLIER 'General case' 0 C--N 1.373 1.599 0 C-N-CA 129.475 3.11 . . . . 3.6099999999999999 111.697 172.132 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 87.5 mt -139.19 -174.55 3.89 Favored 'General case' 0 C--N 1.361 1.075 0 N-CA-C 107.124 -1.436 . . . . 1.1799999999999999 107.124 170.9 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 81.6 p -95.82 148.51 34.67 Favored Pre-proline 0 C--N 1.368 1.398 0 C-N-CA 126.29 1.836 . . . . 1.4099999999999999 109.216 -179.04 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_exo -60.71 -20.95 67.86 Favored 'Trans proline' 0 C--N 1.367 1.537 1 C-N-CA 126.139 4.559 . . . . 1.0600000000000001 116.471 171.911 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.6 t -87.05 -28.61 22.48 Favored 'General case' 0 C--N 1.367 1.329 0 C-N-CA 126.256 1.822 . . . . 1.1299999999999999 111.387 -177.395 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -83.84 -29.82 26.98 Favored 'General case' 0 C--N 1.373 1.612 0 CA-C-N 119.446 1.021 . . . . 1.04 112.916 177.484 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.1 p -68.61 -40.99 82.59 Favored 'Isoleucine or valine' 0 C--N 1.38 1.902 0 C-N-CA 124.962 1.305 . . . . 1.0900000000000001 111.737 170.883 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . 0.3 0.0 OUTLIER -65.33 -34.61 78.74 Favored 'General case' 0 C--N 1.37 1.472 0 N-CA-C 116.976 2.213 . . . . 1.74 116.976 171.243 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.278 0.3 OUTLIER -77.28 -15.49 14.47 Favored 'Isoleucine or valine' 0 C--N 1.384 2.091 0 CA-C-N 121.591 1.996 . . . . 1.3200000000000001 114.016 170.087 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 39.8 t90 -73.38 -41.34 63.48 Favored 'General case' 0 C--N 1.381 1.941 0 C-N-CA 125.569 1.548 . . . . 0.34000000000000002 112.415 175.4 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -83.51 -12.51 56.15 Favored 'General case' 0 C--N 1.369 1.414 0 C-N-CA 126.028 1.731 . . . . 0.46000000000000002 112.689 179.19 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -72.79 -44.04 62.02 Favored 'General case' 0 C--N 1.366 1.306 0 C-N-CA 127.01 2.124 . . . . 1.3400000000000001 112.603 164.975 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 45.2 m-20 -92.37 -13.78 29.64 Favored 'General case' 0 C--N 1.366 1.322 0 N-CA-C 116.514 2.042 . . . . 0.85999999999999999 116.514 -164.566 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 . . . . . 0 C--N 1.365 1.263 0 CA-C-N 120.583 1.538 . . . . 2.3900000000000001 112.761 166.453 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 36.3 m . . . . . 0 CA--C 1.518 -0.286 0 N-CA-C 107.371 -1.344 . . . . 1.3100000000000001 107.371 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 36.3 mttp -85.05 19.99 2.01 Favored 'General case' 0 C--N 1.37 1.46 0 C-N-CA 127.12 2.168 . . . . 3.73 114.692 -169.662 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.33 -49.48 8.11 Favored 'General case' 0 C--N 1.36 1.033 0 C-N-CA 126.65 1.98 . . . . 1.1299999999999999 112.157 154.455 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 40.1 mm-40 -78.59 -48.8 14.45 Favored 'General case' 0 C--N 1.368 1.372 0 C-N-CA 128.671 2.788 . . . . 0.85999999999999999 112.43 -166.704 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 70.3 p -70.75 -30.23 66.68 Favored 'General case' 0 C--N 1.369 1.436 0 C-N-CA 127.863 2.465 . . . . 1.1200000000000001 112.358 179.57 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 51.8 t80 -67.07 -49.8 63.85 Favored 'General case' 0 C--N 1.365 1.263 0 C-N-CA 129.146 2.978 . . . . 1.22 112.882 179.121 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -72.52 -37.1 68.44 Favored 'General case' 0 C--N 1.361 1.078 0 C-N-CA 126.216 1.807 . . . . 1.3100000000000001 115.501 -178.846 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 94.4 mt -69.5 -41.7 75.72 Favored 'General case' 0 C--N 1.363 1.165 0 C-N-CA 125.881 1.672 . . . . 1.0900000000000001 114.807 177.769 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -71.0 -32.82 69.73 Favored 'General case' 0 C--N 1.364 1.22 0 C-N-CA 126.201 1.8 . . . . 1.6599999999999999 114.862 175.136 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.2 ptp180 -74.26 -40.61 62.23 Favored 'General case' 0 C--N 1.375 1.715 0 N-CA-C 114.727 1.38 . . . . 2.54 114.727 179.216 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.613 3.1 ptm180 -86.43 2.67 46.88 Favored 'General case' 0 C--N 1.367 1.34 0 N-CA-C 116.215 1.931 . . . . 2.54 116.215 176.883 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 27.8 t80 -78.35 -42.39 30.63 Favored 'General case' 0 C--N 1.381 1.957 0 C-N-CA 126.587 1.955 . . . . 0.82999999999999996 112.888 152.349 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.75 -29.33 62.16 Favored 'General case' 0 C--N 1.368 1.394 0 C-N-CA 126.878 2.071 . . . . 4.5700000000000003 113.094 -176.421 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 62.9 tp60 -87.84 -27.53 22.19 Favored 'General case' 0 C--N 1.367 1.349 0 C-N-CA 127.622 2.369 . . . . 2.5299999999999998 112.182 -179.824 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -169.74 163.76 9.92 Favored 'General case' 0 C--N 1.369 1.432 0 CA-C-O 122.19 0.995 . . . . 2.04 109.416 178.634 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.4 mtp-105 -105.42 -38.79 6.36 Favored 'General case' 0 C--N 1.355 0.823 0 C-N-CA 127.241 2.216 . . . . 4.25 113.512 -177.142 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 51.9 p90 -77.83 -24.06 48.8 Favored 'General case' 0 C--N 1.365 1.264 0 N-CA-C 116.754 2.131 . . . . 5.9000000000000004 116.754 -150.432 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.406 HD13 ' HB2' ' A' ' 39' ' ' ARG 0.263 0.5 OUTLIER -33.22 106.57 0.04 OUTLIER 'General case' 0 N--CA 1.487 1.423 1 C-N-CA 132.899 4.48 . . . . 1.28 116.891 -164.398 . . . . . . . . 5 4 . 1 . 030 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 14.4 m -110.55 171.2 7.6 Favored 'General case' 0 C--N 1.355 0.843 0 C-N-CA 129.776 3.23 . . . . 2.04 106.03 -173.985 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -39.09 -37.76 0.61 Allowed Pre-proline 0 C--N 1.368 1.396 1 N-CA-C 122.122 4.119 . . . . 1.23 122.122 -164.995 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo -65.62 -33.56 44.86 Favored 'Trans proline' 0 C--N 1.358 1.032 0 C-N-CA 124.403 3.402 . . . . 1.3899999999999999 115.502 175.619 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -103.81 -24.69 13.29 Favored 'General case' 0 C--N 1.362 1.129 0 C-N-CA 126.393 1.877 . . . . 1.72 114.865 177.646 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.406 ' HB2' HD13 ' A' ' 34' ' ' LEU . 0.7 OUTLIER -82.22 -35.27 28.41 Favored 'General case' 0 C--N 1.374 1.661 0 C-N-CA 126.226 1.811 . . . . 3.04 111.153 -176.75 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -83.0 -20.49 35.01 Favored 'General case' 0 C--N 1.373 1.602 0 C-N-CA 126.222 1.809 . . . . 1.8600000000000001 112.293 179.032 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 23.1 t60 -78.44 -28.31 46.67 Favored 'General case' 0 C--N 1.367 1.338 0 C-N-CA 128.155 2.582 . . . . 2.0099999999999998 111.187 175.722 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -71.95 -38.72 69.73 Favored 'General case' 0 C--N 1.37 1.492 0 C-N-CA 127.802 2.441 . . . . 1.1899999999999999 112.73 170.902 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -74.7 -28.72 60.94 Favored 'General case' 0 C--N 1.361 1.104 0 C-N-CA 127.392 2.277 . . . . 1.0700000000000001 113.877 -179.387 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 59.2 m -85.18 -29.34 24.81 Favored 'General case' 0 C--N 1.361 1.078 0 C-N-CA 126.122 1.769 . . . . 1.03 113.53 175.08 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -75.11 -36.82 61.64 Favored 'General case' 0 C--N 1.364 1.23 0 C-N-CA 127.183 2.193 . . . . 2.3500000000000001 112.515 177.222 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.5 pt -103.14 -19.27 6.24 Favored 'Isoleucine or valine' 0 C--N 1.366 1.294 0 C-N-CA 124.277 1.031 . . . . 1.0900000000000001 112.355 -173.922 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 13.2 tpp85 83.24 66.93 0.02 OUTLIER 'General case' 0 C--N 1.372 1.562 0 C-N-CA 128.995 2.918 . . . . 3.6099999999999999 113.313 174.102 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 86.5 mt -141.55 -170.35 3.08 Favored 'General case' 0 C--N 1.359 1.014 0 N-CA-C 107.095 -1.446 . . . . 1.1799999999999999 107.095 173.746 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 18.8 p -109.71 158.49 34.66 Favored Pre-proline 0 C--N 1.367 1.352 0 C-N-CA 126.275 1.83 . . . . 1.4099999999999999 110.538 -175.649 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_exo -67.04 -25.26 44.27 Favored 'Trans proline' 0 C--N 1.373 1.86 1 C-N-CA 125.866 4.377 . . . . 1.0600000000000001 115.765 -174.78 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 12.4 t -87.3 -26.92 23.19 Favored 'General case' 0 C--N 1.365 1.253 0 C-N-CA 127.035 2.134 . . . . 1.1299999999999999 111.132 -173.896 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -84.6 -33.79 23.29 Favored 'General case' 0 C--N 1.371 1.51 0 C-N-CA 124.239 1.016 . . . . 1.04 112.442 178.697 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.1 p -67.55 -36.89 77.65 Favored 'Isoleucine or valine' 0 C--N 1.381 1.944 0 C-N-CA 124.432 1.093 . . . . 1.0900000000000001 113.013 168.627 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.9 -56.96 9.79 Favored 'General case' 0 C--N 1.37 1.499 0 C-N-CA 128.606 2.762 . . . . 1.74 115.162 168.849 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.271 7.2 mt -84.22 -8.36 11.21 Favored 'Isoleucine or valine' 0 C--N 1.367 1.366 0 N-CA-C 115.009 1.485 . . . . 1.3200000000000001 115.009 -176.448 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 57.1 t90 -75.45 -43.42 49.64 Favored 'General case' 0 C--N 1.378 1.827 0 C-N-CA 124.747 1.219 . . . . 0.34000000000000002 110.864 167.775 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -82.24 -12.89 57.8 Favored 'General case' 0 C--N 1.368 1.389 0 C-N-CA 126.593 1.957 . . . . 0.46000000000000002 113.038 -179.261 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -77.67 -42.84 33.22 Favored 'General case' 0 C--N 1.363 1.185 0 C-N-CA 127.532 2.333 . . . . 1.3400000000000001 111.911 172.425 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 69.6 m-20 -87.69 -20.1 26.74 Favored 'General case' 0 C--N 1.366 1.298 0 C-N-CA 126.458 1.903 . . . . 0.85999999999999999 113.027 -175.868 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 5.9 m80 . . . . . 0 C--N 1.365 1.254 0 C-N-CA 125.917 1.687 . . . . 2.3900000000000001 114.338 178.895 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.485 0.184 . . . . 17.23 110.746 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.0 p -107.82 -31.94 7.82 Favored 'General case' 0 C--N 1.364 1.234 0 C-N-CA 126.66 1.984 . . . . 16.920000000000002 108.656 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 -131.32 70.05 1.47 Allowed 'General case' 0 C--N 1.362 1.112 0 N-CA-C 105.71 -1.959 . . . . 17.010000000000002 105.71 176.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.45 159.29 9.14 Favored Glycine 0 C--N 1.357 1.7 0 N-CA-C 106.245 -2.742 . . . . 15.789999999999999 106.245 -179.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -163.44 145.4 7.65 Favored Pre-proline 0 C--N 1.36 1.038 0 N-CA-C 105.724 -1.954 . . . . 16.199999999999999 105.724 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -91.84 66.89 1.0 Allowed 'Trans proline' 0 C--N 1.367 1.536 0 CA-C-N 125.463 2.987 . . . . 14.32 110.204 175.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 71.9 m-80 -145.46 179.46 7.39 Favored 'General case' 0 C--N 1.359 0.982 0 N-CA-C 105.15 -2.167 . . . . 15.539999999999999 105.15 -179.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? -137.58 100.12 4.13 Favored 'General case' 0 C--N 1.359 0.984 0 N-CA-C 106.048 -1.834 . . . . 17.260000000000002 106.048 176.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -153.72 -84.5 0.07 Allowed 'General case' 0 C--N 1.358 0.958 0 N-CA-C 105.042 -2.207 . . . . 14.380000000000001 105.042 176.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.7 mmm180 -149.19 119.96 7.56 Favored 'General case' 0 C--N 1.36 1.056 0 N-CA-C 106.165 -1.791 . . . . 13.85 106.165 -177.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . 2.322 0.0 OUTLIER 81.18 55.1 0.02 OUTLIER 'General case' 0 C--N 1.371 1.502 0 C-N-CA 130.003 3.321 . . . . 13.210000000000001 115.065 -9.298 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 90.7 mmt-85 -91.48 124.57 35.75 Favored 'General case' 0 C--N 1.372 1.584 1 C-N-CA 134.613 5.165 . . . . 10.609999999999999 112.853 8.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.59 169.94 13.89 Favored 'General case' 0 N--CA 1.426 -1.647 0 C-N-CA 129.697 3.199 . . . . 8.1999999999999993 114.341 176.637 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 24.1 m -130.92 135.72 59.51 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.868 0 N-CA-C 104.017 -2.586 . . . . 4.5700000000000003 104.017 146.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.4 mt -138.24 107.58 6.12 Favored 'General case' 0 C--N 1.355 0.846 0 N-CA-C 105.48 -2.044 . . . . 5.2400000000000002 105.48 176.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 20.5 m-30 -105.25 154.06 20.75 Favored 'General case' 0 N--CA 1.439 -0.999 0 C-N-CA 129.144 2.978 . . . . 1.6399999999999999 109.921 -172.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . 0.275 7.5 m -95.43 -173.6 2.95 Favored 'General case' 0 C--N 1.375 1.701 0 C-N-CA 126.529 1.932 . . . . 1.3100000000000001 111.418 -175.534 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.7 pttp -75.89 -10.37 59.37 Favored 'General case' 0 C--N 1.369 1.441 0 N-CA-C 117.758 2.503 . . . . 3.73 117.758 -157.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -83.24 -41.05 18.81 Favored 'General case' 0 C--N 1.362 1.15 0 C-N-CA 125.62 1.568 . . . . 1.1299999999999999 111.999 167.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 57.7 mm-40 -75.77 -44.31 42.15 Favored 'General case' 0 C--N 1.368 1.39 0 C-N-CA 128.422 2.689 . . . . 0.85999999999999999 111.445 -173.036 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 61.6 p -73.03 -26.59 61.36 Favored 'General case' 0 C--N 1.369 1.417 0 C-N-CA 127.637 2.375 . . . . 1.1200000000000001 112.509 179.01 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 53.0 t80 -67.58 -52.68 35.66 Favored 'General case' 0 C--N 1.371 1.507 0 C-N-CA 127.825 2.45 . . . . 1.22 112.316 176.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -71.9 -35.19 69.63 Favored 'General case' 0 C--N 1.363 1.163 0 N-CA-C 115.469 1.655 . . . . 1.3100000000000001 115.469 -177.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 93.9 mt -72.18 -40.96 67.55 Favored 'General case' 0 C--N 1.359 0.998 0 C-N-CA 126.035 1.734 . . . . 1.0900000000000001 114.962 178.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -71.4 -30.98 66.73 Favored 'General case' 0 C--N 1.361 1.088 0 C-N-CA 125.598 1.559 . . . . 1.6599999999999999 115.135 172.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.1 ptm180 -78.64 -26.94 45.26 Favored 'General case' 0 C--N 1.371 1.511 0 N-CA-C 114.735 1.384 . . . . 2.54 114.735 -178.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 39.8 mmm-85 -79.02 -27.09 43.21 Favored 'General case' 0 C--N 1.368 1.399 0 C-N-CA 124.038 0.935 . . . . 2.54 112.939 163.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -73.86 -17.81 61.01 Favored 'General case' 0 C--N 1.369 1.45 0 CA-C-N 120.535 1.516 . . . . 0.82999999999999996 114.301 177.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 39.0 mmt-85 -83.8 -46.18 12.49 Favored 'General case' 0 C--N 1.365 1.28 0 C-N-CA 125.961 1.704 . . . . 4.5700000000000003 112.676 174.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 68.2 tp60 -90.94 -23.99 20.29 Favored 'General case' 0 C--N 1.367 1.362 0 C-N-CA 127.474 2.309 . . . . 2.5299999999999998 113.102 -174.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -126.47 170.74 11.67 Favored 'General case' 0 C--N 1.365 1.272 0 C-N-CA 125.07 1.348 . . . . 2.04 108.162 -177.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 62.8 mtt85 -107.12 -41.48 5.14 Favored 'General case' 0 C--N 1.361 1.07 0 C-N-CA 126.836 2.054 . . . . 4.25 110.381 165.084 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 33.6 p90 -144.52 152.37 40.49 Favored 'General case' 0 C--N 1.36 1.025 0 C-N-CA 127.157 2.183 . . . . 5.9000000000000004 106.337 -161.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -150.36 120.93 7.45 Favored 'General case' 0 N--CA 1.441 -0.875 0 N-CA-C 104.212 -2.514 . . . . 1.28 104.212 -174.335 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.6 p -84.35 162.93 19.86 Favored 'General case' 0 C--N 1.372 1.571 0 C-N-CA 127.886 2.474 . . . . 2.04 111.234 -173.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.26 -36.98 31.08 Favored Pre-proline 0 C--N 1.367 1.353 0 N-CA-C 120.466 3.506 . . . . 1.23 120.466 -170.306 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -67.51 -29.19 37.58 Favored 'Trans proline' 0 C--N 1.36 1.142 0 C-N-CA 124.082 3.188 . . . . 1.3899999999999999 114.669 175.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.265 0.9 OUTLIER -104.45 -17.1 14.88 Favored 'General case' 0 C--N 1.361 1.091 0 C-N-CA 126.681 1.992 . . . . 1.72 114.974 178.611 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 56.0 ttp85 -82.96 -37.43 24.1 Favored 'General case' 0 C--N 1.376 1.727 0 C-N-CA 126.26 1.824 . . . . 3.04 112.164 178.097 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -77.96 -20.86 51.92 Favored 'General case' 0 C--N 1.367 1.34 0 C-N-CA 126.943 2.097 . . . . 1.8600000000000001 112.351 177.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 34.9 t-80 -81.2 -28.89 34.73 Favored 'General case' 0 C--N 1.364 1.233 0 C-N-CA 128.374 2.669 . . . . 2.0099999999999998 111.486 175.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -75.23 -30.59 60.59 Favored 'General case' 0 C--N 1.369 1.449 0 C-N-CA 128.444 2.698 . . . . 1.1899999999999999 112.354 172.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.63 -27.2 34.26 Favored 'General case' 0 C--N 1.364 1.239 0 C-N-CA 127.67 2.388 . . . . 1.0700000000000001 112.939 177.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 69.0 m -85.06 -26.15 27.16 Favored 'General case' 0 C--N 1.362 1.125 0 C-N-CA 126.215 1.806 . . . . 1.03 113.075 173.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 48.3 tp -75.33 -37.67 60.61 Favored 'General case' 0 C--N 1.362 1.148 0 C-N-CA 127.327 2.251 . . . . 2.3500000000000001 112.434 176.127 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.0 pt -103.86 -21.49 5.25 Favored 'Isoleucine or valine' 0 C--N 1.366 1.311 0 C-N-CA 123.861 0.864 . . . . 1.0900000000000001 112.27 -173.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 8.5 tpp180 83.69 68.72 0.02 OUTLIER 'General case' 0 C--N 1.371 1.505 0 C-N-CA 129.082 2.953 . . . . 3.6099999999999999 113.812 175.225 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 77.2 mt -139.83 -172.52 3.41 Favored 'General case' 0 C--N 1.36 1.044 0 N-CA-C 107.844 -1.169 . . . . 1.1799999999999999 107.844 171.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 66.8 p -94.6 149.54 36.66 Favored Pre-proline 0 C--N 1.371 1.515 0 C-N-CA 127.59 2.356 . . . . 1.4099999999999999 108.712 179.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_exo -58.16 -24.63 67.69 Favored 'Trans proline' 0 C--N 1.362 1.252 1 C-N-CA 126.45 4.767 . . . . 1.0600000000000001 117.123 171.099 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.3 t -89.06 -28.44 20.13 Favored 'General case' 0 C--N 1.365 1.255 0 C-N-CA 125.024 1.33 . . . . 1.1299999999999999 111.546 -174.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -82.55 -31.62 29.02 Favored 'General case' 0 C--N 1.371 1.533 0 C-N-CA 124.274 1.03 . . . . 1.04 112.438 178.191 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 10.7 p -69.22 -43.12 81.65 Favored 'Isoleucine or valine' 0 C--N 1.378 1.834 0 C-N-CA 125.128 1.371 . . . . 1.0900000000000001 113.295 171.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.58 -46.32 89.27 Favored 'General case' 0 C--N 1.374 1.673 0 C-N-CA 126.848 2.059 . . . . 1.74 115.078 175.668 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.287 8.2 mt -84.41 -6.46 10.31 Favored 'Isoleucine or valine' 0 C--N 1.369 1.421 0 N-CA-C 114.407 1.262 . . . . 1.3200000000000001 114.407 176.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 31.9 t90 -71.77 -43.09 66.33 Favored 'General case' 0 C--N 1.381 1.937 0 CA-C-N 120.335 1.425 . . . . 0.34000000000000002 111.421 165.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -79.32 -16.07 56.92 Favored 'General case' 0 C--N 1.372 1.553 0 C-N-CA 125.276 1.431 . . . . 0.46000000000000002 113.648 178.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -76.27 -38.81 55.7 Favored 'General case' 0 C--N 1.363 1.161 0 C-N-CA 127.215 2.206 . . . . 1.3400000000000001 112.865 170.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 55.0 m-20 -87.65 -19.79 27.23 Favored 'General case' 0 C--N 1.365 1.28 0 C-N-CA 126.262 1.825 . . . . 0.85999999999999999 113.001 -173.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 8.5 m80 -80.23 -27.05 38.82 Favored 'General case' 0 C--N 1.365 1.265 0 C-N-CA 126.554 1.942 . . . . 2.3900000000000001 114.672 178.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 2.8 ptm180 -86.62 50.57 2.03 Favored 'General case' 0 C--N 1.366 1.298 0 C-N-CA 127.577 2.351 . . . . 3.9100000000000001 113.531 171.122 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -145.08 49.34 1.27 Allowed 'General case' 0 C--N 1.375 1.697 0 CA-C-N 120.686 1.584 . . . . 6.3799999999999999 111.524 -166.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . 0.263 9.3 ptmm? 57.37 46.9 17.51 Favored 'General case' 0 N--CA 1.497 1.877 0 C-N-CA 127.431 2.293 . . . . 5.9000000000000004 114.431 171.146 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 5.5 m -85.63 -19.95 30.21 Favored 'General case' 0 C--N 1.366 1.283 0 N-CA-C 117.619 2.452 . . . . 4.0999999999999996 117.619 -138.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -86.22 53.35 2.77 Favored 'General case' 0 C--N 1.367 1.333 0 C-N-CA 126.188 1.795 . . . . 8.1699999999999999 113.904 -175.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 24.7 ptt-85 -177.28 171.81 1.97 Allowed 'General case' 0 C--N 1.357 0.933 0 N-CA-C 102.945 -2.983 . . . . 11.25 102.945 174.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -89.62 16.82 7.17 Favored 'General case' 0 C--N 1.369 1.437 0 C-N-CA 124.788 1.235 . . . . 9.0999999999999996 113.444 179.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -94.98 83.8 4.02 Favored 'General case' 0 C--N 1.362 1.119 0 C-N-CA 125.785 1.634 . . . . 9.6899999999999995 107.035 163.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -140.09 66.97 1.38 Allowed 'General case' 0 N--CA 1.444 -0.729 0 N-CA-C 102.541 -3.133 . . . . 12.300000000000001 102.541 -178.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . 0.406 0.8 OUTLIER -49.6 -60.36 2.94 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 121.143 3.756 . . . . 12.73 121.143 -172.753 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 37.2 mtmm -118.59 122.76 43.38 Favored 'General case' 0 C--N 1.377 1.775 0 CA-C-N 123.456 2.844 . . . . 16.57 106.65 177.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 86.54 70.95 1.3 Allowed Glycine 0 C--N 1.36 1.876 0 C-N-CA 126.518 2.009 . . . . 15.41 111.796 -179.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -135.21 111.49 9.71 Favored 'General case' 0 N--CA 1.421 -1.887 0 C-N-CA 127.083 2.153 . . . . 14.050000000000001 107.281 176.637 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -112.6 69.39 0.69 Allowed 'General case' 0 N--CA 1.444 -0.77 0 C-N-CA 131.252 3.821 . . . . 14.869999999999999 108.211 178.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 102.89 -99.91 1.87 Allowed Glycine 0 C--N 1.361 1.936 0 C-N-CA 126.197 1.855 . . . . 15.93 108.657 -177.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 61.5 t-80 -149.33 85.04 5.95 Favored Pre-proline 0 C--N 1.357 0.928 0 N-CA-C 104.554 -2.387 . . . . 18.370000000000001 104.554 173.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo . . . . . 0 C--O 1.263 1.744 0 C-N-CA 123.473 2.782 . . . . 17.68 108.818 -176.969 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.322 0 CA-C-O 120.531 0.205 . . . . 17.23 110.786 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.7 m -135.09 25.9 3.56 Favored 'General case' 0 C--N 1.36 1.045 0 C-N-CA 125.434 1.494 . . . . 16.920000000000002 107.062 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -123.67 71.07 1.08 Allowed 'General case' 0 C--N 1.368 1.398 0 N-CA-C 106.874 -1.528 . . . . 17.010000000000002 106.874 -177.137 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.78 -139.79 5.2 Favored Glycine 0 C--N 1.356 1.66 0 N-CA-C 107.246 -2.341 . . . . 15.789999999999999 107.246 -178.362 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . 0.263 15.4 mt -118.87 -56.86 0.04 OUTLIER Pre-proline 0 C--N 1.362 1.14 0 CA-C-O 115.903 -1.998 . . . . 16.199999999999999 111.276 179.751 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -90.95 80.9 0.43 Allowed 'Trans proline' 0 C--N 1.366 1.472 0 CA-C-N 125.328 2.938 . . . . 14.32 109.892 -170.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 28.4 p30 -91.18 72.13 6.26 Favored 'General case' 0 C--N 1.366 1.288 0 C-N-CA 126.408 1.883 . . . . 15.539999999999999 111.445 -176.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.0 pttm -164.24 -54.87 0.03 OUTLIER 'General case' 0 CA--C 1.501 -0.922 0 N-CA-C 105.901 -1.889 . . . . 17.260000000000002 105.901 177.426 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -142.66 106.32 4.66 Favored 'General case' 0 C--N 1.359 0.992 0 N-CA-C 104.943 -2.243 . . . . 14.380000000000001 104.943 -179.013 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.482 ' HB2' ' H ' ' A' ' 12' ' ' ARG . 13.7 ptp180 -132.7 146.09 51.57 Favored 'General case' 0 C--N 1.359 0.986 0 N-CA-C 105.084 -2.191 . . . . 13.85 105.084 177.594 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . 0.383 75.8 mmtt 104.24 -57.79 0.0 OUTLIER 'General case' 0 C--N 1.373 1.6 1 C-N-CA 137.026 6.13 . . . . 13.210000000000001 108.898 6.833 . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.482 ' H ' ' HB2' ' A' ' 10' ' ' ARG . 36.5 ttm-85 -71.83 -52.31 18.13 Favored 'General case' 0 N--CA 1.428 -1.532 0 N-CA-C 119.343 3.09 . . . . 10.609999999999999 119.343 -176.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 48.9 mmm-85 -104.55 -163.34 0.96 Allowed 'General case' 0 C--N 1.375 1.717 1 C-N-CA 133.936 4.895 . . . . 8.1999999999999993 106.656 12.067 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 30.8 m -68.63 136.77 25.74 Favored 'Isoleucine or valine' 0 C--N 1.353 0.731 0 C-N-CA 128.593 2.757 . . . . 4.5700000000000003 112.755 169.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 17.9 mt -117.77 92.49 3.85 Favored 'General case' 0 C--N 1.356 0.889 0 C-N-CA 124.985 1.314 . . . . 5.2400000000000002 108.696 177.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 8.9 m-30 -105.16 151.85 23.54 Favored 'General case' 0 C--N 1.367 1.339 0 C-N-CA 128.684 2.794 . . . . 1.6399999999999999 107.103 175.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.7 m -112.52 -168.51 1.33 Allowed 'General case' 0 C--N 1.362 1.11 0 C-N-CA 126.681 1.992 . . . . 1.3100000000000001 107.633 172.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 65.2 mttt -85.08 4.89 31.96 Favored 'General case' 0 C--N 1.367 1.343 0 C-N-CA 127.278 2.231 . . . . 3.73 113.875 -172.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -83.92 -37.51 22.25 Favored 'General case' 0 C--N 1.363 1.192 0 C-N-CA 126.689 1.996 . . . . 1.1299999999999999 112.526 165.024 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 45.7 mm-40 -77.21 -51.9 10.15 Favored 'General case' 0 C--N 1.368 1.371 0 C-N-CA 129.033 2.933 . . . . 0.85999999999999999 111.792 -170.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 72.5 p -65.11 -38.32 90.32 Favored 'General case' 0 C--N 1.371 1.528 0 C-N-CA 127.506 2.322 . . . . 1.1200000000000001 113.093 178.081 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 48.9 t80 -58.73 -57.3 13.63 Favored 'General case' 0 C--N 1.37 1.488 0 C-N-CA 129.013 2.925 . . . . 1.22 112.815 177.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -67.46 -36.74 81.76 Favored 'General case' 0 C--N 1.367 1.348 0 C-N-CA 126.598 1.959 . . . . 1.3100000000000001 115.169 -175.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 98.5 mt -66.93 -37.46 84.36 Favored 'General case' 0 C--N 1.364 1.239 0 C-N-CA 126.369 1.868 . . . . 1.0900000000000001 115.664 176.355 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -76.51 -28.58 56.45 Favored 'General case' 0 C--N 1.361 1.097 0 C-N-CA 126.488 1.915 . . . . 1.6599999999999999 114.516 176.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 11.0 mtm180 -69.6 -45.05 69.48 Favored 'General case' 0 C--N 1.377 1.77 0 C-N-CA 124.638 1.175 . . . . 2.54 112.442 176.495 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.296 43.4 mmm-85 -70.39 -30.16 66.99 Favored 'General case' 0 C--N 1.38 1.926 0 CA-C-N 115.448 -0.796 . . . . 2.54 112.063 -179.35 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 34.8 t80 -68.68 -35.53 77.34 Favored 'General case' 0 C--N 1.375 1.674 0 C-N-CA 127.879 2.472 . . . . 0.82999999999999996 113.82 -178.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 11.4 mmm-85 -76.09 -23.05 54.94 Favored 'General case' 0 C--N 1.365 1.279 0 C-N-CA 125.387 1.475 . . . . 4.5700000000000003 114.961 177.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -93.62 -27.18 16.73 Favored 'General case' 0 N--CA 1.434 -1.268 0 C-N-CA 128.383 2.673 . . . . 2.5299999999999998 112.443 179.072 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -171.25 152.7 3.44 Favored 'General case' 0 C--N 1.367 1.349 0 N-CA-C 106.61 -1.626 . . . . 2.04 106.61 -168.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 90.3 mtt-85 -105.06 -34.07 8.09 Favored 'General case' 0 C--N 1.36 1.046 0 C-N-CA 124.6 1.16 . . . . 4.25 110.206 -179.243 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -113.99 137.1 52.15 Favored 'General case' 0 C--N 1.358 0.936 0 C-N-CA 126.189 1.796 . . . . 5.9000000000000004 108.443 178.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -146.98 120.98 9.37 Favored 'General case' 0 CA--C 1.5 -0.944 0 N-CA-C 102.656 -3.09 . . . . 1.28 102.656 -175.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 28.4 p -92.4 166.4 12.58 Favored 'General case' 0 C--N 1.365 1.262 0 C-N-CA 127.278 2.231 . . . . 2.04 109.647 -170.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -46.78 -35.6 5.5 Favored Pre-proline 0 C--N 1.366 1.309 0 N-CA-C 120.761 3.615 . . . . 1.23 120.761 -171.035 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_exo -67.25 -31.46 35.57 Favored 'Trans proline' 0 C--N 1.36 1.154 0 C-N-CA 124.337 3.358 . . . . 1.3899999999999999 115.186 173.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -103.49 -20.04 14.18 Favored 'General case' 0 C--N 1.362 1.137 0 C-N-CA 126.395 1.878 . . . . 1.72 114.798 177.027 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 43.0 ttp180 -81.0 -42.54 20.99 Favored 'General case' 0 C--N 1.373 1.59 0 C-N-CA 126.452 1.901 . . . . 3.04 111.711 -179.014 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -80.23 -21.21 43.09 Favored 'General case' 0 C--N 1.369 1.42 0 C-N-CA 126.78 2.032 . . . . 1.8600000000000001 112.065 -178.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 44.7 t-80 -80.85 -28.01 36.24 Favored 'General case' 0 C--N 1.367 1.367 0 C-N-CA 127.935 2.494 . . . . 2.0099999999999998 111.636 175.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -74.68 -30.44 61.58 Favored 'General case' 0 C--N 1.37 1.457 0 C-N-CA 128.258 2.623 . . . . 1.1899999999999999 112.321 172.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -80.55 -27.52 37.53 Favored 'General case' 0 C--N 1.365 1.267 0 C-N-CA 127.871 2.468 . . . . 1.0700000000000001 113.064 176.116 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 70.7 m -85.14 -26.01 27.11 Favored 'General case' 0 C--N 1.361 1.071 0 C-N-CA 126.235 1.814 . . . . 1.03 113.208 174.166 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -75.37 -39.33 59.35 Favored 'General case' 0 C--N 1.362 1.136 0 C-N-CA 127.699 2.4 . . . . 2.3500000000000001 111.98 176.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.6 pt -103.06 -20.11 5.83 Favored 'Isoleucine or valine' 0 C--N 1.365 1.268 0 C-N-CA 123.666 0.787 . . . . 1.0900000000000001 112.339 -173.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 8.2 tpp180 84.66 68.5 0.01 OUTLIER 'General case' 0 C--N 1.371 1.542 0 C-N-CA 129.136 2.975 . . . . 3.6099999999999999 113.82 174.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 84.1 mt -138.16 -171.47 3.04 Favored 'General case' 0 C--N 1.36 1.028 0 N-CA-C 108.56 -0.904 . . . . 1.1799999999999999 108.56 173.017 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 69.5 p -95.57 146.5 31.42 Favored Pre-proline 0 C--N 1.369 1.452 0 C-N-CA 127.58 2.352 . . . . 1.4099999999999999 108.72 177.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_exo -59.01 -21.16 57.22 Favored 'Trans proline' 0 C--N 1.364 1.377 1 C-N-CA 126.476 4.784 . . . . 1.0600000000000001 117.158 171.43 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.8 t -86.55 -31.02 21.47 Favored 'General case' 0 C--N 1.365 1.276 0 C-N-CA 126.407 1.883 . . . . 1.1299999999999999 111.094 -176.564 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -84.47 -31.13 24.71 Favored 'General case' 0 C--N 1.369 1.436 0 CA-C-N 119.63 1.104 . . . . 1.04 112.906 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.6 p -68.62 -38.41 79.0 Favored 'Isoleucine or valine' 0 C--N 1.379 1.867 0 C-N-CA 124.653 1.181 . . . . 1.0900000000000001 112.181 169.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.3 mmmt -55.92 -46.72 78.37 Favored 'General case' 0 C--N 1.371 1.525 0 N-CA-C 116.5 2.037 . . . . 1.74 116.5 170.376 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.252 3.2 mt -85.69 -9.05 11.26 Favored 'Isoleucine or valine' 0 C--N 1.371 1.507 0 N-CA-C 115.264 1.579 . . . . 1.3200000000000001 115.264 178.572 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 30.1 t90 -74.85 -41.28 60.15 Favored 'General case' 0 C--N 1.378 1.843 0 CA-C-N 120.134 1.333 . . . . 0.34000000000000002 110.691 169.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -85.23 -17.24 37.64 Favored 'General case' 0 C--N 1.366 1.3 0 C-N-CA 126.272 1.829 . . . . 0.46000000000000002 114.316 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -85.08 -25.83 27.34 Favored 'General case' 0 C--N 1.364 1.209 0 C-N-CA 125.388 1.475 . . . . 1.3400000000000001 112.102 177.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 48.4 m-20 -87.24 -41.3 13.81 Favored 'General case' 0 C--N 1.368 1.411 0 C-N-CA 125.647 1.579 . . . . 0.85999999999999999 113.674 177.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -66.65 -27.96 68.09 Favored 'General case' 0 C--N 1.363 1.188 0 N-CA-C 118.116 2.635 . . . . 2.3900000000000001 118.116 -170.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 5.7 ptm180 -85.71 61.2 6.7 Favored 'General case' 0 C--N 1.361 1.091 0 C-N-CA 128.027 2.531 . . . . 3.9100000000000001 112.109 -176.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . 2.465 0.0 OUTLIER -176.33 -51.02 0.01 OUTLIER 'General case' 0 C--N 1.372 1.561 0 O-C-N 120.901 -1.125 . . . . 6.3799999999999999 113.58 157.534 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.36 65.93 0.97 Allowed 'General case' 0 C--N 1.359 1.011 0 O-C-N 118.993 -2.317 . . . . 5.9000000000000004 107.15 -176.446 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . 0.285 2.9 p -43.18 95.08 0.01 OUTLIER 'General case' 0 N--CA 1.438 -1.043 1 C-N-CA 138.133 6.573 . . . . 4.0999999999999996 117.897 -151.38 . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 51.6 mttp -90.5 33.22 0.91 Allowed 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 131.692 3.997 . . . . 8.1699999999999999 117.206 -164.072 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 6.1 ptp180 -99.73 159.09 15.31 Favored 'General case' 0 C--N 1.366 1.318 0 CA-C-N 120.744 1.611 . . . . 11.25 110.514 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -101.02 4.05 42.04 Favored 'General case' 0 C--N 1.362 1.147 0 C-N-CA 126.331 1.852 . . . . 9.0999999999999996 112.384 179.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -102.58 45.32 0.97 Allowed 'General case' 0 C--N 1.365 1.266 0 C-N-CA 126.988 2.115 . . . . 9.6899999999999995 111.527 -178.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 8.9 p-10 -118.43 47.68 1.57 Allowed 'General case' 0 CA--C 1.496 -1.113 0 C-N-CA 129.968 3.307 . . . . 12.300000000000001 111.604 -175.127 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -60.07 127.72 33.25 Favored 'General case' 0 C--N 1.366 1.299 0 C-N-CA 126.57 1.948 . . . . 12.73 113.466 145.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.66 150.44 25.15 Favored 'General case' 0 C--N 1.347 0.46 1 C-N-CA 133.874 4.87 . . . . 16.57 112.735 -6.333 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 87.79 61.42 1.52 Allowed Glycine 0 C--N 1.365 2.154 0 C-N-CA 126.859 2.171 . . . . 15.41 113.793 179.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -136.74 116.5 13.07 Favored 'General case' 0 N--CA 1.423 -1.788 0 C-N-CA 127.857 2.463 . . . . 14.050000000000001 105.334 177.189 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -103.0 61.46 0.79 Allowed 'General case' 0 N--CA 1.438 -1.029 0 C-N-CA 131.379 3.871 . . . . 14.869999999999999 110.988 -171.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 115.53 -97.58 0.8 Allowed Glycine 0 C--N 1.359 1.856 0 C-N-CA 125.773 1.654 . . . . 15.93 109.044 176.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 64.2 t-80 -151.08 94.63 3.48 Favored Pre-proline 0 C--N 1.358 0.944 0 N-CA-C 105.404 -2.073 . . . . 18.370000000000001 105.404 179.047 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo . . . . . 0 C--O 1.263 1.749 0 C-N-CA 123.602 2.868 . . . . 17.68 111.427 173.771 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.281 0 CA-C-O 120.528 0.204 . . . . 17.23 111.379 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.4 p -160.12 -138.15 0.05 OUTLIER 'General case' 0 C--N 1.362 1.136 0 N-CA-C 105.447 -2.057 . . . . 16.920000000000002 105.447 179.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -145.17 113.0 6.36 Favored 'General case' 0 C--N 1.359 0.985 0 N-CA-C 102.52 -3.141 . . . . 17.010000000000002 102.52 177.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.95 -115.14 0.66 Allowed Glycine 0 C--N 1.358 1.77 0 N-CA-C 109.738 -1.345 . . . . 15.789999999999999 109.738 -171.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . 0.318 22.6 mt -97.07 -48.24 0.23 Allowed Pre-proline 0 C--N 1.369 1.454 0 CA-C-O 115.679 -2.105 . . . . 16.199999999999999 114.073 -177.263 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -79.62 127.18 7.07 Favored 'Trans proline' 0 C--N 1.367 1.536 0 CA-C-N 125.784 3.101 . . . . 14.32 110.721 -174.394 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 6.1 p-10 -93.66 125.59 38.36 Favored 'General case' 0 C--N 1.362 1.147 0 C-N-CA 126.462 1.905 . . . . 15.539999999999999 112.836 -166.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -164.58 -48.34 0.03 OUTLIER 'General case' 0 C--N 1.356 0.88 0 N-CA-C 105.308 -2.108 . . . . 17.260000000000002 105.308 171.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 52.7 pttt -149.92 36.58 0.7 Allowed 'General case' 0 C--N 1.36 1.06 0 C-N-CA 124.321 1.048 . . . . 14.380000000000001 108.683 -172.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.8 ppt_? -103.58 130.69 51.04 Favored 'General case' 0 C--N 1.366 1.31 0 C-N-CA 125.135 1.374 . . . . 13.85 109.52 178.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 41.5 pttt -172.18 146.48 1.9 Allowed 'General case' 0 C--N 1.356 0.873 0 N-CA-C 105.926 -1.879 . . . . 13.210000000000001 105.926 -173.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.42 -60.42 2.24 Favored 'General case' 0 C--N 1.368 1.396 0 C-N-CA 129.31 3.044 . . . . 10.609999999999999 113.579 178.273 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 17.6 mmm180 -105.13 160.04 15.38 Favored 'General case' 0 C--N 1.364 1.234 0 C-N-CA 126.821 2.048 . . . . 8.1999999999999993 107.943 168.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.1 m -104.32 146.65 11.43 Favored 'Isoleucine or valine' 0 C--N 1.358 0.938 0 C-N-CA 124.834 1.254 . . . . 4.5700000000000003 111.962 -157.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -134.49 85.82 2.22 Favored 'General case' 0 C--N 1.361 1.105 0 N-CA-C 106.959 -1.497 . . . . 5.2400000000000002 106.959 172.054 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.417 ' HB3' ' HB2' ' A' ' 20' ' ' GLN . 20.2 m-85 -105.4 151.36 24.31 Favored 'General case' 0 C--N 1.363 1.17 0 C-N-CA 126.983 2.113 . . . . 1.6399999999999999 111.297 -175.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 13.8 m -103.19 -172.18 2.07 Favored 'General case' 0 C--N 1.372 1.55 0 C-N-CA 127.237 2.215 . . . . 1.3100000000000001 109.653 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.8 pttm -75.57 -6.7 51.61 Favored 'General case' 0 C--N 1.369 1.451 0 N-CA-C 117.218 2.303 . . . . 3.73 117.218 -163.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.6 -44.05 13.87 Favored 'General case' 0 C--N 1.362 1.145 0 C-N-CA 125.99 1.716 . . . . 1.1299999999999999 111.868 167.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.417 ' HB2' ' HB3' ' A' ' 16' ' ' PHE . 46.5 mm-40 -78.56 -38.21 40.86 Favored 'General case' 0 C--N 1.368 1.392 0 C-N-CA 127.723 2.409 . . . . 0.85999999999999999 111.508 -171.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 70.8 p -74.93 -29.62 61.0 Favored 'General case' 0 C--N 1.371 1.524 0 C-N-CA 127.185 2.194 . . . . 1.1200000000000001 112.199 178.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 52.6 t80 -65.88 -51.12 61.45 Favored 'General case' 0 C--N 1.37 1.483 0 C-N-CA 128.265 2.626 . . . . 1.22 112.251 176.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -73.24 -34.93 66.13 Favored 'General case' 0 C--N 1.36 1.061 0 N-CA-C 115.408 1.633 . . . . 1.3100000000000001 115.408 -177.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 93.8 mt -70.5 -41.64 72.37 Favored 'General case' 0 C--N 1.363 1.195 0 C-N-CA 126.028 1.731 . . . . 1.0900000000000001 114.923 177.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -71.19 -31.02 67.13 Favored 'General case' 0 C--N 1.362 1.148 0 C-N-CA 126.032 1.733 . . . . 1.6599999999999999 115.259 173.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.1 ptm180 -80.07 -24.7 40.45 Favored 'General case' 0 C--N 1.37 1.488 0 N-CA-C 115.128 1.529 . . . . 2.54 115.128 -179.156 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.275 36.3 mmm-85 -75.6 -31.71 60.03 Favored 'General case' 0 C--N 1.371 1.524 0 C-N-CA 123.6 0.76 . . . . 2.54 112.07 163.706 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -68.84 -35.14 76.59 Favored 'General case' 0 C--N 1.375 1.682 0 C-N-CA 127.04 2.136 . . . . 0.82999999999999996 113.736 -173.166 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 31.8 mmt-85 -83.68 -14.94 50.59 Favored 'General case' 0 C--N 1.363 1.192 0 N-CA-C 113.854 1.057 . . . . 4.5700000000000003 113.854 179.143 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 64.2 tp60 -92.61 -27.2 17.48 Favored 'General case' 0 C--N 1.367 1.342 0 C-N-CA 127.686 2.394 . . . . 2.5299999999999998 112.292 174.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -171.1 151.65 3.28 Favored 'General case' 0 C--N 1.367 1.328 0 N-CA-C 105.425 -2.065 . . . . 2.04 105.425 -170.113 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.7 mmt85 -105.09 -33.02 8.43 Favored 'General case' 0 C--N 1.359 0.983 0 O-C-N 120.903 -1.123 . . . . 4.25 108.938 -177.261 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 37.7 p90 -114.34 141.28 47.82 Favored 'General case' 0 C--N 1.356 0.869 0 C-N-CA 126.765 2.026 . . . . 5.9000000000000004 107.912 179.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -151.25 121.64 7.33 Favored 'General case' 0 CA--C 1.499 -1.017 0 N-CA-C 102.735 -3.061 . . . . 1.28 102.735 -173.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 28.3 p -89.43 168.37 12.26 Favored 'General case' 0 C--N 1.366 1.304 0 C-N-CA 127.393 2.277 . . . . 2.04 109.771 -170.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.28 -35.54 15.58 Favored Pre-proline 0 C--N 1.366 1.316 0 N-CA-C 120.255 3.428 . . . . 1.23 120.255 -172.243 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -67.82 -29.3 35.4 Favored 'Trans proline' 0 C--N 1.36 1.157 0 C-N-CA 124.238 3.292 . . . . 1.3899999999999999 115.171 173.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -102.03 -22.09 14.34 Favored 'General case' 0 C--N 1.362 1.137 0 C-N-CA 126.771 2.028 . . . . 1.72 114.587 177.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 36.0 ttm180 -79.19 -42.44 26.06 Favored 'General case' 0 C--N 1.373 1.603 0 C-N-CA 127.139 2.176 . . . . 3.04 111.446 -178.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -80.32 -21.34 42.65 Favored 'General case' 0 C--N 1.368 1.403 0 C-N-CA 127.012 2.125 . . . . 1.8600000000000001 112.188 -178.025 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 47.5 t-80 -81.05 -27.8 35.61 Favored 'General case' 0 C--N 1.366 1.303 0 C-N-CA 128.076 2.55 . . . . 2.0099999999999998 111.536 176.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -74.55 -33.14 62.66 Favored 'General case' 0 C--N 1.367 1.358 0 C-N-CA 128.306 2.642 . . . . 1.1899999999999999 112.408 172.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -80.01 -26.78 39.7 Favored 'General case' 0 C--N 1.365 1.268 0 C-N-CA 128.052 2.541 . . . . 1.0700000000000001 113.226 178.014 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 69.5 m -85.13 -26.91 26.57 Favored 'General case' 0 C--N 1.361 1.067 0 C-N-CA 126.011 1.724 . . . . 1.03 112.956 174.011 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 48.8 tp -74.38 -38.4 63.16 Favored 'General case' 0 C--N 1.363 1.169 0 C-N-CA 127.6 2.36 . . . . 2.3500000000000001 112.702 176.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.0 pt -105.13 -18.11 7.11 Favored 'Isoleucine or valine' 0 C--N 1.366 1.288 0 C-N-CA 123.886 0.874 . . . . 1.0900000000000001 112.445 -174.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 24.0 tpt180 85.0 67.87 0.01 OUTLIER 'General case' 0 C--N 1.37 1.482 0 C-N-CA 129.008 2.923 . . . . 3.6099999999999999 114.167 173.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 84.1 mt -137.86 -172.31 3.22 Favored 'General case' 0 C--N 1.36 1.033 0 C-N-CA 123.817 0.847 . . . . 1.1799999999999999 108.82 173.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.446 HG23 ' H ' ' A' ' 51' ' ' THR . 71.4 p -94.72 146.87 32.2 Favored Pre-proline 0 C--N 1.368 1.403 0 C-N-CA 127.164 2.186 . . . . 1.4099999999999999 109.219 176.581 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_exo -57.92 -23.54 60.17 Favored 'Trans proline' 0 C--N 1.364 1.358 1 C-N-CA 126.829 5.019 . . . . 1.0600000000000001 117.332 170.431 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.446 ' H ' HG23 ' A' ' 49' ' ' THR . 14.2 t -85.63 -33.14 21.7 Favored 'General case' 0 C--N 1.364 1.235 0 C-N-CA 126.58 1.952 . . . . 1.1299999999999999 110.837 -175.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -81.81 -31.33 31.79 Favored 'General case' 0 C--N 1.369 1.421 0 CA-C-N 119.566 1.075 . . . . 1.04 112.781 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.2 p -69.25 -38.68 78.08 Favored 'Isoleucine or valine' 0 C--N 1.381 1.941 0 C-N-CA 124.97 1.308 . . . . 1.0900000000000001 112.192 171.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.0 tppt? -57.32 -44.08 83.9 Favored 'General case' 0 C--N 1.37 1.47 0 C-N-CA 127.993 2.517 . . . . 1.74 114.567 171.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.279 1.9 mt -86.46 -8.55 11.1 Favored 'Isoleucine or valine' 0 C--N 1.369 1.437 0 N-CA-C 115.732 1.753 . . . . 1.3200000000000001 115.732 177.68 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 38.4 t90 -74.5 -41.68 60.27 Favored 'General case' 0 C--N 1.378 1.823 0 CA-C-N 120.0 1.273 . . . . 0.34000000000000002 110.928 168.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -85.19 -10.0 57.15 Favored 'General case' 0 C--N 1.365 1.276 0 C-N-CA 126.731 2.012 . . . . 0.46000000000000002 113.69 178.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -77.66 -41.38 38.47 Favored 'General case' 0 C--N 1.363 1.162 0 C-N-CA 125.899 1.679 . . . . 1.3400000000000001 112.194 171.075 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 -91.21 -22.12 20.78 Favored 'General case' 0 C--N 1.366 1.29 0 C-N-CA 125.48 1.512 . . . . 0.85999999999999999 114.106 -171.482 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 6.9 m80 -78.58 -33.88 47.29 Favored 'General case' 0 C--N 1.364 1.226 0 N-CA-C 115.557 1.688 . . . . 2.3900000000000001 115.557 -177.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -86.62 50.47 2.01 Favored 'General case' 0 C--N 1.362 1.138 0 C-N-CA 126.412 1.885 . . . . 3.9100000000000001 114.608 177.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.401 ' CE1' ' HA ' ' A' ' 64' ' ' THR . 53.5 p90 -64.49 -17.94 64.33 Favored 'General case' 0 C--N 1.377 1.797 0 N-CA-C 120.024 3.342 . . . . 6.3799999999999999 120.024 -178.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . 0.372 0.0 OUTLIER 101.42 59.9 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 130.239 3.415 . . . . 5.9000000000000004 106.193 -158.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.401 ' HA ' ' CE1' ' A' ' 62' ' ' TYR . 0.2 OUTLIER -96.54 -24.79 15.89 Favored 'General case' 0 C--N 1.361 1.078 0 O-C-N 120.216 -1.552 . . . . 4.0999999999999996 113.978 -147.343 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 49.9 mmtm -89.94 66.26 6.84 Favored 'General case' 0 C--N 1.37 1.463 0 C-N-CA 127.577 2.351 . . . . 8.1699999999999999 110.638 -176.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 5.7 ppt_? -150.74 -35.87 0.15 Allowed 'General case' 0 N--CA 1.442 -0.84 0 C-N-CA 127.607 2.363 . . . . 11.25 105.218 173.492 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -100.9 -27.15 13.47 Favored 'General case' 0 C--N 1.366 1.319 0 C-N-CA 126.977 2.111 . . . . 9.0999999999999996 110.888 176.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -105.02 39.45 1.71 Allowed 'General case' 0 C--N 1.371 1.52 0 C-N-CA 127.046 2.138 . . . . 9.6899999999999995 110.393 170.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -148.08 65.47 1.09 Allowed 'General case' 0 N--CA 1.44 -0.954 0 N-CA-C 104.004 -2.591 . . . . 12.300000000000001 104.004 176.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . 0.351 1.5 pp20? -49.69 -69.84 0.1 Allowed 'General case' 0 C--N 1.365 1.242 0 C-N-CA 129.178 2.991 . . . . 12.73 118.682 -173.045 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 37.0 mtmm -93.54 -175.96 3.94 Favored 'General case' 0 C--N 1.371 1.522 0 C-N-CA 127.328 2.251 . . . . 16.57 107.605 160.178 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -88.22 40.76 3.06 Favored Glycine 0 C--N 1.359 1.844 0 C-N-CA 130.348 3.832 . . . . 15.41 112.302 -169.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 15.1 t80 -71.01 -52.57 18.83 Favored 'General case' 0 C--N 1.351 0.639 1 C-N-CA 132.814 4.445 . . . . 14.050000000000001 114.757 -174.174 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -124.94 45.54 2.53 Favored 'General case' 0 N--CA 1.442 -0.849 0 C-N-CA 127.747 2.419 . . . . 14.869999999999999 108.542 -176.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 129.52 -109.65 0.98 Allowed Glycine 0 C--N 1.359 1.835 0 N-CA-C 108.081 -2.007 . . . . 15.93 108.081 177.003 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 56.6 t-80 -156.74 150.81 19.65 Favored Pre-proline 0 C--N 1.358 0.957 0 N-CA-C 104.956 -2.238 . . . . 18.370000000000001 104.956 -177.006 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_exo . . . . . 0 C--O 1.26 1.624 0 C-N-CA 123.717 2.945 . . . . 17.68 110.527 173.665 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.425 0 N-CA-C 112.01 0.374 . . . . 17.23 112.01 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.8 m -136.98 -47.72 0.6 Allowed 'General case' 0 C--N 1.361 1.108 0 N-CA-C 105.734 -1.95 . . . . 16.920000000000002 105.734 176.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -139.24 93.54 2.7 Favored 'General case' 0 C--N 1.358 0.963 0 N-CA-C 103.057 -2.942 . . . . 17.010000000000002 103.057 172.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.96 -136.03 2.63 Favored Glycine 0 C--N 1.354 1.577 0 N-CA-C 107.652 -2.179 . . . . 15.789999999999999 107.652 -174.096 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 22.6 mt -122.93 161.21 45.68 Favored Pre-proline 0 C--N 1.366 1.286 0 N-CA-C 106.261 -1.755 . . . . 16.199999999999999 106.261 179.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -81.46 120.88 3.68 Favored 'Trans proline' 0 C--N 1.367 1.549 0 CA-C-N 124.757 2.735 . . . . 14.32 111.0 -178.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 7.1 p-10 -113.74 24.64 11.93 Favored 'General case' 0 C--N 1.362 1.127 0 C-N-CA 125.559 1.544 . . . . 15.539999999999999 112.7 -170.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -166.25 0.69 0.03 OUTLIER 'General case' 0 C--N 1.359 0.987 0 C-N-CA 125.383 1.473 . . . . 17.260000000000002 107.61 171.129 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 60.2 mttp 82.9 2.78 1.07 Allowed 'General case' 0 C--N 1.372 1.552 0 C-N-CA 129.555 3.142 . . . . 14.380000000000001 113.662 176.239 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 54.2 ttp85 -131.95 17.64 4.63 Favored 'General case' 0 C--N 1.359 1.011 0 C-N-CA 124.132 0.973 . . . . 13.85 110.097 -160.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.0 pttt -161.35 147.02 14.04 Favored 'General case' 0 C--N 1.359 0.993 0 N-CA-C 107.015 -1.476 . . . . 13.210000000000001 107.015 173.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.416 ' C ' ' H ' ' A' ' 14' ' ' VAL . 1.5 tpm_? -101.75 -34.83 9.29 Favored 'General case' 0 N--CA 1.414 -2.251 1 C-N-CA 132.678 4.391 . . . . 10.609999999999999 109.881 -3.071 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . 2.37 0.0 OUTLIER -44.89 -11.38 0.01 OUTLIER 'General case' 0 C--N 1.376 1.758 2 C-N-CA 135.864 5.666 . . . . 8.1999999999999993 122.186 -174.568 . . . . . . . . 4 3 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.416 ' H ' ' C ' ' A' ' 12' ' ' ARG . 4.2 m -122.44 128.48 75.42 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.234 1 C-N-CA 131.941 4.096 . . . . 4.5700000000000003 108.582 -173.014 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.0 mt -138.72 125.36 20.76 Favored 'General case' 0 N--CA 1.447 -0.605 0 N-CA-C 104.529 -2.397 . . . . 5.2400000000000002 104.529 -179.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 12.1 m-30 -88.17 149.08 24.08 Favored 'General case' 0 C--N 1.367 1.326 0 C-N-CA 127.966 2.507 . . . . 1.6399999999999999 110.824 -174.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 26.6 m -106.19 -174.93 2.65 Favored 'General case' 0 C--N 1.366 1.316 0 C-N-CA 126.988 2.115 . . . . 1.3100000000000001 108.78 179.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 69.4 mttt -85.02 12.25 7.99 Favored 'General case' 0 C--N 1.372 1.563 0 C-N-CA 126.869 2.068 . . . . 3.73 114.445 -172.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.41 -48.81 8.65 Favored 'General case' 0 C--N 1.361 1.099 0 C-N-CA 126.774 2.029 . . . . 1.1299999999999999 111.664 157.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 53.4 mm-40 -73.45 -45.66 52.98 Favored 'General case' 0 C--N 1.37 1.475 0 C-N-CA 128.802 2.841 . . . . 0.85999999999999999 112.903 -173.256 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 58.5 p -73.31 -28.14 61.92 Favored 'General case' 0 C--N 1.367 1.359 0 C-N-CA 127.489 2.315 . . . . 1.1200000000000001 112.13 179.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 34.1 t80 -66.33 -50.21 64.38 Favored 'General case' 0 C--N 1.37 1.473 0 C-N-CA 127.563 2.345 . . . . 1.22 112.522 176.192 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -74.2 -34.19 63.64 Favored 'General case' 0 C--N 1.363 1.178 0 N-CA-C 115.469 1.655 . . . . 1.3100000000000001 115.469 -177.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 92.4 mt -70.17 -43.56 70.59 Favored 'General case' 0 C--N 1.364 1.209 0 C-N-CA 126.034 1.733 . . . . 1.0900000000000001 114.726 177.434 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -69.31 -33.98 73.98 Favored 'General case' 0 C--N 1.363 1.179 0 C-N-CA 126.506 1.922 . . . . 1.6599999999999999 114.421 174.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.5 ptm180 -80.31 -27.38 38.46 Favored 'General case' 0 C--N 1.373 1.606 0 N-CA-C 115.837 1.791 . . . . 2.54 115.837 -177.277 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.284 36.6 mmm-85 -74.67 -31.51 61.94 Favored 'General case' 0 C--N 1.371 1.53 0 C-N-CA 123.929 0.892 . . . . 2.54 111.747 167.615 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -68.12 -39.98 82.62 Favored 'General case' 0 C--N 1.378 1.808 0 C-N-CA 126.865 2.066 . . . . 0.82999999999999996 113.671 -175.421 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.8 mmm-85 -71.9 -20.86 61.72 Favored 'General case' 0 C--N 1.366 1.306 0 C-N-CA 126.079 1.752 . . . . 4.5700000000000003 115.26 178.024 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 85.4 mm-40 -98.07 -33.43 11.17 Favored 'General case' 0 C--N 1.359 1.022 0 C-N-CA 126.018 1.727 . . . . 2.5299999999999998 112.917 177.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -162.53 150.39 14.07 Favored 'General case' 0 C--N 1.368 1.396 0 CA-C-N 120.345 1.43 . . . . 2.04 108.636 -172.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 72.2 mmt-85 -105.36 -34.42 7.85 Favored 'General case' 0 C--N 1.36 1.035 0 C-N-CA 126.187 1.795 . . . . 4.25 112.356 -175.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -86.3 -16.91 36.04 Favored 'General case' 0 C--N 1.359 1.02 0 C-N-CA 129.18 2.992 . . . . 5.9000000000000004 116.005 -150.37 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . 0.359 0.0 OUTLIER -33.67 109.1 0.07 Allowed 'General case' 0 N--CA 1.496 1.849 1 C-N-CA 133.537 4.735 . . . . 1.28 115.614 -165.839 . . . . . . . . 4 3 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 30.7 p -100.32 170.85 8.15 Favored 'General case' 0 C--N 1.361 1.108 0 C-N-CA 128.515 2.726 . . . . 2.04 108.426 -169.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -42.6 -36.9 1.62 Allowed Pre-proline 0 C--N 1.367 1.343 0 N-CA-C 121.496 3.887 . . . . 1.23 121.496 -170.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_exo -66.9 -31.93 37.06 Favored 'Trans proline' 0 C--N 1.359 1.082 0 C-N-CA 124.256 3.304 . . . . 1.3899999999999999 115.122 174.061 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -103.72 -22.82 13.5 Favored 'General case' 0 C--N 1.36 1.056 0 C-N-CA 126.937 2.095 . . . . 1.72 114.706 178.174 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 44.4 ttp180 -81.88 -38.0 26.02 Favored 'General case' 0 C--N 1.373 1.609 0 C-N-CA 126.681 1.992 . . . . 3.04 111.927 -178.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -81.59 -20.76 39.14 Favored 'General case' 0 C--N 1.37 1.466 0 C-N-CA 126.087 1.755 . . . . 1.8600000000000001 112.172 179.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 48.0 t-80 -79.24 -28.28 42.45 Favored 'General case' 0 C--N 1.367 1.351 0 C-N-CA 128.213 2.605 . . . . 2.0099999999999998 111.552 174.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -72.57 -36.13 68.11 Favored 'General case' 0 C--N 1.368 1.401 0 C-N-CA 128.719 2.807 . . . . 1.1899999999999999 112.313 173.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.59 -28.88 41.05 Favored 'General case' 0 C--N 1.363 1.189 0 C-N-CA 128.226 2.611 . . . . 1.0700000000000001 113.504 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 67.7 m -85.19 -26.71 26.61 Favored 'General case' 0 C--N 1.362 1.125 0 C-N-CA 126.179 1.791 . . . . 1.03 113.137 176.081 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -74.99 -39.13 61.41 Favored 'General case' 0 C--N 1.363 1.163 0 C-N-CA 127.357 2.263 . . . . 2.3500000000000001 112.097 175.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.9 pt -101.06 -19.61 5.87 Favored 'Isoleucine or valine' 0 C--N 1.366 1.29 0 C-N-CA 123.832 0.853 . . . . 1.0900000000000001 113.236 -174.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 11.0 tpp180 83.89 62.95 0.01 OUTLIER 'General case' 0 C--N 1.369 1.455 0 C-N-CA 128.945 2.898 . . . . 3.6099999999999999 113.775 174.095 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 70.5 mt -137.32 -173.81 3.57 Favored 'General case' 0 C--N 1.36 1.057 0 N-CA-C 107.833 -1.173 . . . . 1.1799999999999999 107.833 173.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 57.8 p -93.2 145.98 31.06 Favored Pre-proline 0 C--N 1.368 1.381 0 C-N-CA 127.327 2.251 . . . . 1.4099999999999999 109.176 -177.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_exo -58.39 -22.66 59.58 Favored 'Trans proline' 0 C--N 1.363 1.328 1 C-N-CA 126.626 4.884 . . . . 1.0600000000000001 117.237 170.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.9 t -87.9 -29.3 20.97 Favored 'General case' 0 C--N 1.364 1.239 0 C-N-CA 126.34 1.856 . . . . 1.1299999999999999 111.165 -176.047 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -83.29 -34.09 25.81 Favored 'General case' 0 C--N 1.37 1.486 0 CA-C-N 119.488 1.04 . . . . 1.04 112.516 179.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.5 p -67.48 -39.8 83.23 Favored 'Isoleucine or valine' 0 C--N 1.379 1.859 0 C-N-CA 125.302 1.441 . . . . 1.0900000000000001 112.584 169.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.07 -49.14 66.99 Favored 'General case' 0 C--N 1.371 1.534 0 C-N-CA 127.167 2.187 . . . . 1.74 115.747 170.369 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.277 4.8 mt -85.68 -7.41 10.91 Favored 'Isoleucine or valine' 0 C--N 1.367 1.343 0 N-CA-C 115.217 1.562 . . . . 1.3200000000000001 115.217 179.125 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 34.1 t90 -74.66 -42.17 58.98 Favored 'General case' 0 C--N 1.379 1.857 0 C-N-CA 125.018 1.327 . . . . 0.34000000000000002 111.412 169.384 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -84.28 -14.89 48.58 Favored 'General case' 0 C--N 1.367 1.363 0 C-N-CA 126.122 1.769 . . . . 0.46000000000000002 113.319 179.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -75.59 -40.52 56.45 Favored 'General case' 0 C--N 1.365 1.263 0 C-N-CA 127.418 2.287 . . . . 1.3400000000000001 112.954 174.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 70.3 m-20 -89.76 -26.73 20.46 Favored 'General case' 0 C--N 1.366 1.314 0 C-N-CA 125.872 1.669 . . . . 0.85999999999999999 113.48 -175.202 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 8.5 m80 -77.39 -16.74 58.69 Favored 'General case' 0 C--N 1.364 1.203 0 N-CA-C 116.959 2.207 . . . . 2.3900000000000001 116.959 -178.269 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -85.39 45.87 1.23 Allowed 'General case' 0 C--N 1.366 1.301 0 C-N-CA 126.786 2.034 . . . . 3.9100000000000001 115.131 -169.547 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.414 ' HB3' ' H ' ' A' ' 63' ' ' LYS . 1.3 m-85 -103.6 -114.55 0.22 Allowed 'General case' 0 C--N 1.375 1.68 0 O-C-N 120.528 -1.358 . . . . 6.3799999999999999 107.443 176.668 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.414 ' H ' ' HB3' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -151.02 56.8 0.9 Allowed 'General case' 0 CA--C 1.485 -1.537 0 C-N-CA 129.839 3.255 . . . . 5.9000000000000004 102.511 174.777 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -106.31 105.64 15.77 Favored 'General case' 0 N--CA 1.411 -2.424 1 C-N-CA 132.315 4.246 . . . . 4.0999999999999996 101.352 171.003 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -87.17 56.47 4.0 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 129.323 3.049 . . . . 8.1699999999999999 112.736 173.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 78.5 ttt-85 -103.82 -52.86 2.88 Favored 'General case' 0 C--N 1.361 1.108 0 C-N-CA 126.489 1.916 . . . . 11.25 107.789 175.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -97.2 -12.64 22.77 Favored 'General case' 0 C--N 1.364 1.226 0 C-N-CA 125.592 1.557 . . . . 9.0999999999999996 112.337 -177.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -103.2 62.88 0.8 Allowed 'General case' 0 C--N 1.365 1.259 0 CA-C-O 124.849 2.261 . . . . 9.6899999999999995 109.219 166.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -159.38 66.71 0.4 Allowed 'General case' 0 N--CA 1.436 -1.153 0 CA-C-N 109.7 -3.409 . . . . 12.300000000000001 106.47 -178.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . 0.263 24.4 mt-10 -87.05 90.03 8.21 Favored 'General case' 0 C--N 1.37 1.497 0 C-N-CA 124.807 1.243 . . . . 12.73 111.64 160.598 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.2 mtmp? -166.4 13.08 0.03 OUTLIER 'General case' 0 CA--C 1.504 -0.82 0 C-N-CA 128.028 2.531 . . . . 16.57 111.396 -171.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 142.36 -25.84 2.31 Favored Glycine 0 CA--C 1.505 -0.562 0 C-N-CA 125.565 1.555 . . . . 15.41 115.106 174.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -65.23 -16.65 63.77 Favored 'General case' 0 C--N 1.363 1.171 0 C-N-CA 129.613 3.165 . . . . 14.050000000000001 118.024 -170.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -81.53 53.64 2.15 Favored 'General case' 0 C--N 1.356 0.881 0 C-N-CA 129.718 3.207 . . . . 14.869999999999999 113.942 -174.206 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 179.09 -130.88 1.6 Allowed Glycine 0 CA--C 1.493 -1.282 1 N-CA-C 102.957 -4.057 . . . . 15.93 102.957 -179.567 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -143.48 84.35 10.14 Favored Pre-proline 0 C--N 1.355 0.811 0 N-CA-C 105.802 -1.925 . . . . 18.370000000000001 105.802 172.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo . . . . . 0 C--O 1.261 1.666 0 C-N-CA 123.833 3.022 . . . . 17.68 109.466 -176.202 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.035 0 CA-C-O 120.217 0.055 . . . . 17.23 110.887 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.3 p -104.97 -38.46 6.6 Favored 'General case' 0 C--N 1.366 1.29 0 C-N-CA 126.334 1.853 . . . . 16.920000000000002 109.211 -176.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 52.9 m-20 -132.12 62.47 1.64 Allowed 'General case' 0 C--N 1.361 1.081 0 N-CA-C 104.233 -2.506 . . . . 17.010000000000002 104.233 173.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.96 -141.91 3.29 Favored Glycine 0 C--N 1.358 1.751 0 N-CA-C 110.389 -1.084 . . . . 15.789999999999999 110.389 -172.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.407 ' HB2' ' HE1' ' A' ' 56' ' ' TRP . 10.2 mt -131.96 162.08 58.76 Favored Pre-proline 0 C--N 1.364 1.211 0 N-CA-C 105.796 -1.927 . . . . 16.199999999999999 105.796 -171.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -82.43 143.89 12.56 Favored 'Trans proline' 0 C--N 1.364 1.351 0 CA-C-N 124.786 2.745 . . . . 14.32 113.323 -173.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -138.2 -149.58 0.31 Allowed 'General case' 0 C--N 1.359 1.013 0 N-CA-C 103.021 -2.955 . . . . 15.539999999999999 103.021 167.131 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.422 ' HZ3' HD12 ' A' ' 55' ' ' ILE . 35.8 mmtp -94.34 111.19 22.92 Favored 'General case' 0 C--N 1.363 1.184 0 C-N-CA 125.567 1.547 . . . . 17.260000000000002 109.727 -178.545 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . 0.262 62.3 mttp 80.71 -105.95 0.02 OUTLIER 'General case' 0 C--N 1.367 1.367 0 C-N-CA 129.271 3.028 . . . . 14.380000000000001 111.499 -179.066 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 37.6 ptt180 -156.41 158.24 36.99 Favored 'General case' 0 C--N 1.357 0.895 0 N-CA-C 105.873 -1.899 . . . . 13.85 105.873 178.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -154.68 125.41 7.04 Favored 'General case' 0 C--N 1.358 0.936 0 N-CA-C 107.84 -1.171 . . . . 13.210000000000001 107.84 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . 2.07 12.5 mmm180 -55.47 -34.73 64.8 Favored 'General case' 0 C--N 1.367 1.359 0 C-N-CA 131.42 3.888 . . . . 10.609999999999999 117.755 169.418 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . 1.952 0.6 OUTLIER -42.87 -126.58 0.0 OUTLIER 'General case' 0 C--N 1.364 1.21 2 C-N-CA 133.659 4.784 . . . . 8.1999999999999993 123.335 -159.452 . . . . . . . . 4 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 60.4 t -96.86 16.44 2.58 Favored 'Isoleucine or valine' 0 C--N 1.365 1.263 0 C-N-CA 131.324 3.85 . . . . 4.5700000000000003 111.731 -164.103 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -58.92 150.85 23.19 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 131.031 3.732 . . . . 5.2400000000000002 116.039 -163.341 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -86.51 122.35 30.33 Favored 'General case' 0 C--N 1.353 0.734 0 C-N-CA 128.076 2.55 . . . . 1.6399999999999999 115.325 -132.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 40.0 m -114.99 -172.39 2.12 Favored 'General case' 0 C--N 1.37 1.47 0 C-N-CA 127.414 2.285 . . . . 1.3100000000000001 106.294 175.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.1 pttm -73.36 6.44 2.92 Favored 'General case' 0 C--N 1.367 1.345 0 N-CA-C 118.952 2.945 . . . . 3.73 118.952 -157.461 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.25 -51.97 6.23 Favored 'General case' 0 C--N 1.361 1.081 0 C-N-CA 125.865 1.666 . . . . 1.1299999999999999 111.966 159.072 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -84.47 -39.27 19.12 Favored 'General case' 0 C--N 1.364 1.236 0 C-N-CA 128.276 2.63 . . . . 0.85999999999999999 111.258 -165.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 71.7 p -70.21 -34.81 73.36 Favored 'General case' 0 C--N 1.376 1.756 0 C-N-CA 127.531 2.333 . . . . 1.1200000000000001 111.377 177.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 54.0 t80 -64.2 -51.67 62.61 Favored 'General case' 0 C--N 1.37 1.476 0 C-N-CA 129.461 3.104 . . . . 1.22 112.76 179.053 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -72.81 -34.76 67.07 Favored 'General case' 0 C--N 1.362 1.109 0 N-CA-C 115.19 1.552 . . . . 1.3100000000000001 115.19 -177.432 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 92.2 mt -69.15 -42.32 76.12 Favored 'General case' 0 C--N 1.366 1.309 0 C-N-CA 125.766 1.626 . . . . 1.0900000000000001 115.072 176.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -71.12 -31.7 68.08 Favored 'General case' 0 C--N 1.362 1.128 0 C-N-CA 126.231 1.812 . . . . 1.6599999999999999 115.135 174.165 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.6 ptm180 -79.59 -26.51 41.24 Favored 'General case' 0 C--N 1.369 1.442 0 N-CA-C 115.1 1.519 . . . . 2.54 115.1 -177.421 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.264 40.0 mmm-85 -74.12 -32.01 63.01 Favored 'General case' 0 C--N 1.371 1.536 0 C-N-CA 123.43 0.692 . . . . 2.54 112.18 163.393 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -68.37 -27.22 66.05 Favored 'General case' 0 C--N 1.376 1.735 0 C-N-CA 126.589 1.956 . . . . 0.82999999999999996 114.315 -177.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 36.9 mmt-85 -79.74 -27.73 40.52 Favored 'General case' 0 C--N 1.365 1.259 0 C-N-CA 125.309 1.444 . . . . 4.5700000000000003 113.487 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 65.5 tp60 -93.49 -27.43 16.68 Favored 'General case' 0 N--CA 1.433 -1.298 0 C-N-CA 127.81 2.444 . . . . 2.5299999999999998 112.541 179.103 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -166.19 152.0 8.78 Favored 'General case' 0 C--N 1.367 1.362 0 N-CA-C 107.732 -1.21 . . . . 2.04 107.732 -167.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 24.0 mmt85 -105.07 -35.28 7.68 Favored 'General case' 0 C--N 1.361 1.079 0 C-N-CA 125.556 1.543 . . . . 4.25 110.277 -178.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 -114.35 137.05 52.31 Favored 'General case' 0 C--N 1.358 0.951 0 C-N-CA 126.537 1.935 . . . . 5.9000000000000004 107.69 178.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -145.85 120.68 9.93 Favored 'General case' 0 CA--C 1.496 -1.102 0 N-CA-C 101.644 -3.465 . . . . 1.28 101.644 -176.448 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 24.8 p -84.41 164.46 18.88 Favored 'General case' 0 C--N 1.366 1.321 0 C-N-CA 127.18 2.192 . . . . 2.04 110.523 -168.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.63 -36.06 25.58 Favored Pre-proline 0 C--N 1.364 1.206 0 N-CA-C 119.969 3.322 . . . . 1.23 119.969 -170.187 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -68.54 -35.85 16.43 Favored 'Trans proline' 0 C--N 1.361 1.214 0 C-N-CA 124.46 3.44 . . . . 1.3899999999999999 115.004 173.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -93.65 -18.32 22.29 Favored 'General case' 0 C--N 1.366 1.29 0 C-N-CA 126.28 1.832 . . . . 1.72 113.946 179.203 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 32.2 ttm180 -80.38 -40.03 27.32 Favored 'General case' 0 C--N 1.371 1.53 0 C-N-CA 127.127 2.171 . . . . 3.04 110.664 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.84 -17.23 48.13 Favored 'General case' 0 C--N 1.371 1.542 0 C-N-CA 126.634 1.973 . . . . 1.8600000000000001 112.148 -179.313 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 42.4 t-80 -81.16 -28.99 34.8 Favored 'General case' 0 C--N 1.364 1.208 0 C-N-CA 128.294 2.638 . . . . 2.0099999999999998 111.611 174.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -73.27 -33.89 65.51 Favored 'General case' 0 C--N 1.368 1.404 0 C-N-CA 128.137 2.575 . . . . 1.1899999999999999 112.321 172.186 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.47 -24.31 36.86 Favored 'General case' 0 C--N 1.363 1.176 0 C-N-CA 127.764 2.426 . . . . 1.0700000000000001 113.356 177.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.6 t -85.2 -27.69 25.94 Favored 'General case' 0 C--N 1.359 0.985 0 C-N-CA 126.457 1.903 . . . . 1.03 111.981 174.156 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 45.0 tp -74.97 -37.45 61.92 Favored 'General case' 0 C--N 1.361 1.082 0 C-N-CA 127.501 2.32 . . . . 2.3500000000000001 112.54 176.405 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.9 pt -106.13 -19.18 6.69 Favored 'Isoleucine or valine' 0 C--N 1.367 1.344 0 C-N-CA 123.712 0.805 . . . . 1.0900000000000001 112.442 -174.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 8.9 tpp180 86.88 68.98 0.01 OUTLIER 'General case' 0 C--N 1.372 1.581 0 C-N-CA 129.3 3.04 . . . . 3.6099999999999999 114.236 171.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 73.8 mt -136.49 -164.5 1.58 Allowed 'General case' 0 C--N 1.363 1.164 0 C-N-CA 124.803 1.241 . . . . 1.1799999999999999 109.4 174.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 80.6 p -104.72 146.73 33.2 Favored Pre-proline 0 C--N 1.369 1.415 0 C-N-CA 127.94 2.496 . . . . 1.4099999999999999 108.631 177.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_exo -59.29 -19.73 51.93 Favored 'Trans proline' 0 C--N 1.369 1.605 1 C-N-CA 126.583 4.855 . . . . 1.0600000000000001 117.119 170.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 14.1 t -87.08 -34.7 19.06 Favored 'General case' 0 C--N 1.365 1.259 0 C-N-CA 126.597 1.959 . . . . 1.1299999999999999 111.036 -176.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -79.99 -31.52 39.77 Favored 'General case' 0 C--N 1.372 1.579 0 CA-C-N 119.909 1.231 . . . . 1.04 112.445 179.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.9 p -68.96 -39.45 79.8 Favored 'Isoleucine or valine' 0 C--N 1.38 1.919 0 C-N-CA 124.645 1.178 . . . . 1.0900000000000001 112.546 171.257 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.67 -45.13 73.83 Favored 'General case' 0 C--N 1.37 1.468 0 N-CA-C 116.29 1.959 . . . . 1.74 116.29 169.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.422 HD12 ' HZ3' ' A' ' 8' ' ' LYS 0.254 2.3 mt -87.58 -8.18 10.97 Favored 'Isoleucine or valine' 0 C--N 1.368 1.403 0 N-CA-C 115.319 1.6 . . . . 1.3200000000000001 115.319 178.917 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.407 ' HE1' ' HB2' ' A' ' 5' ' ' LEU . 36.8 t90 -75.78 -41.89 51.73 Favored 'General case' 0 C--N 1.379 1.856 0 CA-C-N 119.86 1.209 . . . . 0.34000000000000002 110.732 169.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -85.24 -9.23 58.0 Favored 'General case' 0 C--N 1.367 1.347 0 C-N-CA 126.735 2.014 . . . . 0.46000000000000002 113.386 178.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -75.46 -41.01 56.71 Favored 'General case' 0 C--N 1.363 1.177 0 C-N-CA 125.839 1.656 . . . . 1.3400000000000001 112.148 168.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -93.21 -19.02 21.84 Favored 'General case' 0 C--N 1.366 1.285 0 C-N-CA 125.368 1.467 . . . . 0.85999999999999999 114.455 -173.18 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 11.4 m80 -79.47 -35.18 40.7 Favored 'General case' 0 C--N 1.363 1.167 0 N-CA-C 115.155 1.539 . . . . 2.3900000000000001 115.155 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.1 ptm180 -86.76 48.72 1.68 Allowed 'General case' 0 C--N 1.362 1.134 0 C-N-CA 127.049 2.139 . . . . 3.9100000000000001 113.774 171.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -140.23 60.75 1.54 Allowed 'General case' 0 C--N 1.373 1.591 0 CA-C-N 120.442 1.474 . . . . 6.3799999999999999 110.551 -166.796 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.7 ptmt 55.71 34.91 24.27 Favored 'General case' 0 N--CA 1.497 1.893 0 C-N-CA 127.654 2.382 . . . . 5.9000000000000004 114.982 173.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.4 m -80.02 -16.44 55.13 Favored 'General case' 0 C--N 1.37 1.488 0 C-N-CA 126.122 1.769 . . . . 4.0999999999999996 114.492 -145.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -90.34 61.43 5.03 Favored 'General case' 0 C--N 1.368 1.379 0 C-N-CA 128.146 2.578 . . . . 8.1699999999999999 110.732 179.417 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -146.01 -55.26 0.28 Allowed 'General case' 0 N--CA 1.441 -0.909 0 N-CA-C 103.801 -2.666 . . . . 11.25 103.801 -179.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -101.11 96.94 7.55 Favored 'General case' 0 C--N 1.368 1.399 0 C-N-CA 126.077 1.751 . . . . 9.0999999999999996 108.094 165.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -105.45 39.25 1.78 Allowed 'General case' 0 C--N 1.361 1.067 0 C-N-CA 126.48 1.912 . . . . 9.6899999999999995 112.213 -171.031 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -149.39 61.3 1.03 Allowed 'General case' 0 N--CA 1.438 -1.038 0 C-N-CA 127.119 2.168 . . . . 12.300000000000001 107.095 177.795 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -104.34 97.01 7.01 Favored 'General case' 0 C--N 1.373 1.599 0 C-N-CA 124.962 1.305 . . . . 12.73 107.709 154.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.48 -171.99 2.74 Favored 'General case' 0 CA--C 1.498 -1.035 0 N-CA-C 119.954 3.316 . . . . 16.57 119.954 -132.623 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 91.23 53.93 2.08 Favored Glycine 0 C--N 1.363 2.075 1 C-N-CA 134.227 5.679 . . . . 15.41 106.547 -168.277 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . 0.291 9.9 t80 -91.8 -36.79 13.33 Favored 'General case' 0 C--N 1.369 1.438 0 N-CA-C 115.927 1.825 . . . . 14.050000000000001 115.927 -137.176 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -129.04 51.77 2.01 Favored 'General case' 0 N--CA 1.44 -0.958 0 C-N-CA 127.791 2.436 . . . . 14.869999999999999 106.148 169.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -163.94 96.11 0.13 Allowed Glycine 0 C--N 1.358 1.755 0 N-CA-C 105.657 -2.977 . . . . 15.93 105.657 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 74.5 m-70 -123.9 165.64 22.78 Favored Pre-proline 0 C--N 1.36 1.061 0 C-N-CA 125.732 1.613 . . . . 18.370000000000001 107.909 -170.374 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_exo . . . . . 0 C--O 1.261 1.639 0 C-N-CA 123.465 2.777 . . . . 17.68 111.165 176.801 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.279 0 N-CA-C 110.565 -0.161 . . . . 17.23 110.565 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.0 m -151.57 28.08 0.64 Allowed 'General case' 0 C--N 1.361 1.074 0 C-N-CA 125.587 1.555 . . . . 16.920000000000002 106.912 178.376 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 10.0 p30 -138.49 102.02 4.51 Favored 'General case' 0 C--N 1.365 1.244 0 N-CA-C 106.886 -1.524 . . . . 17.010000000000002 106.886 -174.062 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.55 128.0 1.03 Allowed Glycine 0 C--N 1.359 1.847 0 N-CA-C 108.447 -1.861 . . . . 15.789999999999999 108.447 -179.126 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -173.55 167.65 2.54 Favored Pre-proline 0 C--N 1.363 1.176 0 N-CA-C 105.376 -2.083 . . . . 16.199999999999999 105.376 -177.13 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -79.13 139.24 14.89 Favored 'Trans proline' 0 C--N 1.363 1.315 0 C-N-CA 124.138 3.225 . . . . 14.32 110.7 161.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -115.01 47.04 1.33 Allowed 'General case' 0 C--N 1.363 1.175 0 C-N-CA 125.813 1.645 . . . . 15.539999999999999 106.718 -179.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -135.3 -28.48 1.14 Allowed 'General case' 0 C--N 1.357 0.911 0 C-N-CA 127.784 2.434 . . . . 17.260000000000002 105.041 175.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -109.39 147.66 32.4 Favored 'General case' 0 C--N 1.363 1.169 0 C-N-CA 127.333 2.253 . . . . 14.380000000000001 107.343 179.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 48.9 mtm-85 -110.06 -174.53 2.51 Favored 'General case' 0 C--N 1.36 1.058 0 C-N-CA 126.4 1.88 . . . . 13.85 109.733 -165.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.3 mtmp? -138.93 78.83 1.69 Allowed 'General case' 0 C--N 1.36 1.033 0 N-CA-C 105.661 -1.977 . . . . 13.210000000000001 105.661 172.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.444 HH21 ' HE ' ' A' ' 47' ' ' ARG . 88.4 mtm180 -86.82 -132.36 0.06 Allowed 'General case' 0 C--N 1.367 1.364 0 C-N-CA 129.898 3.279 . . . . 10.609999999999999 110.952 178.672 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.51 173.26 7.71 Favored 'General case' 0 C--N 1.363 1.163 0 C-N-CA 127.304 2.242 . . . . 8.1999999999999993 112.44 -177.602 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.4 m -106.29 156.19 7.0 Favored 'Isoleucine or valine' 0 C--N 1.359 0.993 0 C-N-CA 126.531 1.933 . . . . 4.5700000000000003 110.101 -156.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -175.47 131.43 0.28 Allowed 'General case' 0 C--N 1.358 0.97 0 N-CA-C 103.901 -2.629 . . . . 5.2400000000000002 103.901 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -106.45 103.28 12.7 Favored 'General case' 0 C--N 1.365 1.252 0 C-N-CA 127.076 2.15 . . . . 1.6399999999999999 108.458 170.091 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 32.8 m -127.31 -166.64 1.63 Allowed 'General case' 0 C--N 1.35 0.608 0 C-N-CA 128.362 2.665 . . . . 1.3100000000000001 106.911 173.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.7 pttm -76.06 -10.94 59.82 Favored 'General case' 0 C--N 1.367 1.359 0 C-N-CA 127.554 2.342 . . . . 3.73 116.273 -169.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -78.55 -34.57 47.0 Favored 'General case' 0 C--N 1.367 1.332 0 C-N-CA 126.839 2.055 . . . . 1.1299999999999999 112.679 172.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 42.9 mm-40 -76.89 -44.11 33.19 Favored 'General case' 0 C--N 1.366 1.3 0 C-N-CA 128.796 2.839 . . . . 0.85999999999999999 111.272 -174.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 62.4 p -74.49 -28.8 61.17 Favored 'General case' 0 C--N 1.363 1.188 0 C-N-CA 126.493 1.917 . . . . 1.1200000000000001 111.947 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 54.0 t80 -65.63 -51.08 62.33 Favored 'General case' 0 C--N 1.369 1.45 0 C-N-CA 127.494 2.318 . . . . 1.22 112.765 175.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -74.45 -34.32 63.14 Favored 'General case' 0 C--N 1.358 0.967 0 N-CA-C 115.741 1.756 . . . . 1.3100000000000001 115.741 -176.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 83.2 mt -74.1 -42.32 60.28 Favored 'General case' 0 C--N 1.361 1.077 0 C-N-CA 126.621 1.968 . . . . 1.0900000000000001 114.369 178.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -69.2 -30.94 69.23 Favored 'General case' 0 C--N 1.363 1.164 0 C-N-CA 127.005 2.122 . . . . 1.6599999999999999 115.382 171.046 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.6 ptm180 -77.49 -31.06 53.38 Favored 'General case' 0 C--N 1.369 1.422 0 N-CA-C 115.364 1.616 . . . . 2.54 115.364 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.44 ' HE ' HE21 ' A' ' 31' ' ' GLN 0.254 37.2 mmm-85 -79.73 -16.51 55.49 Favored 'General case' 0 C--N 1.37 1.496 0 C-N-CA 123.879 0.872 . . . . 2.54 112.675 164.542 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -75.33 -30.51 60.31 Favored 'General case' 0 C--N 1.368 1.373 0 O-C-N 120.44 -1.412 . . . . 0.82999999999999996 114.344 173.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.421 ' HD3' HH12 ' A' ' 66' ' ' ARG . 9.3 tpt180 -93.62 -37.51 11.83 Favored 'General case' 0 C--N 1.353 0.736 0 C-N-CA 125.917 1.687 . . . . 4.5700000000000003 114.213 -167.546 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 65.8 tp60 -92.41 -23.22 19.26 Favored 'General case' 0 C--N 1.367 1.359 0 C-N-CA 127.037 2.135 . . . . 2.5299999999999998 112.519 174.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.44 HE21 ' HE ' ' A' ' 27' ' ' ARG . 0.4 OUTLIER -127.4 165.59 19.5 Favored 'General case' 0 C--N 1.363 1.177 0 N-CA-C 105.916 -1.883 . . . . 2.04 105.916 -176.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . 0.26 94.1 mtt-85 -89.05 -79.82 0.31 Allowed 'General case' 0 C--N 1.355 0.807 0 N-CA-C 105.92 -1.881 . . . . 4.25 105.92 130.354 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . 2.369 16.5 m-85 70.74 49.28 0.39 Allowed 'General case' 0 C--N 1.362 1.11 0 C-N-CA 130.943 3.697 . . . . 5.9000000000000004 114.631 122.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . 2.337 0.0 OUTLIER -79.8 -122.87 0.01 OUTLIER 'General case' 0 C--N 1.359 1.011 0 C-N-CA 129.207 3.003 . . . . 1.28 110.873 173.04 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 21.7 t 118.44 167.31 0.0 OUTLIER 'General case' 0 C--N 1.378 1.809 0 C-N-CA 130.959 3.704 . . . . 2.04 101.383 -170.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -73.22 -49.42 7.02 Favored Pre-proline 0 C--N 1.347 0.472 0 CA-C-O 116.218 -1.848 . . . . 1.23 114.197 178.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -72.52 -17.41 26.7 Favored 'Trans proline' 0 C--N 1.365 1.415 0 CA-C-N 125.067 2.845 . . . . 1.3899999999999999 116.137 179.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.303 1.2 pt-20 -97.37 -14.29 21.34 Favored 'General case' 0 C--N 1.368 1.389 0 CA-C-N 120.327 1.421 . . . . 1.72 113.365 178.692 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 37.2 ttm180 -81.52 -36.11 29.56 Favored 'General case' 0 C--N 1.372 1.583 0 C-N-CA 125.828 1.651 . . . . 3.04 112.307 170.226 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -76.91 -23.15 52.51 Favored 'General case' 0 C--N 1.372 1.568 0 C-N-CA 126.88 2.072 . . . . 1.8600000000000001 112.662 179.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 45.4 t-80 -85.01 -31.19 23.61 Favored 'General case' 0 C--N 1.362 1.14 0 C-N-CA 127.88 2.472 . . . . 2.0099999999999998 110.97 178.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -75.85 -35.4 59.95 Favored 'General case' 0 C--N 1.368 1.374 0 C-N-CA 128.201 2.601 . . . . 1.1899999999999999 112.212 174.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -80.79 -29.67 36.04 Favored 'General case' 0 C--N 1.364 1.196 0 C-N-CA 128.131 2.572 . . . . 1.0700000000000001 113.029 -179.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 73.8 m -84.57 -29.55 25.75 Favored 'General case' 0 C--N 1.364 1.203 0 C-N-CA 124.796 1.238 . . . . 1.03 113.216 176.034 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 36.6 tp -72.79 -38.2 67.31 Favored 'General case' 0 C--N 1.361 1.092 0 C-N-CA 125.823 1.649 . . . . 2.3500000000000001 113.18 175.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.3 pt -99.12 -18.09 6.43 Favored 'Isoleucine or valine' 0 C--N 1.368 1.389 0 C-N-CA 124.085 0.954 . . . . 1.0900000000000001 112.998 -173.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.444 ' HE ' HH21 ' A' ' 12' ' ' ARG . 1.3 tpp180 95.32 45.1 0.0 OUTLIER 'General case' 0 C--N 1.375 1.676 0 C-N-CA 130.092 3.357 . . . . 3.6099999999999999 114.366 164.257 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 94.6 mt -127.45 -175.57 3.49 Favored 'General case' 0 C--N 1.356 0.889 0 O-C-N 120.636 -1.29 . . . . 1.1799999999999999 109.613 -177.145 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.409 HG23 ' H ' ' A' ' 51' ' ' THR . 71.5 p -90.74 145.59 32.37 Favored Pre-proline 0 C--N 1.369 1.435 0 C-N-CA 126.774 2.029 . . . . 1.4099999999999999 109.482 -178.139 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_exo -61.89 -20.99 71.37 Favored 'Trans proline' 0 C--N 1.366 1.476 1 C-N-CA 126.173 4.582 . . . . 1.0600000000000001 116.142 173.542 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.409 ' H ' HG23 ' A' ' 49' ' ' THR . 13.6 t -87.74 -29.0 21.4 Favored 'General case' 0 C--N 1.366 1.312 0 C-N-CA 126.613 1.965 . . . . 1.1299999999999999 110.869 -176.794 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -82.27 -33.55 29.11 Favored 'General case' 0 C--N 1.373 1.615 0 CA-C-N 119.575 1.079 . . . . 1.04 112.542 178.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.3 p -69.49 -38.02 76.07 Favored 'Isoleucine or valine' 0 C--N 1.378 1.831 0 C-N-CA 125.52 1.528 . . . . 1.0900000000000001 112.624 171.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 6.3 mmmt -53.48 -50.67 64.86 Favored 'General case' 0 C--N 1.373 1.61 0 C-N-CA 127.656 2.382 . . . . 1.74 115.442 169.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.0 mt -86.31 -4.81 9.63 Favored 'Isoleucine or valine' 0 C--N 1.366 1.288 0 N-CA-C 114.823 1.416 . . . . 1.3200000000000001 114.823 178.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 24.9 t90 -75.77 -43.5 46.23 Favored 'General case' 0 C--N 1.376 1.753 0 C-N-CA 124.856 1.262 . . . . 0.34000000000000002 110.558 169.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -82.87 -20.29 35.81 Favored 'General case' 0 C--N 1.371 1.52 0 C-N-CA 125.43 1.492 . . . . 0.46000000000000002 113.098 179.093 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -85.0 -23.92 28.47 Favored 'General case' 0 C--N 1.369 1.433 0 C-N-CA 125.768 1.627 . . . . 1.3400000000000001 112.231 178.238 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 51.5 m-20 -87.4 -28.71 21.99 Favored 'General case' 0 C--N 1.367 1.354 0 C-N-CA 125.48 1.512 . . . . 0.85999999999999999 113.231 171.597 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 2.4 m80 -81.59 -16.49 51.42 Favored 'General case' 0 C--N 1.365 1.264 0 N-CA-C 115.207 1.558 . . . . 2.3900000000000001 115.207 -173.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . 0.346 0.0 OUTLIER -81.43 -35.0 31.16 Favored 'General case' 0 C--N 1.37 1.479 0 CA-C-N 119.673 1.124 . . . . 3.9100000000000001 113.91 -178.312 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 51.7 p90 -164.64 113.81 1.13 Allowed 'General case' 0 N--CA 1.434 -1.274 0 N-CA-C 106.396 -1.705 . . . . 6.3799999999999999 106.396 158.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.0 mptp? -126.24 97.98 5.28 Favored 'General case' 0 C--N 1.35 0.62 0 N-CA-C 103.955 -2.609 . . . . 5.9000000000000004 103.955 67.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . 0.346 0.6 OUTLIER -43.21 77.23 0.0 OUTLIER 'General case' 0 C--N 1.373 1.602 1 C-N-CA 134.616 5.166 . . . . 4.0999999999999996 117.479 -162.828 . . . . . . . . 4 3 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 6.5 ptpp? -90.32 26.55 1.9 Allowed 'General case' 0 N--CA 1.449 -0.52 1 C-N-CA 132.279 4.232 . . . . 8.1699999999999999 115.018 -175.103 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.421 HH12 ' HD3' ' A' ' 29' ' ' ARG . 75.2 ttt-85 -156.03 -52.88 0.08 Allowed 'General case' 0 C--N 1.358 0.944 0 N-CA-C 106.842 -1.54 . . . . 11.25 106.842 -179.403 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -100.4 117.03 33.75 Favored 'General case' 0 C--N 1.361 1.092 0 C-N-CA 126.517 1.927 . . . . 9.0999999999999996 109.462 -171.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -105.39 44.89 1.0 Allowed 'General case' 0 C--N 1.359 1.021 0 C-N-CA 126.655 1.982 . . . . 9.6899999999999995 109.787 -177.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -174.8 96.91 0.08 Allowed 'General case' 0 N--CA 1.422 -1.828 2 C-N-CA 132.299 4.239 . . . . 12.300000000000001 99.637 -169.399 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . 2.137 18.3 pt-20 -47.9 -100.16 0.0 OUTLIER 'General case' 0 C--N 1.353 0.727 0 C-N-CA 130.504 3.522 . . . . 12.73 117.827 168.305 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.2 mmmm -81.18 121.43 26.12 Favored 'General case' 0 C--N 1.357 0.906 0 C-N-CA 124.848 1.259 . . . . 16.57 111.924 -177.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 126.51 -39.21 2.03 Favored Glycine 0 C--N 1.355 1.601 0 C-N-CA 125.538 1.542 . . . . 15.41 113.564 175.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 32.8 t80 -69.59 -51.29 36.58 Favored 'General case' 0 C--N 1.367 1.33 0 C-N-CA 128.311 2.644 . . . . 14.050000000000001 117.164 -161.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -105.88 32.7 4.19 Favored 'General case' 0 N--CA 1.446 -0.628 0 C-N-CA 127.403 2.281 . . . . 14.869999999999999 113.304 -161.189 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 63.07 47.47 88.23 Favored Glycine 0 C--N 1.362 2.009 0 C-N-CA 127.644 2.545 . . . . 15.93 117.502 165.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . 2.392 52.5 t60 173.63 64.26 0.04 OUTLIER Pre-proline 0 N--CA 1.44 -0.938 0 CA-C-O 115.79 -2.052 . . . . 18.370000000000001 108.197 174.759 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo . . . . . 0 C--O 1.262 1.701 0 CA-C-N 125.721 3.079 . . . . 17.68 109.499 165.548 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.495 0.188 . . . . 17.23 110.817 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.8 t -142.3 -107.32 0.14 Allowed 'General case' 0 C--N 1.36 1.03 0 N-CA-C 104.651 -2.352 . . . . 16.920000000000002 104.651 179.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -156.46 144.5 19.59 Favored 'General case' 0 C--N 1.358 0.975 0 N-CA-C 105.669 -1.975 . . . . 17.010000000000002 105.669 -179.318 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.44 134.06 3.06 Favored Glycine 0 C--N 1.355 1.59 0 N-CA-C 105.721 -2.951 . . . . 15.789999999999999 105.721 177.222 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 17.0 mt -129.7 164.56 39.22 Favored Pre-proline 0 C--N 1.361 1.081 0 N-CA-C 105.306 -2.109 . . . . 16.199999999999999 105.306 -178.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -82.18 73.99 5.4 Favored 'Trans proline' 0 C--N 1.369 1.648 0 C-N-CA 124.383 3.389 . . . . 14.32 110.325 174.021 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 58.8 m-80 -166.66 -47.45 0.02 OUTLIER 'General case' 0 C--N 1.357 0.917 0 N-CA-C 103.194 -2.891 . . . . 15.539999999999999 103.194 -167.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 57.6 mtpt -84.64 -45.86 12.08 Favored 'General case' 0 C--N 1.367 1.349 0 C-N-CA 129.108 2.963 . . . . 17.260000000000002 110.314 -179.096 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 17.6 pttm -145.74 122.1 10.95 Favored 'General case' 0 C--N 1.357 0.899 0 N-CA-C 103.987 -2.597 . . . . 14.380000000000001 103.987 173.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 -116.8 128.65 55.5 Favored 'General case' 0 C--N 1.36 1.034 0 C-N-CA 125.288 1.435 . . . . 13.85 107.427 -173.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . 0.258 36.0 mtmm 88.56 23.03 0.04 OUTLIER 'General case' 0 C--N 1.369 1.436 0 C-N-CA 129.839 3.256 . . . . 13.210000000000001 110.053 -170.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 51.9 ptt85 -63.72 168.23 5.11 Favored 'General case' 0 C--N 1.363 1.179 0 C-N-CA 131.51 3.924 . . . . 10.609999999999999 118.246 -173.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.3 mmm180 -92.64 161.96 14.36 Favored 'General case' 0 C--N 1.365 1.245 0 C-N-CA 128.275 2.63 . . . . 8.1999999999999993 109.059 162.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.4 m -90.84 153.06 3.25 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.748 0 C-N-CA 126.761 2.024 . . . . 4.5700000000000003 113.481 -156.025 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -120.63 90.16 3.27 Favored 'General case' 0 C--N 1.363 1.163 0 C-N-CA 125.424 1.49 . . . . 5.2400000000000002 108.043 178.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 19.8 m-30 -105.64 154.99 19.67 Favored 'General case' 0 C--N 1.36 1.024 0 C-N-CA 129.28 3.032 . . . . 1.6399999999999999 110.096 178.199 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.6 m -96.23 -178.21 4.24 Favored 'General case' 0 C--N 1.373 1.617 0 C-N-CA 126.821 2.049 . . . . 1.3100000000000001 110.818 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.9 ptmm? -80.61 7.31 10.36 Favored 'General case' 0 C--N 1.37 1.481 0 N-CA-C 116.925 2.194 . . . . 3.73 116.925 -165.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.28 -48.92 8.61 Favored 'General case' 0 C--N 1.36 1.049 0 C-N-CA 126.146 1.778 . . . . 1.1299999999999999 111.873 158.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 55.8 mm-40 -76.13 -46.42 28.83 Favored 'General case' 0 C--N 1.368 1.38 0 C-N-CA 128.623 2.769 . . . . 0.85999999999999999 112.374 -168.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 59.9 p -70.93 -31.0 67.48 Favored 'General case' 0 C--N 1.37 1.485 0 C-N-CA 127.975 2.51 . . . . 1.1200000000000001 111.981 179.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 49.9 t80 -63.68 -53.95 43.33 Favored 'General case' 0 C--N 1.367 1.348 0 C-N-CA 128.873 2.869 . . . . 1.22 112.508 178.042 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -68.32 -37.67 80.79 Favored 'General case' 0 C--N 1.364 1.229 0 C-N-CA 125.977 1.711 . . . . 1.3100000000000001 115.597 -178.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 93.7 mt -69.12 -36.12 77.15 Favored 'General case' 0 C--N 1.361 1.082 0 N-CA-C 116.3 1.963 . . . . 1.0900000000000001 116.3 177.106 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -77.68 -22.21 50.87 Favored 'General case' 0 C--N 1.359 0.99 0 C-N-CA 126.903 2.081 . . . . 1.6599999999999999 113.738 176.244 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . 0.293 8.2 mmt85 -66.87 -55.22 15.69 Favored 'General case' 0 C--N 1.379 1.86 0 C-N-CA 123.318 0.647 . . . . 2.54 111.704 168.761 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.623 2.8 ptm180 -86.27 1.82 49.48 Favored 'General case' 0 C--N 1.372 1.548 0 N-CA-C 115.367 1.617 . . . . 2.54 115.367 -171.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 25.2 t80 -79.74 -43.02 23.34 Favored 'General case' 0 C--N 1.378 1.832 0 C-N-CA 126.909 2.084 . . . . 0.82999999999999996 113.792 153.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.2 tmm_? -80.51 -29.49 37.29 Favored 'General case' 0 C--N 1.368 1.408 0 C-N-CA 125.8 1.64 . . . . 4.5700000000000003 113.884 -173.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 66.0 tp60 -88.39 -24.62 23.03 Favored 'General case' 0 C--N 1.368 1.371 0 C-N-CA 127.928 2.491 . . . . 2.5299999999999998 112.528 -178.128 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -161.73 155.17 21.21 Favored 'General case' 0 C--N 1.361 1.1 0 N-CA-C 106.14 -1.8 . . . . 2.04 106.14 -173.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.7 mmm180 -90.13 -48.93 6.87 Favored 'General case' 0 C--N 1.363 1.188 0 C-N-CA 125.306 1.442 . . . . 4.25 109.554 173.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . 2.397 39.7 m-85 32.47 -145.87 0.0 OUTLIER 'General case' 0 C--N 1.371 1.536 1 C-N-CA 133.799 4.84 . . . . 5.9000000000000004 117.029 176.005 . . . . . . . . 3 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -155.48 129.92 9.0 Favored 'General case' 0 C--N 1.359 0.987 1 C-N-CA 132.124 4.17 . . . . 1.28 102.696 5.004 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 21.4 p -90.42 165.56 13.77 Favored 'General case' 0 C--N 1.368 1.377 0 C-N-CA 126.847 2.059 . . . . 2.04 109.862 -171.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.8 -34.39 14.53 Favored Pre-proline 0 C--N 1.366 1.317 0 N-CA-C 120.206 3.41 . . . . 1.23 120.206 -171.456 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_exo -67.18 -27.45 41.45 Favored 'Trans proline' 0 C--N 1.361 1.213 0 C-N-CA 124.173 3.249 . . . . 1.3899999999999999 115.581 175.335 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -107.85 -21.82 12.69 Favored 'General case' 0 C--N 1.362 1.122 0 C-N-CA 126.013 1.725 . . . . 1.72 114.764 176.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 60.9 ttp85 -78.22 -43.42 28.42 Favored 'General case' 0 C--N 1.377 1.774 0 CA-C-N 121.253 1.842 . . . . 3.04 111.429 179.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -82.71 -21.67 34.74 Favored 'General case' 0 C--N 1.368 1.404 0 C-N-CA 127.167 2.187 . . . . 1.8600000000000001 112.588 -176.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 47.1 t-80 -81.91 -26.77 33.8 Favored 'General case' 0 C--N 1.365 1.277 0 C-N-CA 127.735 2.414 . . . . 2.0099999999999998 111.269 177.158 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -69.8 -38.71 76.74 Favored 'General case' 0 C--N 1.368 1.41 0 C-N-CA 128.106 2.562 . . . . 1.1899999999999999 112.543 169.098 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -76.21 -27.42 56.82 Favored 'General case' 0 C--N 1.361 1.106 0 C-N-CA 127.752 2.421 . . . . 1.0700000000000001 113.794 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 68.3 m -85.15 -29.36 24.84 Favored 'General case' 0 C--N 1.36 1.034 0 C-N-CA 125.939 1.695 . . . . 1.03 113.505 175.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -76.88 -36.41 56.76 Favored 'General case' 0 C--N 1.364 1.207 0 C-N-CA 127.545 2.338 . . . . 2.3500000000000001 112.199 178.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.0 pt -102.66 -19.71 5.97 Favored 'Isoleucine or valine' 0 C--N 1.365 1.27 0 C-N-CA 124.329 1.052 . . . . 1.0900000000000001 111.489 -175.257 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 11.7 tpp85 85.21 66.85 0.01 OUTLIER 'General case' 0 C--N 1.374 1.644 0 C-N-CA 129.092 2.957 . . . . 3.6099999999999999 113.806 170.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 90.5 mt -137.6 -171.47 3.0 Favored 'General case' 0 C--N 1.36 1.039 0 C-N-CA 124.743 1.217 . . . . 1.1799999999999999 108.751 174.127 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 82.4 p -97.09 148.58 34.6 Favored Pre-proline 0 C--N 1.37 1.482 0 C-N-CA 127.498 2.319 . . . . 1.4099999999999999 109.292 178.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -59.73 -24.04 74.13 Favored 'Trans proline' 0 C--N 1.364 1.372 1 C-N-CA 126.458 4.772 . . . . 1.0600000000000001 117.002 170.598 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.6 t -87.75 -25.01 23.63 Favored 'General case' 0 C--N 1.365 1.247 0 C-N-CA 125.331 1.453 . . . . 1.1299999999999999 111.261 -175.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -84.96 -33.23 22.68 Favored 'General case' 0 C--N 1.371 1.516 0 C-N-CA 123.943 0.897 . . . . 1.04 112.84 177.319 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.6 p -66.46 -41.99 89.55 Favored 'Isoleucine or valine' 0 C--N 1.381 1.959 0 C-N-CA 125.042 1.337 . . . . 1.0900000000000001 112.615 170.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . 0.28 0.0 OUTLIER -72.14 -30.08 64.68 Favored 'General case' 0 C--N 1.366 1.294 0 N-CA-C 115.864 1.801 . . . . 1.74 115.864 176.692 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.265 0.3 OUTLIER -79.58 -13.88 13.29 Favored 'Isoleucine or valine' 0 C--N 1.385 2.118 0 CA-C-N 121.288 1.858 . . . . 1.3200000000000001 113.966 167.076 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 28.1 t90 -75.26 -38.89 60.3 Favored 'General case' 0 C--N 1.38 1.897 0 CA-C-N 120.738 1.608 . . . . 0.34000000000000002 111.762 174.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -81.34 -15.68 54.63 Favored 'General case' 0 C--N 1.368 1.372 0 C-N-CA 126.561 1.944 . . . . 0.46000000000000002 112.716 178.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -69.99 -45.42 67.33 Favored 'General case' 0 C--N 1.366 1.321 0 C-N-CA 127.001 2.12 . . . . 1.3400000000000001 113.124 165.249 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 64.5 m-20 -95.06 -28.97 14.83 Favored 'General case' 0 C--N 1.365 1.254 0 C-N-CA 125.605 1.562 . . . . 0.85999999999999999 114.244 -167.174 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -90.92 33.05 0.95 Allowed 'General case' 0 C--N 1.366 1.316 0 C-N-CA 124.766 1.226 . . . . 2.3900000000000001 114.092 -174.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . 0.336 0.0 OUTLIER -85.25 -36.63 20.79 Favored 'General case' 0 C--N 1.364 1.238 0 N-CA-C 113.875 1.065 . . . . 3.9100000000000001 113.875 171.881 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . 2.075 44.1 m-85 121.21 -86.34 0.0 OUTLIER 'General case' 0 C--N 1.361 1.095 0 CA-C-O 123.953 1.835 . . . . 6.3799999999999999 109.923 161.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . 0.349 0.7 OUTLIER 79.09 78.31 0.06 Allowed 'General case' 0 N--CA 1.48 1.039 0 CA-C-N 111.374 -2.648 . . . . 5.9000000000000004 111.685 -102.488 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.71 93.05 4.44 Favored 'General case' 0 C--N 1.367 1.33 0 C-N-CA 130.084 3.354 . . . . 4.0999999999999996 103.138 172.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.417 ' HB2' ' HZ3' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -75.51 55.8 0.84 Allowed 'General case' 0 C--N 1.352 0.687 0 C-N-CA 131.573 3.949 . . . . 8.1699999999999999 115.676 -171.277 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 14.8 tpt180 -106.32 -46.39 4.05 Favored 'General case' 0 C--N 1.356 0.872 0 C-N-CA 128.43 2.692 . . . . 11.25 104.607 162.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -100.1 104.92 16.5 Favored 'General case' 0 C--N 1.36 1.063 0 C-N-CA 127.356 2.263 . . . . 9.0999999999999996 105.798 159.26 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -87.86 89.76 8.12 Favored 'General case' 0 C--N 1.365 1.247 0 C-N-CA 125.524 1.53 . . . . 9.6899999999999995 112.965 -164.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -120.44 50.45 1.32 Allowed 'General case' 0 N--CA 1.444 -0.744 0 C-N-CA 129.067 2.947 . . . . 12.300000000000001 110.135 -178.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . 0.404 1.6 pm0 -63.79 -90.05 0.01 OUTLIER 'General case' 0 C--N 1.363 1.156 0 C-N-CA 127.795 2.438 . . . . 12.73 115.238 164.293 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -96.52 123.37 40.16 Favored 'General case' 0 C--N 1.383 2.032 0 CA-C-N 123.252 2.751 . . . . 16.57 109.137 173.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 149.61 -65.89 0.38 Allowed Glycine 0 C--N 1.355 1.588 0 N-CA-C 106.492 -2.643 . . . . 15.41 106.492 -176.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -78.97 -20.55 48.88 Favored 'General case' 0 C--N 1.357 0.899 0 C-N-CA 129.044 2.937 . . . . 14.050000000000001 116.601 -167.493 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -113.34 50.36 0.9 Allowed 'General case' 0 N--CA 1.44 -0.953 0 C-N-CA 128.901 2.881 . . . . 14.869999999999999 107.438 -173.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -169.77 -93.01 0.09 OUTLIER Glycine 0 C--N 1.355 1.602 0 N-CA-C 105.768 -2.933 . . . . 15.93 105.768 -178.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -143.8 89.81 7.2 Favored Pre-proline 0 C--N 1.359 1.006 0 N-CA-C 107.101 -1.444 . . . . 18.370000000000001 107.101 179.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo . . . . . 0 C--O 1.261 1.666 0 C-N-CA 123.717 2.945 . . . . 17.68 109.278 172.969 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.611 0.243 . . . . 17.23 110.708 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.0 m -137.5 21.51 2.93 Favored 'General case' 0 C--N 1.36 1.056 0 C-N-CA 125.583 1.553 . . . . 16.920000000000002 107.665 -179.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 45.9 t0 -160.8 118.81 2.46 Favored 'General case' 0 C--N 1.361 1.069 0 N-CA-C 103.631 -2.729 . . . . 17.010000000000002 103.631 178.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.65 -134.01 2.92 Favored Glycine 0 C--N 1.354 1.56 0 N-CA-C 106.233 -2.747 . . . . 15.789999999999999 106.233 -178.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 20.1 mt -123.55 155.89 65.22 Favored Pre-proline 0 C--N 1.363 1.164 0 N-CA-C 106.236 -1.764 . . . . 16.199999999999999 106.236 174.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_endo -81.51 108.33 1.92 Allowed 'Trans proline' 0 C--N 1.365 1.423 0 C-N-CA 123.547 2.831 . . . . 14.32 110.459 170.047 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 42.2 t30 -140.98 -56.05 0.5 Allowed 'General case' 0 C--N 1.357 0.922 0 N-CA-C 102.928 -2.989 . . . . 15.539999999999999 102.928 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -111.8 166.83 10.85 Favored 'General case' 0 C--N 1.361 1.065 0 C-N-CA 127.032 2.133 . . . . 17.260000000000002 105.941 169.172 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -107.87 43.59 1.19 Allowed 'General case' 0 C--N 1.364 1.233 0 C-N-CA 125.081 1.352 . . . . 14.380000000000001 108.791 172.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.2 mmm180 -136.01 26.51 3.27 Favored 'General case' 0 C--N 1.358 0.937 0 C-N-CA 127.436 2.295 . . . . 13.85 104.853 171.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -159.66 -39.27 0.05 Allowed 'General case' 0 C--N 1.362 1.118 0 N-CA-C 107.849 -1.167 . . . . 13.210000000000001 107.849 -163.063 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.71 161.29 0.35 Allowed 'General case' 0 C--N 1.363 1.195 0 N-CA-C 121.119 3.748 . . . . 10.609999999999999 121.119 -161.288 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 29.2 mmm180 -85.12 131.32 34.46 Favored 'General case' 0 C--N 1.369 1.423 0 C-N-CA 127.189 2.195 . . . . 8.1999999999999993 107.179 156.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 28.8 m -80.63 125.84 39.4 Favored 'Isoleucine or valine' 0 C--N 1.358 0.978 0 N-CA-C 115.831 1.789 . . . . 4.5700000000000003 115.831 -130.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -128.98 140.74 51.51 Favored 'General case' 0 N--CA 1.437 -1.124 0 N-CA-C 102.953 -2.98 . . . . 5.2400000000000002 102.953 173.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -105.84 121.08 43.32 Favored 'General case' 0 N--CA 1.433 -1.298 0 N-CA-C 105.382 -2.081 . . . . 1.6399999999999999 105.382 177.042 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 27.1 m -114.5 -171.88 2.01 Favored 'General case' 0 C--N 1.356 0.891 0 C-N-CA 126.863 2.065 . . . . 1.3100000000000001 108.454 -176.112 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -85.02 8.78 16.62 Favored 'General case' 0 C--N 1.37 1.481 0 C-N-CA 126.898 2.079 . . . . 3.73 114.896 -170.26 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.18 -47.51 10.05 Favored 'General case' 0 C--N 1.36 1.049 0 C-N-CA 126.533 1.933 . . . . 1.1299999999999999 111.778 160.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 50.6 mm-40 -72.14 -51.85 19.4 Favored 'General case' 0 C--N 1.37 1.492 0 C-N-CA 129.03 2.932 . . . . 0.85999999999999999 112.774 -170.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 67.0 p -68.15 -35.33 77.9 Favored 'General case' 0 C--N 1.368 1.411 0 C-N-CA 127.772 2.429 . . . . 1.1200000000000001 112.749 -178.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 46.0 t80 -63.13 -53.83 47.29 Favored 'General case' 0 C--N 1.365 1.261 0 C-N-CA 129.191 2.996 . . . . 1.22 112.83 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -67.6 -40.28 84.75 Favored 'General case' 0 C--N 1.362 1.139 0 C-N-CA 126.73 2.012 . . . . 1.3100000000000001 115.152 -178.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 98.3 mt -67.01 -35.69 80.48 Favored 'General case' 0 C--N 1.361 1.07 0 C-N-CA 126.725 2.01 . . . . 1.0900000000000001 115.791 178.101 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -78.15 -25.34 47.28 Favored 'General case' 0 C--N 1.358 0.96 0 C-N-CA 127.061 2.144 . . . . 1.6599999999999999 114.566 175.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . 0.299 5.3 mmt85 -68.13 -50.17 56.39 Favored 'General case' 0 C--N 1.378 1.826 0 C-N-CA 123.512 0.725 . . . . 2.54 111.857 172.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.441 0.0 OUTLIER -84.71 6.15 25.42 Favored 'General case' 0 C--N 1.374 1.67 0 CA-C-N 114.662 -1.154 . . . . 2.54 114.102 179.881 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -87.55 -31.94 19.63 Favored 'General case' 0 C--N 1.37 1.49 0 C-N-CA 126.13 1.772 . . . . 0.82999999999999996 114.597 157.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 33.4 mmt-85 -81.79 -41.7 20.78 Favored 'General case' 0 C--N 1.371 1.53 0 CA-C-N 120.872 1.669 . . . . 4.5700000000000003 113.696 179.103 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 66.5 tp60 -90.91 -22.87 20.68 Favored 'General case' 0 C--N 1.367 1.335 0 C-N-CA 127.799 2.439 . . . . 2.5299999999999998 112.979 -170.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -150.9 156.85 42.06 Favored 'General case' 0 C--N 1.361 1.068 0 N-CA-C 105.876 -1.898 . . . . 2.04 105.876 -177.159 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.449 ' HG3' HH11 ' A' ' 66' ' ' ARG . 15.5 mtm105 -105.45 -38.04 6.61 Favored 'General case' 0 C--N 1.364 1.208 0 C-N-CA 124.344 1.057 . . . . 4.25 110.535 -178.578 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . 0.484 0.2 OUTLIER -69.46 -84.27 0.03 OUTLIER 'General case' 0 C--N 1.37 1.488 0 N-CA-C 118.72 2.859 . . . . 5.9000000000000004 118.72 -145.478 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -129.58 159.51 36.13 Favored 'General case' 0 C--N 1.37 1.473 1 C-N-CA 136.56 5.944 . . . . 1.28 100.25 15.411 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 24.7 p -74.71 153.08 39.02 Favored 'General case' 0 C--N 1.384 2.096 0 CA-C-N 122.504 2.411 . . . . 2.04 112.589 178.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.09 -37.64 40.17 Favored Pre-proline 0 C--N 1.366 1.284 0 N-CA-C 118.558 2.799 . . . . 1.23 118.558 -167.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -68.55 -17.88 43.25 Favored 'Trans proline' 0 C--N 1.364 1.391 0 C-N-CA 124.529 3.486 . . . . 1.3899999999999999 115.44 173.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -106.16 -14.71 15.06 Favored 'General case' 0 C--N 1.363 1.157 0 C-N-CA 125.714 1.605 . . . . 1.72 114.699 174.05 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 46.0 ttp85 -79.67 -46.39 17.25 Favored 'General case' 0 C--N 1.377 1.768 0 C-N-CA 126.294 1.838 . . . . 3.04 111.528 177.473 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -79.35 -27.66 42.0 Favored 'General case' 0 C--N 1.369 1.416 0 C-N-CA 128.212 2.605 . . . . 1.8600000000000001 112.342 -176.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 45.6 t-80 -83.58 -25.75 30.64 Favored 'General case' 0 C--N 1.364 1.208 0 C-N-CA 127.713 2.405 . . . . 2.0099999999999998 111.243 -179.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -69.45 -35.65 75.85 Favored 'General case' 0 C--N 1.368 1.391 0 C-N-CA 127.886 2.474 . . . . 1.1899999999999999 112.708 167.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.54 -28.94 62.15 Favored 'General case' 0 C--N 1.362 1.147 0 C-N-CA 126.989 2.116 . . . . 1.0700000000000001 113.822 175.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 50.3 m -85.13 -30.55 23.9 Favored 'General case' 0 C--N 1.36 1.038 0 C-N-CA 125.552 1.541 . . . . 1.03 114.538 174.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -78.28 -34.85 48.68 Favored 'General case' 0 C--N 1.362 1.117 0 C-N-CA 127.36 2.264 . . . . 2.3500000000000001 112.292 -178.263 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.7 pt -100.65 -21.36 5.14 Favored 'Isoleucine or valine' 0 C--N 1.364 1.238 0 C-N-CA 124.486 1.114 . . . . 1.0900000000000001 111.344 -177.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 18.0 tpp180 86.09 66.25 0.01 OUTLIER 'General case' 0 C--N 1.374 1.651 0 C-N-CA 128.975 2.91 . . . . 3.6099999999999999 114.058 170.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 85.2 mt -134.52 -163.61 1.4 Allowed 'General case' 0 C--N 1.356 0.87 0 N-CA-C 107.193 -1.41 . . . . 1.1799999999999999 107.193 172.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 68.4 p -104.82 148.55 36.28 Favored Pre-proline 0 C--N 1.367 1.332 0 C-N-CA 127.258 2.223 . . . . 1.4099999999999999 107.431 178.039 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_exo -60.18 -20.22 60.72 Favored 'Trans proline' 0 C--N 1.362 1.273 1 C-N-CA 126.073 4.515 . . . . 1.0600000000000001 116.911 171.039 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.5 t -87.07 -29.99 21.48 Favored 'General case' 0 C--N 1.366 1.286 0 C-N-CA 126.302 1.841 . . . . 1.1299999999999999 111.394 -177.083 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -84.3 -30.8 25.28 Favored 'General case' 0 C--N 1.372 1.574 0 CA-C-N 119.428 1.013 . . . . 1.04 112.602 179.028 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.7 p -67.12 -39.38 83.07 Favored 'Isoleucine or valine' 0 C--N 1.38 1.92 0 C-N-CA 124.995 1.318 . . . . 1.0900000000000001 112.959 168.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.68 -53.11 51.88 Favored 'General case' 0 C--N 1.374 1.66 0 C-N-CA 127.77 2.428 . . . . 1.74 115.626 169.479 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.284 5.7 mt -85.02 -5.44 9.66 Favored 'Isoleucine or valine' 0 C--N 1.37 1.474 0 N-CA-C 114.917 1.451 . . . . 1.3200000000000001 114.917 -179.031 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 33.5 t90 -74.74 -42.43 58.28 Favored 'General case' 0 C--N 1.378 1.839 0 C-N-CA 125.376 1.47 . . . . 0.34000000000000002 110.764 166.099 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -84.21 -11.46 56.48 Favored 'General case' 0 C--N 1.366 1.286 0 C-N-CA 126.016 1.726 . . . . 0.46000000000000002 113.725 -179.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 -80.83 -35.33 33.05 Favored 'General case' 0 C--N 1.357 0.918 0 C-N-CA 127.522 2.329 . . . . 1.3400000000000001 111.866 170.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 61.2 m-20 -88.98 -42.83 11.55 Favored 'General case' 0 C--N 1.367 1.344 0 C-N-CA 126.261 1.824 . . . . 0.85999999999999999 113.434 -174.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -67.73 -18.5 64.92 Favored 'General case' 0 C--N 1.366 1.285 0 N-CA-C 116.893 2.183 . . . . 2.3900000000000001 116.893 -171.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 10.9 ptm180 -85.6 64.45 8.63 Favored 'General case' 0 C--N 1.371 1.522 0 C-N-CA 129.7 3.2 . . . . 3.9100000000000001 115.643 178.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 5.6 t80 18.35 -66.56 0.0 OUTLIER 'General case' 0 N--CA 1.51 2.57 0 C-N-CA 131.411 3.884 . . . . 6.3799999999999999 117.404 107.313 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.7 ptmm? 145.49 108.32 0.0 OUTLIER 'General case' 0 N--CA 1.433 -1.325 1 C-N-CA 135.59 5.556 . . . . 5.9000000000000004 102.289 -169.496 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 34.2 p -81.2 75.28 8.18 Favored 'General case' 0 N--CA 1.436 -1.136 0 C-N-CA 131.071 3.748 . . . . 4.0999999999999996 112.104 -171.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 20.1 ptmt -29.51 67.12 0.0 OUTLIER 'General case' 0 C--N 1.357 0.918 1 C-N-CA 139.764 7.226 . . . . 8.1699999999999999 119.069 -177.762 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.449 HH11 ' HG3' ' A' ' 32' ' ' ARG . 6.7 ptm180 -162.0 -28.44 0.05 OUTLIER 'General case' 0 N--CA 1.446 -0.646 0 C-N-CA 128.745 2.818 . . . . 11.25 104.577 167.667 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -96.74 102.9 14.77 Favored 'General case' 0 C--N 1.367 1.352 0 C-N-CA 127.254 2.222 . . . . 9.0999999999999996 108.475 164.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -103.04 97.94 7.96 Favored 'General case' 0 C--N 1.363 1.171 0 C-N-CA 126.763 2.025 . . . . 9.6899999999999995 107.103 177.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 17.9 t30 -144.43 69.96 1.28 Allowed 'General case' 0 N--CA 1.44 -0.949 0 N-CA-C 102.837 -3.023 . . . . 12.300000000000001 102.837 -174.147 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . 0.259 1.3 pm0 -48.26 -43.85 32.93 Favored 'General case' 0 C--N 1.356 0.889 1 N-CA-C 122.226 4.158 . . . . 12.73 122.226 -167.151 . . . . . . . . 3 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -115.42 126.16 54.03 Favored 'General case' 0 C--N 1.373 1.593 0 CA-C-N 123.639 2.927 . . . . 16.57 108.096 169.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 129.59 -50.47 0.89 Allowed Glycine 0 C--N 1.36 1.868 0 N-CA-C 108.232 -1.947 . . . . 15.41 108.232 176.47 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -76.05 -12.25 60.09 Favored 'General case' 0 C--N 1.361 1.072 0 C-N-CA 129.109 2.964 . . . . 14.050000000000001 116.664 -173.334 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -85.04 58.2 4.89 Favored 'General case' 0 C--N 1.358 0.975 0 C-N-CA 128.992 2.917 . . . . 14.869999999999999 112.404 -176.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 160.27 -104.05 0.24 Allowed Glycine 0 C--N 1.351 1.415 0 N-CA-C 105.726 -2.949 . . . . 15.93 105.726 176.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 81.0 m80 -132.78 103.12 13.3 Favored Pre-proline 0 C--N 1.36 1.024 0 N-CA-C 105.785 -1.932 . . . . 18.370000000000001 105.785 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo . . . . . 0 C--O 1.261 1.667 0 C-N-CA 124.074 3.183 . . . . 17.68 109.555 179.454 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.457 0 N-CA-C 112.298 0.481 . . . . 17.23 112.298 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.4 p -139.56 -42.93 0.44 Allowed 'General case' 0 C--N 1.359 0.985 0 N-CA-C 106.704 -1.591 . . . . 16.920000000000002 106.704 -175.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -141.74 86.74 2.01 Favored 'General case' 0 C--N 1.359 0.999 0 N-CA-C 103.032 -2.951 . . . . 17.010000000000002 103.032 174.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.03 -131.14 2.17 Favored Glycine 0 C--N 1.354 1.578 0 N-CA-C 106.717 -2.553 . . . . 15.789999999999999 106.717 -173.47 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 31.3 mt -118.63 86.29 29.03 Favored Pre-proline 0 C--N 1.364 1.214 0 CA-C-O 117.242 -1.361 . . . . 16.199999999999999 109.447 178.554 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -79.6 134.62 11.15 Favored 'Trans proline' 0 C--N 1.366 1.455 0 C-N-CA 123.348 2.699 . . . . 14.32 111.203 164.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -114.51 58.13 0.7 Allowed 'General case' 0 C--N 1.361 1.071 0 N-CA-C 105.443 -2.058 . . . . 15.539999999999999 105.443 175.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 56.2 pttt -158.73 -18.32 0.07 Allowed 'General case' 0 N--CA 1.441 -0.889 0 C-N-CA 126.319 1.848 . . . . 17.260000000000002 106.641 -173.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -116.54 -68.18 0.94 Allowed 'General case' 0 C--N 1.366 1.319 0 C-N-CA 125.519 1.528 . . . . 14.380000000000001 110.044 -172.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.5 tpt180 -153.88 -63.09 0.14 Allowed 'General case' 0 C--N 1.359 1.014 0 N-CA-C 109.123 -0.695 . . . . 13.85 109.123 -167.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . 2.421 58.1 tttp 169.4 -109.86 0.0 OUTLIER 'General case' 0 C--N 1.359 1.019 0 N-CA-C 106.15 -1.796 . . . . 13.210000000000001 106.15 -166.589 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.451 ' H ' ' HD2' ' A' ' 12' ' ' ARG 2.386 6.9 mpt_? 95.79 29.28 0.01 OUTLIER 'General case' 0 N--CA 1.43 -1.461 1 C-N-CA 133.672 4.789 . . . . 10.609999999999999 111.808 6.231 . . . . . . . . 4 3 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . 2.201 0.0 OUTLIER -44.13 -153.49 0.0 OUTLIER 'General case' 0 C--N 1.366 1.317 2 C-N-CA 133.554 4.742 . . . . 8.1999999999999993 122.734 -177.58 . . . . . . . . 4 3 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 2.067 16.3 m -68.84 -108.41 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.439 -0.992 1 C-N-CA 135.171 5.388 . . . . 4.5700000000000003 116.048 -170.291 . . . . . . . . 3 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -155.1 145.11 21.68 Favored 'General case' 0 CA--C 1.503 -0.837 0 N-CA-C 107.342 -1.355 . . . . 5.2400000000000002 107.342 73.268 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -104.98 151.8 23.48 Favored 'General case' 0 N--CA 1.434 -1.253 0 C-N-CA 127.444 2.298 . . . . 1.6399999999999999 111.008 -169.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 24.5 m -106.99 -172.27 2.05 Favored 'General case' 0 C--N 1.365 1.268 0 C-N-CA 127.165 2.186 . . . . 1.3100000000000001 107.96 174.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -85.05 7.88 19.89 Favored 'General case' 0 C--N 1.368 1.41 0 C-N-CA 126.852 2.061 . . . . 3.73 114.623 -171.823 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.17 -45.27 12.19 Favored 'General case' 0 C--N 1.361 1.077 0 C-N-CA 126.779 2.032 . . . . 1.1299999999999999 112.141 162.334 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 46.3 mm-40 -77.67 -48.11 17.59 Favored 'General case' 0 C--N 1.37 1.48 0 C-N-CA 127.858 2.463 . . . . 0.85999999999999999 112.092 -169.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 62.4 p -66.6 -38.08 86.22 Favored 'General case' 0 C--N 1.374 1.64 0 C-N-CA 127.717 2.407 . . . . 1.1200000000000001 112.513 178.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 49.2 t80 -58.57 -57.13 14.32 Favored 'General case' 0 C--N 1.369 1.422 0 C-N-CA 129.218 3.007 . . . . 1.22 112.69 177.191 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -67.9 -36.66 80.59 Favored 'General case' 0 C--N 1.367 1.352 0 C-N-CA 126.466 1.906 . . . . 1.3100000000000001 115.272 -175.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 97.5 mt -67.36 -37.46 83.26 Favored 'General case' 0 C--N 1.364 1.212 0 C-N-CA 126.232 1.813 . . . . 1.0900000000000001 115.799 176.062 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -76.77 -26.39 54.45 Favored 'General case' 0 C--N 1.36 1.05 0 C-N-CA 126.538 1.935 . . . . 1.6599999999999999 114.579 177.064 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 10.5 mtm180 -70.94 -46.4 62.49 Favored 'General case' 0 C--N 1.375 1.689 0 C-N-CA 124.153 0.981 . . . . 2.54 112.349 174.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.322 19.0 mmm-85 -72.79 -22.25 60.86 Favored 'General case' 0 C--N 1.379 1.89 0 N-CA-C 113.22 0.822 . . . . 2.54 113.22 -178.034 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -73.64 -33.67 64.63 Favored 'General case' 0 C--N 1.38 1.91 0 C-N-CA 125.718 1.607 . . . . 0.82999999999999996 113.034 169.26 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.8 mmm-85 -73.03 -29.11 62.76 Favored 'General case' 0 C--N 1.369 1.447 0 C-N-CA 126.083 1.753 . . . . 4.5700000000000003 115.422 174.223 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 89.8 mm-40 -92.53 -29.13 16.36 Favored 'General case' 0 C--N 1.363 1.165 0 C-N-CA 126.217 1.807 . . . . 2.5299999999999998 112.775 -179.011 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -158.49 172.42 18.35 Favored 'General case' 0 C--N 1.364 1.228 0 N-CA-C 107.862 -1.162 . . . . 2.04 107.862 179.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 60.9 mmt-85 -105.32 -38.66 6.43 Favored 'General case' 0 C--N 1.358 0.946 0 C-N-CA 126.046 1.738 . . . . 4.25 110.0 -176.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 -130.69 142.0 50.42 Favored 'General case' 0 C--N 1.359 1.012 0 C-N-CA 125.884 1.674 . . . . 5.9000000000000004 107.028 -174.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -146.43 120.16 9.23 Favored 'General case' 0 CA--C 1.501 -0.925 0 N-CA-C 103.272 -2.862 . . . . 1.28 103.272 -172.419 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 10.7 m -97.62 165.94 11.74 Favored 'General case' 0 C--N 1.366 1.311 0 C-N-CA 126.534 1.934 . . . . 2.04 108.698 -169.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -42.9 -36.82 1.73 Allowed Pre-proline 0 C--N 1.367 1.347 0 N-CA-C 121.402 3.853 . . . . 1.23 121.402 -170.113 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_exo -67.26 -32.76 32.5 Favored 'Trans proline' 0 C--N 1.361 1.193 0 C-N-CA 124.315 3.343 . . . . 1.3899999999999999 115.064 174.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -102.86 -20.3 14.34 Favored 'General case' 0 C--N 1.362 1.118 0 C-N-CA 126.365 1.866 . . . . 1.72 114.785 177.124 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 43.0 ttp180 -80.17 -42.06 24.12 Favored 'General case' 0 C--N 1.374 1.663 0 C-N-CA 126.323 1.849 . . . . 3.04 111.712 -179.318 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -80.75 -20.11 43.45 Favored 'General case' 0 C--N 1.368 1.396 0 C-N-CA 126.43 1.892 . . . . 1.8600000000000001 112.129 -178.323 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 44.5 t-80 -80.68 -27.66 37.0 Favored 'General case' 0 C--N 1.365 1.282 0 C-N-CA 128.102 2.561 . . . . 2.0099999999999998 111.781 175.212 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -74.42 -31.4 62.3 Favored 'General case' 0 C--N 1.37 1.464 0 C-N-CA 128.169 2.588 . . . . 1.1899999999999999 112.369 172.122 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -80.28 -27.02 38.64 Favored 'General case' 0 C--N 1.364 1.234 0 C-N-CA 127.669 2.388 . . . . 1.0700000000000001 112.936 176.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 70.8 m -85.16 -26.3 26.91 Favored 'General case' 0 C--N 1.36 1.05 0 C-N-CA 126.099 1.76 . . . . 1.03 113.298 173.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 50.4 tp -74.4 -39.31 62.76 Favored 'General case' 0 C--N 1.362 1.139 0 C-N-CA 127.451 2.3 . . . . 2.3500000000000001 112.462 176.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.4 pt -106.09 -17.86 7.41 Favored 'Isoleucine or valine' 0 C--N 1.366 1.295 0 C-N-CA 123.698 0.799 . . . . 1.0900000000000001 112.136 -173.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 12.4 tpp180 87.89 66.54 0.01 OUTLIER 'General case' 0 C--N 1.373 1.606 0 C-N-CA 129.277 3.031 . . . . 3.6099999999999999 114.047 169.055 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 87.0 mt -136.17 -167.58 2.07 Favored 'General case' 0 C--N 1.362 1.152 0 C-N-CA 124.18 0.992 . . . . 1.1799999999999999 109.515 176.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 80.0 p -100.96 148.37 34.98 Favored Pre-proline 0 C--N 1.369 1.451 0 C-N-CA 128.084 2.554 . . . . 1.4099999999999999 108.58 178.103 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_exo -59.42 -21.25 60.4 Favored 'Trans proline' 0 C--N 1.365 1.412 1 C-N-CA 126.474 4.783 . . . . 1.0600000000000001 117.122 171.439 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.8 t -87.34 -31.48 20.14 Favored 'General case' 0 C--N 1.365 1.261 0 C-N-CA 126.041 1.737 . . . . 1.1299999999999999 111.137 -175.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -83.13 -29.93 28.3 Favored 'General case' 0 C--N 1.37 1.466 0 CA-C-N 119.556 1.071 . . . . 1.04 112.633 178.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.2 p -69.54 -40.91 80.2 Favored 'Isoleucine or valine' 0 C--N 1.38 1.907 0 C-N-CA 124.52 1.128 . . . . 1.0900000000000001 112.549 170.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.9 tppt? -57.87 -44.76 86.83 Favored 'General case' 0 C--N 1.371 1.526 0 C-N-CA 127.977 2.511 . . . . 1.74 114.058 173.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.303 4.8 mt -88.85 -6.35 10.76 Favored 'Isoleucine or valine' 0 C--N 1.367 1.348 0 N-CA-C 115.454 1.649 . . . . 1.3200000000000001 115.454 179.536 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 40.1 t90 -75.03 -40.48 60.43 Favored 'General case' 0 C--N 1.378 1.831 0 CA-C-N 120.32 1.418 . . . . 0.34000000000000002 111.342 166.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -80.74 -15.78 55.57 Favored 'General case' 0 C--N 1.367 1.366 0 C-N-CA 126.388 1.875 . . . . 0.46000000000000002 113.361 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -79.0 -33.81 44.65 Favored 'General case' 0 C--N 1.361 1.068 0 C-N-CA 127.691 2.396 . . . . 1.3400000000000001 112.57 171.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -94.9 -35.82 11.87 Favored 'General case' 0 C--N 1.367 1.336 0 C-N-CA 125.662 1.585 . . . . 0.85999999999999999 114.652 -174.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -84.43 6.57 22.82 Favored 'General case' 0 C--N 1.364 1.209 0 N-CA-C 115.152 1.538 . . . . 2.3900000000000001 115.152 -170.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . 0.352 0.0 OUTLIER -67.81 -48.37 66.44 Favored 'General case' 0 C--N 1.37 1.466 0 N-CA-C 117.736 2.495 . . . . 3.9100000000000001 117.736 -177.674 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.59 ' HA ' ' HG1' ' A' ' 64' ' ' THR 2.175 37.5 m-85 112.94 -79.44 0.0 OUTLIER 'General case' 0 C--N 1.361 1.078 0 CA-C-O 122.536 1.16 . . . . 6.3799999999999999 108.887 174.137 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . 0.305 0.5 OUTLIER 84.15 36.54 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 127.731 2.413 . . . . 5.9000000000000004 113.352 -118.872 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.59 ' HG1' ' HA ' ' A' ' 62' ' ' TYR . 4.0 m -101.11 -32.46 10.56 Favored 'General case' 0 C--N 1.372 1.564 0 C-N-CA 126.014 1.726 . . . . 4.0999999999999996 115.011 -173.695 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.7 pttp -82.89 -22.0 34.08 Favored 'General case' 0 C--N 1.371 1.515 0 N-CA-C 116.863 2.171 . . . . 8.1699999999999999 116.863 -154.14 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 6.7 tpp180 -136.7 -155.31 0.61 Allowed 'General case' 0 C--N 1.359 0.988 0 N-CA-C 105.73 -1.952 . . . . 11.25 105.73 -168.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -100.03 55.56 0.93 Allowed 'General case' 0 C--N 1.368 1.39 0 CA-C-O 123.033 1.397 . . . . 9.0999999999999996 109.325 165.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -105.49 93.99 4.97 Favored 'General case' 0 N--CA 1.441 -0.878 0 C-N-CA 128.248 2.619 . . . . 9.6899999999999995 106.129 169.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -139.35 56.05 1.67 Allowed 'General case' 0 N--CA 1.443 -0.794 0 N-CA-C 105.48 -2.044 . . . . 12.300000000000001 105.48 -178.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.465 ' HG3' ' HZ1' ' A' ' 71' ' ' LYS 0.36 10.3 pt-20 -48.79 -51.68 27.92 Favored 'General case' 0 C--N 1.366 1.295 0 N-CA-C 121.189 3.774 . . . . 12.73 121.189 -170.833 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.471 ' H ' ' HD2' ' A' ' 71' ' ' LYS . 0.0 OUTLIER -102.48 122.74 44.92 Favored 'General case' 0 C--N 1.372 1.575 0 CA-C-N 122.904 2.593 . . . . 16.57 109.181 167.752 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 133.46 -52.2 0.83 Allowed Glycine 0 C--N 1.356 1.651 0 N-CA-C 107.8 -2.12 . . . . 15.41 107.8 175.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -75.4 -18.79 59.84 Favored 'General case' 0 C--N 1.365 1.258 0 C-N-CA 127.819 2.448 . . . . 14.050000000000001 116.264 -173.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -100.66 62.59 1.04 Allowed 'General case' 0 C--N 1.356 0.855 0 C-N-CA 129.085 2.954 . . . . 14.869999999999999 107.291 177.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 174.97 -83.52 0.07 OUTLIER Glycine 0 C--N 1.353 1.501 0 N-CA-C 105.166 -3.174 . . . . 15.93 105.166 -173.032 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 62.8 t-80 -113.13 101.04 52.89 Favored Pre-proline 0 C--N 1.365 1.24 0 C-N-CA 125.458 1.503 . . . . 18.370000000000001 107.13 172.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo . . . . . 0 C--O 1.262 1.682 0 C-N-CA 123.724 2.949 . . . . 17.68 109.647 175.904 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.426 0 N-CA-C 111.593 0.22 . . . . 17.23 111.593 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.1 m -134.15 -41.84 0.81 Allowed 'General case' 0 C--N 1.362 1.142 0 N-CA-C 106.427 -1.694 . . . . 16.920000000000002 106.427 176.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 52.8 m-20 -131.54 100.35 5.11 Favored 'General case' 0 C--N 1.361 1.097 0 N-CA-C 105.921 -1.881 . . . . 17.010000000000002 105.921 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.41 -142.94 4.06 Favored Glycine 0 C--N 1.357 1.737 0 N-CA-C 107.043 -2.423 . . . . 15.789999999999999 107.043 178.493 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . 0.251 21.3 mt -119.71 -50.69 0.04 OUTLIER Pre-proline 0 C--N 1.361 1.093 0 C-N-CA 126.845 2.058 . . . . 16.199999999999999 108.827 173.497 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -77.44 130.26 10.77 Favored 'Trans proline' 0 C--N 1.368 1.557 0 C-N-CA 124.552 3.502 . . . . 14.32 109.694 160.026 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -141.49 -165.63 2.02 Favored 'General case' 0 C--N 1.358 0.965 0 N-CA-C 108.078 -1.082 . . . . 15.539999999999999 108.078 -164.154 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.5 ttpp -139.08 -157.72 0.79 Allowed 'General case' 0 C--N 1.359 1.0 0 N-CA-C 105.285 -2.117 . . . . 17.260000000000002 105.285 176.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 16.4 tppt? -114.56 73.99 0.85 Allowed 'General case' 0 C--N 1.362 1.114 0 C-N-CA 126.163 1.785 . . . . 14.380000000000001 107.191 -175.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 64.4 mtm180 -138.97 -52.56 0.56 Allowed 'General case' 0 C--N 1.359 1.012 0 N-CA-C 105.593 -2.003 . . . . 13.85 105.593 179.021 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -116.53 92.36 3.85 Favored 'General case' 0 C--N 1.362 1.13 0 N-CA-C 105.149 -2.167 . . . . 13.210000000000001 105.149 173.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 28.3 ttp85 -60.15 117.16 4.81 Favored 'General case' 0 C--N 1.364 1.213 0 C-N-CA 130.223 3.409 . . . . 10.609999999999999 118.361 -162.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 45.8 mmm-85 -105.32 -171.22 1.87 Allowed 'General case' 0 C--N 1.36 1.054 0 C-N-CA 128.807 2.843 . . . . 8.1999999999999993 107.546 179.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.348 37.4 t -97.4 21.03 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.435 -1.187 1 C-N-CA 132.339 4.256 . . . . 4.5700000000000003 110.426 -173.478 . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -83.17 113.46 20.67 Favored 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 128.87 2.868 . . . . 5.2400000000000002 110.717 -175.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -105.14 152.84 22.31 Favored 'General case' 0 C--N 1.363 1.159 0 C-N-CA 126.426 1.891 . . . . 1.6399999999999999 111.843 -170.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 27.3 m -111.85 -170.1 1.59 Allowed 'General case' 0 C--N 1.365 1.248 0 C-N-CA 126.834 2.053 . . . . 1.3100000000000001 107.214 167.046 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.37 -7.79 56.65 Favored 'General case' 0 C--N 1.369 1.419 0 C-N-CA 126.927 2.091 . . . . 3.73 116.206 -168.448 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -82.59 -38.2 23.97 Favored 'General case' 0 C--N 1.364 1.238 0 C-N-CA 126.432 1.893 . . . . 1.1299999999999999 112.419 171.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 45.7 mm-40 -77.96 -42.64 32.24 Favored 'General case' 0 C--N 1.368 1.385 0 C-N-CA 127.562 2.345 . . . . 0.85999999999999999 111.326 -173.125 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 77.9 p -68.38 -36.49 79.24 Favored 'General case' 0 C--N 1.372 1.584 0 C-N-CA 127.484 2.314 . . . . 1.1200000000000001 112.524 178.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 54.0 t80 -63.34 -51.92 63.97 Favored 'General case' 0 C--N 1.371 1.501 0 C-N-CA 129.346 3.058 . . . . 1.22 112.917 178.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -73.23 -34.79 66.08 Favored 'General case' 0 C--N 1.361 1.068 0 N-CA-C 115.237 1.569 . . . . 1.3100000000000001 115.237 -176.555 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 84.5 mt -69.25 -43.03 74.8 Favored 'General case' 0 C--N 1.366 1.303 0 C-N-CA 126.114 1.765 . . . . 1.0900000000000001 114.456 176.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -69.86 -32.27 70.56 Favored 'General case' 0 C--N 1.363 1.171 0 C-N-CA 126.05 1.74 . . . . 1.6599999999999999 115.433 174.082 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.7 ptm180 -80.05 -27.69 39.38 Favored 'General case' 0 C--N 1.369 1.442 0 N-CA-C 115.39 1.626 . . . . 2.54 115.39 -177.204 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.266 33.1 mmm-85 -74.8 -28.44 60.72 Favored 'General case' 0 C--N 1.372 1.57 0 C-N-CA 124.309 1.044 . . . . 2.54 112.073 165.098 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -68.88 -33.74 74.28 Favored 'General case' 0 C--N 1.375 1.713 0 C-N-CA 126.146 1.778 . . . . 0.82999999999999996 113.983 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 37.4 mmt-85 -81.72 -15.27 54.93 Favored 'General case' 0 C--N 1.363 1.18 0 C-N-CA 124.887 1.275 . . . . 4.5700000000000003 114.217 -178.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 88.8 mm-40 -95.2 -29.67 14.41 Favored 'General case' 0 C--N 1.369 1.431 0 C-N-CA 125.943 1.697 . . . . 2.5299999999999998 113.058 172.046 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -164.97 154.57 13.13 Favored 'General case' 0 C--N 1.365 1.26 0 N-CA-C 105.351 -2.092 . . . . 2.04 105.351 -168.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 83.3 mtt-85 -102.83 -34.47 8.98 Favored 'General case' 0 C--N 1.362 1.141 0 O-C-N 120.842 -1.161 . . . . 4.25 108.915 -178.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 44.6 p90 -115.37 142.68 46.37 Favored 'General case' 0 N--CA 1.441 -0.925 0 C-N-CA 127.089 2.156 . . . . 5.9000000000000004 107.611 -178.17 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -150.5 121.82 7.85 Favored 'General case' 0 CA--C 1.497 -1.066 0 N-CA-C 102.466 -3.161 . . . . 1.28 102.466 -173.121 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 26.1 p -87.23 167.48 14.07 Favored 'General case' 0 C--N 1.366 1.305 0 C-N-CA 127.406 2.282 . . . . 2.04 110.008 -170.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.48 -35.53 16.3 Favored Pre-proline 0 C--N 1.366 1.32 0 N-CA-C 120.059 3.355 . . . . 1.23 120.059 -172.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -67.69 -31.07 33.5 Favored 'Trans proline' 0 C--N 1.362 1.237 0 C-N-CA 124.318 3.345 . . . . 1.3899999999999999 115.281 173.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -100.15 -21.23 15.62 Favored 'General case' 0 C--N 1.363 1.162 0 C-N-CA 126.559 1.943 . . . . 1.72 114.4 177.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 35.4 ttm180 -79.58 -41.98 25.99 Favored 'General case' 0 C--N 1.373 1.606 0 C-N-CA 127.063 2.145 . . . . 3.04 111.282 -178.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -81.38 -20.43 40.54 Favored 'General case' 0 C--N 1.369 1.433 0 C-N-CA 126.995 2.118 . . . . 1.8600000000000001 112.224 -177.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 47.9 t-80 -81.65 -27.16 34.24 Favored 'General case' 0 C--N 1.366 1.286 0 C-N-CA 128.225 2.61 . . . . 2.0099999999999998 111.634 175.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -75.3 -32.12 60.89 Favored 'General case' 0 C--N 1.369 1.433 0 C-N-CA 128.169 2.588 . . . . 1.1899999999999999 112.488 172.032 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.27 -25.96 36.14 Favored 'General case' 0 C--N 1.364 1.223 0 C-N-CA 127.727 2.411 . . . . 1.0700000000000001 113.021 177.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 69.5 m -85.15 -27.1 26.43 Favored 'General case' 0 C--N 1.359 1.007 0 C-N-CA 125.955 1.702 . . . . 1.03 113.085 173.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.0 tt -72.89 -40.49 65.53 Favored 'General case' 0 C--N 1.363 1.183 0 C-N-CA 127.774 2.43 . . . . 2.3500000000000001 112.581 175.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.3 pt -106.0 -17.27 7.72 Favored 'Isoleucine or valine' 0 C--N 1.365 1.252 0 C-N-CA 123.812 0.845 . . . . 1.0900000000000001 111.887 -173.296 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 22.8 tpt180 91.22 61.86 0.0 OUTLIER 'General case' 0 C--N 1.374 1.631 0 C-N-CA 129.436 3.094 . . . . 3.6099999999999999 114.377 163.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 68.8 mt -131.83 -168.08 1.97 Allowed 'General case' 0 C--N 1.365 1.252 0 O-C-N 121.239 -0.913 . . . . 1.1799999999999999 111.425 -178.405 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 64.4 p -98.32 147.6 33.35 Favored Pre-proline 0 C--N 1.371 1.511 0 C-N-CA 128.066 2.546 . . . . 1.4099999999999999 108.803 175.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_exo -61.83 -18.46 60.98 Favored 'Trans proline' 0 C--N 1.366 1.454 1 C-N-CA 126.171 4.58 . . . . 1.0600000000000001 116.576 172.58 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.6 t -88.25 -30.84 19.38 Favored 'General case' 0 C--N 1.365 1.247 0 C-N-CA 126.683 1.993 . . . . 1.1299999999999999 111.332 -176.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -83.12 -31.44 27.23 Favored 'General case' 0 C--N 1.371 1.535 0 CA-C-N 119.845 1.202 . . . . 1.04 112.161 178.159 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.1 p -67.69 -42.0 85.97 Favored 'Isoleucine or valine' 0 C--N 1.382 1.993 0 C-N-CA 124.237 1.015 . . . . 1.0900000000000001 112.907 169.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.08 -48.66 73.22 Favored 'General case' 0 C--N 1.372 1.555 0 C-N-CA 127.075 2.15 . . . . 1.74 115.781 172.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.288 5.9 mt -86.56 -8.48 11.08 Favored 'Isoleucine or valine' 0 C--N 1.366 1.305 0 N-CA-C 114.961 1.467 . . . . 1.3200000000000001 114.961 -178.511 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 34.1 t90 -74.28 -42.65 59.23 Favored 'General case' 0 C--N 1.379 1.866 0 CA-C-N 120.097 1.317 . . . . 0.34000000000000002 111.325 166.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -83.64 -10.88 57.91 Favored 'General case' 0 C--N 1.368 1.377 0 C-N-CA 126.166 1.786 . . . . 0.46000000000000002 113.766 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -76.58 -42.1 43.92 Favored 'General case' 0 C--N 1.359 0.984 0 C-N-CA 127.345 2.258 . . . . 1.3400000000000001 112.294 170.301 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -91.69 -23.13 19.9 Favored 'General case' 0 C--N 1.366 1.31 0 C-N-CA 125.71 1.604 . . . . 0.85999999999999999 113.9 -173.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 2.3 m80 -86.56 -17.01 35.1 Favored 'General case' 0 C--N 1.364 1.234 0 N-CA-C 115.457 1.651 . . . . 2.3900000000000001 115.457 -175.208 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -89.67 69.56 7.75 Favored 'General case' 0 C--N 1.369 1.452 0 C-N-CA 127.741 2.417 . . . . 3.9100000000000001 108.049 155.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 4.7 p90 -169.87 113.88 0.5 Allowed 'General case' 0 N--CA 1.424 -1.734 1 C-N-CA 132.896 4.479 . . . . 6.3799999999999999 105.045 34.2 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . 2.124 13.9 mmmm -68.09 -29.91 68.97 Favored 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 127.04 2.136 . . . . 5.9000000000000004 115.322 123.333 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . 0.323 19.1 p -95.68 -104.25 0.16 Allowed 'General case' 0 C--N 1.364 1.202 0 C-N-CA 126.555 1.942 . . . . 4.0999999999999996 115.73 -150.158 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 44.5 pttt -90.88 91.28 8.28 Favored 'General case' 0 C--N 1.378 1.837 0 C-N-CA 130.249 3.42 . . . . 8.1699999999999999 107.088 -178.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 14.0 mmm180 -54.63 111.15 0.75 Allowed 'General case' 0 C--N 1.349 0.587 1 C-N-CA 132.436 4.295 . . . . 11.25 114.716 -173.704 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -100.26 117.45 34.51 Favored 'General case' 0 C--N 1.362 1.12 0 C-N-CA 127.276 2.23 . . . . 9.0999999999999996 106.22 173.025 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 38.5 mm-40 -101.35 90.45 4.1 Favored 'General case' 0 C--N 1.362 1.12 0 CA-C-O 123.002 1.382 . . . . 9.6899999999999995 109.837 -169.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.57 HD21 ' HB2' ' A' ' 73' ' ' TYR . 1.4 p-10 -121.9 27.99 7.82 Favored 'General case' 0 CA--C 1.508 -0.659 0 C-N-CA 127.663 2.385 . . . . 12.300000000000001 113.106 -169.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -85.33 140.87 30.46 Favored 'General case' 0 C--N 1.357 0.933 0 C-N-CA 127.628 2.371 . . . . 12.73 107.74 147.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -94.92 127.79 41.22 Favored 'General case' 0 C--N 1.346 0.437 0 C-N-CA 131.268 3.827 . . . . 16.57 108.926 -10.492 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 173.04 -76.61 0.09 OUTLIER Glycine 0 C--N 1.358 1.781 0 N-CA-C 108.996 -1.642 . . . . 15.41 108.996 -175.095 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.57 ' HB2' HD21 ' A' ' 69' ' ' ASN . 14.3 m-85 -77.04 -18.65 57.97 Favored 'General case' 0 C--N 1.354 0.79 0 C-N-CA 130.531 3.532 . . . . 14.050000000000001 117.199 -166.519 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 33.6 mp0 -101.03 63.24 1.0 Allowed 'General case' 0 C--N 1.353 0.733 0 C-N-CA 128.06 2.544 . . . . 14.869999999999999 109.812 176.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 111.94 -104.84 1.71 Allowed Glycine 0 C--N 1.361 1.936 0 N-CA-C 108.457 -1.857 . . . . 15.93 108.457 -179.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 77.3 m80 -140.89 157.23 67.89 Favored Pre-proline 0 C--N 1.359 1.016 0 N-CA-C 105.628 -1.99 . . . . 18.370000000000001 105.628 -179.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo . . . . . 0 C--O 1.263 1.731 0 C-N-CA 123.861 3.041 . . . . 17.68 109.376 173.311 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.132 0 CA-C-O 121.18 0.514 . . . . 17.23 111.161 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.2 m -148.32 -132.84 0.06 Allowed 'General case' 0 C--N 1.363 1.173 0 N-CA-C 103.849 -2.648 . . . . 16.920000000000002 103.849 177.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -149.87 65.67 0.98 Allowed 'General case' 0 C--N 1.358 0.945 0 N-CA-C 103.451 -2.796 . . . . 17.010000000000002 103.451 175.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.56 -135.19 3.46 Favored Glycine 0 C--N 1.355 1.59 0 N-CA-C 106.921 -2.472 . . . . 15.789999999999999 106.921 -176.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 35.4 mt -124.3 90.13 51.16 Favored Pre-proline 0 C--N 1.361 1.102 0 CA-C-O 116.949 -1.501 . . . . 16.199999999999999 108.181 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -80.9 124.94 5.21 Favored 'Trans proline' 0 C--N 1.366 1.483 0 C-N-CA 123.759 2.973 . . . . 14.32 109.732 166.307 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -114.02 45.14 1.53 Allowed 'General case' 0 C--N 1.361 1.104 0 C-N-CA 125.581 1.553 . . . . 15.539999999999999 109.018 -167.085 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -160.62 -36.78 0.05 Allowed 'General case' 0 C--N 1.357 0.919 0 N-CA-C 107.003 -1.48 . . . . 17.260000000000002 107.003 -176.149 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 60.8 tttm -93.68 -62.17 1.41 Allowed 'General case' 0 C--N 1.365 1.254 0 C-N-CA 126.382 1.873 . . . . 14.380000000000001 110.224 -174.539 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 2.45 14.5 ptt180 122.85 161.0 0.0 OUTLIER 'General case' 0 C--N 1.36 1.05 0 N-CA-C 105.368 -2.086 . . . . 13.85 105.368 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . 0.304 2.7 tmtp? -128.44 -85.17 0.57 Allowed 'General case' 0 C--N 1.361 1.096 0 CA-C-O 117.282 -1.342 . . . . 13.210000000000001 108.889 -172.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . 2.43 35.3 ttt180 77.48 112.39 0.07 Allowed 'General case' 0 C--N 1.373 1.596 1 C-N-CA 137.285 6.234 . . . . 10.609999999999999 115.007 -3.884 . . . . . . . . 3 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . 2.159 0.0 OUTLIER -43.07 -125.15 0.0 OUTLIER 'General case' 0 C--N 1.365 1.258 1 C-N-CA 134.262 5.025 . . . . 8.1999999999999993 121.612 -169.406 . . . . . . . . 4 3 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.6 m -91.27 149.25 4.14 Favored 'Isoleucine or valine' 0 C--N 1.353 0.72 0 C-N-CA 130.097 3.359 . . . . 4.5700000000000003 108.292 -177.203 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -168.57 138.33 2.38 Favored 'General case' 0 C--N 1.357 0.906 0 N-CA-C 107.119 -1.438 . . . . 5.2400000000000002 107.119 -176.695 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . 2.264 75.5 m-85 -34.52 -17.65 0.0 OUTLIER 'General case' 0 C--N 1.372 1.56 2 C-N-CA 134.753 5.221 . . . . 1.6399999999999999 124.277 -175.532 . . . . . . . . 3 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 13.3 m -73.79 -178.43 3.19 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 129.699 3.2 . . . . 1.3100000000000001 115.974 -136.265 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 50.1 pttt -78.59 6.33 8.96 Favored 'General case' 0 C--N 1.373 1.599 0 C-N-CA 127.502 2.321 . . . . 3.73 115.417 -173.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.31 -52.47 5.87 Favored 'General case' 0 C--N 1.361 1.082 0 C-N-CA 127.195 2.198 . . . . 1.1299999999999999 110.847 160.402 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 44.4 mm-40 -66.64 -50.28 63.47 Favored 'General case' 0 C--N 1.375 1.706 0 C-N-CA 128.804 2.841 . . . . 0.85999999999999999 113.494 -177.018 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 59.9 p -70.48 -35.2 73.14 Favored 'General case' 0 C--N 1.366 1.298 0 C-N-CA 126.953 2.101 . . . . 1.1200000000000001 113.26 -178.049 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 51.8 t80 -64.44 -49.74 70.27 Favored 'General case' 0 C--N 1.367 1.361 0 C-N-CA 127.748 2.419 . . . . 1.22 113.273 178.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -74.4 -34.75 63.37 Favored 'General case' 0 C--N 1.358 0.958 0 N-CA-C 115.326 1.602 . . . . 1.3100000000000001 115.326 -176.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 90.3 mt -70.79 -43.36 68.86 Favored 'General case' 0 C--N 1.363 1.164 0 C-N-CA 126.1 1.76 . . . . 1.0900000000000001 114.486 177.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 75.9 mt-10 -69.34 -32.62 71.83 Favored 'General case' 0 C--N 1.363 1.191 0 C-N-CA 127.222 2.209 . . . . 1.6599999999999999 115.404 173.286 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.8 ptm180 -79.04 -27.01 43.13 Favored 'General case' 0 C--N 1.369 1.431 0 N-CA-C 115.016 1.487 . . . . 2.54 115.016 -178.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 38.0 mmm-85 -76.18 -30.25 57.98 Favored 'General case' 0 C--N 1.368 1.407 0 C-N-CA 124.158 0.983 . . . . 2.54 112.334 164.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -68.1 -34.23 76.01 Favored 'General case' 0 C--N 1.375 1.708 0 C-N-CA 126.879 2.072 . . . . 0.82999999999999996 114.037 -174.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 45.6 mmt-85 -77.24 -21.44 53.74 Favored 'General case' 0 C--N 1.364 1.203 0 C-N-CA 125.454 1.502 . . . . 4.5700000000000003 114.766 178.12 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 65.3 tp60 -94.04 -27.99 15.99 Favored 'General case' 0 N--CA 1.433 -1.315 0 C-N-CA 128.344 2.657 . . . . 2.5299999999999998 112.53 178.391 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -171.15 152.83 3.53 Favored 'General case' 0 C--N 1.367 1.362 0 N-CA-C 107.024 -1.473 . . . . 2.04 107.024 -168.066 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 23.8 mmt85 -105.07 -34.62 7.91 Favored 'General case' 0 C--N 1.361 1.099 0 C-N-CA 125.122 1.369 . . . . 4.25 110.369 -177.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.466 ' HH ' ' HE ' ' A' ' 61' ' ' ARG . 52.9 m-85 -122.89 139.74 53.72 Favored 'General case' 0 C--N 1.356 0.888 0 C-N-CA 125.379 1.471 . . . . 5.9000000000000004 107.576 179.599 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -144.47 122.21 11.9 Favored 'General case' 0 CA--C 1.502 -0.894 0 N-CA-C 102.455 -3.165 . . . . 1.28 102.455 -169.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 25.6 p -86.8 165.85 15.68 Favored 'General case' 0 C--N 1.366 1.293 0 C-N-CA 127.73 2.412 . . . . 2.04 110.724 -170.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.63 -37.27 15.98 Favored Pre-proline 0 C--N 1.367 1.333 0 N-CA-C 120.683 3.586 . . . . 1.23 120.683 -170.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -67.7 -29.79 35.42 Favored 'Trans proline' 0 C--N 1.361 1.19 0 C-N-CA 124.337 3.358 . . . . 1.3899999999999999 115.006 175.082 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -102.22 -21.04 14.44 Favored 'General case' 0 C--N 1.361 1.094 0 C-N-CA 126.605 1.962 . . . . 1.72 114.603 177.363 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 43.0 ttp180 -80.66 -41.67 23.41 Favored 'General case' 0 C--N 1.372 1.576 0 C-N-CA 126.453 1.901 . . . . 3.04 112.059 -178.439 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -80.42 -22.07 41.56 Favored 'General case' 0 C--N 1.367 1.344 0 C-N-CA 127.402 2.281 . . . . 1.8600000000000001 111.861 -178.432 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 21.2 t60 -82.53 -26.23 32.68 Favored 'General case' 0 C--N 1.367 1.333 0 C-N-CA 127.84 2.456 . . . . 2.0099999999999998 111.299 177.282 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -75.8 -31.65 59.54 Favored 'General case' 0 C--N 1.368 1.398 0 C-N-CA 128.423 2.689 . . . . 1.1899999999999999 112.07 172.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.32 -28.53 42.15 Favored 'General case' 0 C--N 1.365 1.28 0 C-N-CA 128.067 2.547 . . . . 1.0700000000000001 113.21 177.042 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 70.4 m -85.21 -25.06 27.57 Favored 'General case' 0 C--N 1.361 1.083 0 C-N-CA 126.053 1.741 . . . . 1.03 113.414 174.443 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -73.71 -41.52 62.46 Favored 'General case' 0 C--N 1.362 1.11 0 C-N-CA 127.628 2.371 . . . . 2.3500000000000001 112.231 175.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.3 pt -105.64 -15.31 8.62 Favored 'Isoleucine or valine' 0 C--N 1.364 1.239 0 C-N-CA 123.768 0.827 . . . . 1.0900000000000001 112.577 -171.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 7.9 tpp180 85.19 65.42 0.01 OUTLIER 'General case' 0 C--N 1.372 1.555 0 C-N-CA 128.748 2.819 . . . . 3.6099999999999999 114.057 171.161 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 92.0 mt -136.25 -172.8 3.23 Favored 'General case' 0 C--N 1.363 1.173 0 O-C-N 121.436 -0.79 . . . . 1.1799999999999999 109.485 175.087 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 81.9 p -94.48 147.21 32.87 Favored Pre-proline 0 C--N 1.371 1.521 0 C-N-CA 127.876 2.47 . . . . 1.4099999999999999 108.758 177.036 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_exo -60.98 -21.62 71.98 Favored 'Trans proline' 0 C--N 1.364 1.344 1 C-N-CA 126.226 4.617 . . . . 1.0600000000000001 116.52 172.659 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.4 t -88.45 -29.03 20.48 Favored 'General case' 0 C--N 1.366 1.311 0 C-N-CA 125.99 1.716 . . . . 1.1299999999999999 111.281 -175.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -82.6 -32.23 28.51 Favored 'General case' 0 C--N 1.372 1.55 0 CA-C-N 119.672 1.124 . . . . 1.04 112.513 177.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.9 p -68.29 -42.35 84.38 Favored 'Isoleucine or valine' 0 C--N 1.38 1.901 0 C-N-CA 125.158 1.383 . . . . 1.0900000000000001 112.708 172.641 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.31 -49.91 72.96 Favored 'General case' 0 C--N 1.372 1.577 0 C-N-CA 128.409 2.684 . . . . 1.74 114.105 172.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.285 6.1 mt -85.44 -5.28 9.66 Favored 'Isoleucine or valine' 0 C--N 1.367 1.33 0 N-CA-C 115.078 1.51 . . . . 1.3200000000000001 115.078 -179.589 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 28.9 t90 -74.43 -43.17 57.43 Favored 'General case' 0 C--N 1.378 1.837 0 C-N-CA 125.586 1.554 . . . . 0.34000000000000002 110.762 166.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -83.14 -15.64 49.92 Favored 'General case' 0 C--N 1.37 1.488 0 C-N-CA 125.703 1.601 . . . . 0.46000000000000002 113.663 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -76.22 -36.96 58.33 Favored 'General case' 0 C--N 1.364 1.204 0 C-N-CA 127.354 2.261 . . . . 1.3400000000000001 112.32 174.473 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 72.5 m-20 -89.26 -21.48 23.19 Favored 'General case' 0 C--N 1.365 1.241 0 C-N-CA 126.446 1.898 . . . . 0.85999999999999999 113.292 -177.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 1.2 m80 -84.74 -21.09 30.17 Favored 'General case' 0 C--N 1.365 1.254 0 N-CA-C 115.879 1.807 . . . . 2.3900000000000001 115.879 -172.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.466 ' HE ' ' HH ' ' A' ' 33' ' ' TYR 0.341 2.7 ppt_? -78.7 -35.4 45.04 Favored 'General case' 0 C--N 1.369 1.42 0 C-N-CA 124.586 1.154 . . . . 3.9100000000000001 113.546 -179.038 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 24.8 p90 -164.47 118.24 1.37 Allowed 'General case' 0 N--CA 1.429 -1.487 0 N-CA-C 104.103 -2.555 . . . . 6.3799999999999999 104.103 158.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 24.8 tptp -129.72 97.05 4.4 Favored 'General case' 0 N--CA 1.444 -0.769 0 N-CA-C 104.798 -2.297 . . . . 5.9000000000000004 104.798 65.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . 0.294 1.2 p -42.44 80.56 0.0 OUTLIER 'General case' 0 C--N 1.374 1.651 1 C-N-CA 134.728 5.211 . . . . 4.0999999999999996 117.243 -158.542 . . . . . . . . 3 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.0 ptmm? -88.75 -3.14 58.84 Favored 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 130.792 3.637 . . . . 8.1699999999999999 114.96 -175.052 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.61 -53.1 2.61 Favored 'General case' 0 C--N 1.364 1.22 0 C-N-CA 125.357 1.463 . . . . 11.25 107.955 -178.631 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -99.98 90.81 4.53 Favored 'General case' 0 C--N 1.364 1.209 0 C-N-CA 125.342 1.457 . . . . 9.0999999999999996 109.269 179.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -105.36 100.86 10.42 Favored 'General case' 0 CA--C 1.504 -0.812 0 C-N-CA 126.311 1.845 . . . . 9.6899999999999995 108.054 178.586 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -141.22 66.8 1.36 Allowed 'General case' 0 CA--C 1.498 -1.045 0 N-CA-C 105.985 -1.857 . . . . 12.300000000000001 105.985 175.274 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -86.28 129.24 34.92 Favored 'General case' 0 C--N 1.365 1.248 0 C-N-CA 127.349 2.26 . . . . 12.73 107.157 150.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 25.9 pttm -49.12 116.22 1.6 Allowed 'General case' 0 C--N 1.354 0.782 0 C-N-CA 130.789 3.636 . . . . 16.57 118.38 -153.405 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 83.46 54.0 3.25 Favored Glycine 0 C--N 1.36 1.861 0 C-N-CA 129.748 3.547 . . . . 15.41 113.298 -178.305 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -75.97 -45.76 33.19 Favored 'General case' 0 C--N 1.366 1.305 0 C-N-CA 127.098 2.159 . . . . 14.050000000000001 115.695 -175.345 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 36.3 mp0 -97.77 47.1 1.01 Allowed 'General case' 0 N--CA 1.446 -0.659 0 C-N-CA 129.012 2.925 . . . . 14.869999999999999 110.867 -178.376 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 139.83 99.81 0.44 Allowed Glycine 0 C--N 1.359 1.828 0 N-CA-C 106.568 -2.613 . . . . 15.93 106.568 -178.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 70.2 m80 -91.92 -40.7 0.37 Allowed Pre-proline 0 C--N 1.364 1.2 0 C-N-CA 126.373 1.869 . . . . 18.370000000000001 112.895 179.392 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo . . . . . 0 C--O 1.263 1.771 0 CA-C-N 124.821 2.758 . . . . 17.68 111.17 172.901 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.492 0 N-CA-C 112.089 0.403 . . . . 17.23 112.089 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.5 m -139.71 -20.48 0.91 Allowed 'General case' 0 C--N 1.362 1.113 0 C-N-CA 125.168 1.387 . . . . 16.920000000000002 107.828 179.486 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -155.11 113.58 3.52 Favored 'General case' 0 C--N 1.359 1.006 0 N-CA-C 104.374 -2.454 . . . . 17.010000000000002 104.374 178.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.31 -136.33 4.11 Favored Glycine 0 C--N 1.355 1.588 0 N-CA-C 105.985 -2.846 . . . . 15.789999999999999 105.985 -177.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . 0.262 16.3 mt -117.62 -54.66 0.04 OUTLIER Pre-proline 0 C--N 1.362 1.129 0 CA-C-O 116.573 -1.68 . . . . 16.199999999999999 109.255 175.18 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -83.5 95.54 0.78 Allowed 'Trans proline' 0 C--N 1.367 1.519 0 C-N-CA 124.15 3.234 . . . . 14.32 109.849 169.339 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -107.09 -134.93 0.35 Allowed 'General case' 0 C--N 1.361 1.081 0 C-N-CA 126.012 1.725 . . . . 15.539999999999999 109.179 -176.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.5 tppt? -151.69 -59.64 0.16 Allowed 'General case' 0 C--N 1.356 0.877 0 N-CA-C 105.724 -1.954 . . . . 17.260000000000002 105.724 -171.506 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.5 tppt? -153.06 63.23 0.77 Allowed 'General case' 0 C--N 1.359 0.991 0 N-CA-C 105.564 -2.013 . . . . 14.380000000000001 105.564 -172.466 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.01 -41.98 0.1 Allowed 'General case' 0 C--N 1.357 0.927 0 N-CA-C 106.165 -1.791 . . . . 13.85 106.165 -179.081 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -125.09 18.79 8.39 Favored 'General case' 0 C--N 1.363 1.169 0 C-N-CA 125.314 1.446 . . . . 13.210000000000001 107.779 168.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 17.6 ttp180 42.76 85.12 0.02 OUTLIER 'General case' 0 C--N 1.369 1.434 1 C-N-CA 132.17 4.188 . . . . 10.609999999999999 119.148 172.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 13.9 mmm180 -97.13 158.48 15.42 Favored 'General case' 0 C--N 1.36 1.036 0 C-N-CA 124.966 1.306 . . . . 8.1999999999999993 111.305 -176.221 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.329 11.6 t -112.9 20.93 6.39 Favored 'Isoleucine or valine' 0 C--N 1.363 1.181 0 C-N-CA 130.192 3.397 . . . . 4.5700000000000003 109.028 -159.594 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -76.63 106.25 8.18 Favored 'General case' 0 N--CA 1.466 0.375 0 C-N-CA 129.205 3.002 . . . . 5.2400000000000002 113.356 -172.505 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -105.02 151.52 23.85 Favored 'General case' 0 C--N 1.365 1.275 0 C-N-CA 126.413 1.885 . . . . 1.6399999999999999 112.032 -170.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 30.1 m -114.31 -168.38 1.35 Allowed 'General case' 0 C--N 1.364 1.227 0 C-N-CA 126.942 2.097 . . . . 1.3100000000000001 106.72 163.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.14 -11.85 60.17 Favored 'General case' 0 C--N 1.367 1.354 0 C-N-CA 127.028 2.131 . . . . 3.73 116.608 -168.076 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -80.22 -36.17 35.13 Favored 'General case' 0 C--N 1.365 1.278 0 C-N-CA 126.536 1.935 . . . . 1.1299999999999999 112.584 172.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 45.6 mm-40 -77.44 -42.96 34.08 Favored 'General case' 0 C--N 1.368 1.38 0 C-N-CA 127.879 2.472 . . . . 0.85999999999999999 111.111 -173.409 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 82.0 p -70.41 -35.17 73.28 Favored 'General case' 0 C--N 1.371 1.513 0 C-N-CA 127.181 2.193 . . . . 1.1200000000000001 112.447 178.535 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -62.79 -50.84 69.43 Favored 'General case' 0 C--N 1.372 1.562 0 C-N-CA 128.906 2.882 . . . . 1.22 112.959 177.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -74.04 -37.49 64.3 Favored 'General case' 0 C--N 1.359 0.982 0 C-N-CA 125.905 1.682 . . . . 1.3100000000000001 115.377 -175.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 80.6 mt -67.85 -44.58 76.84 Favored 'General case' 0 C--N 1.368 1.389 0 C-N-CA 126.104 1.761 . . . . 1.0900000000000001 114.255 177.183 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -68.29 -30.32 69.3 Favored 'General case' 0 C--N 1.364 1.213 0 C-N-CA 126.36 1.864 . . . . 1.6599999999999999 114.784 173.466 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . 0.312 3.6 ptm180 -72.14 -49.2 37.77 Favored 'General case' 0 C--N 1.373 1.6 0 N-CA-C 116.228 1.936 . . . . 2.54 116.228 -179.664 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.489 0.0 OUTLIER -86.0 13.05 8.16 Favored 'General case' 0 C--N 1.378 1.81 0 N-CA-C 115.282 1.586 . . . . 2.54 115.282 169.85 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -84.75 -40.29 17.45 Favored 'General case' 0 C--N 1.381 1.975 0 N-CA-C 115.656 1.725 . . . . 0.82999999999999996 115.656 152.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 26.4 mmt-85 -82.46 -32.59 28.84 Favored 'General case' 0 C--N 1.367 1.359 0 CA-C-N 120.288 1.404 . . . . 4.5700000000000003 114.48 -170.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -96.95 -7.69 32.54 Favored 'General case' 0 C--N 1.367 1.35 0 C-N-CA 124.884 1.274 . . . . 2.5299999999999998 112.428 -179.277 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -168.42 152.79 6.05 Favored 'General case' 0 C--N 1.363 1.164 0 N-CA-C 105.541 -2.022 . . . . 2.04 105.541 -176.376 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 89.5 mtt-85 -104.21 -33.09 8.82 Favored 'General case' 0 C--N 1.361 1.072 0 C-N-CA 124.73 1.212 . . . . 4.25 108.87 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 33.6 p90 -105.87 137.89 42.99 Favored 'General case' 0 N--CA 1.441 -0.921 0 C-N-CA 127.701 2.401 . . . . 5.9000000000000004 108.281 176.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -149.81 112.76 4.84 Favored 'General case' 0 CA--C 1.502 -0.903 1 N-CA-C 98.793 -4.521 . . . . 1.28 98.793 -173.562 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 27.3 p -91.57 170.65 9.76 Favored 'General case' 0 C--N 1.372 1.551 0 C-N-CA 126.81 2.044 . . . . 2.04 108.574 -163.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.91 -37.77 44.57 Favored Pre-proline 0 C--N 1.366 1.298 0 N-CA-C 119.466 3.136 . . . . 1.23 119.466 -172.308 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_exo -68.9 -18.93 40.94 Favored 'Trans proline' 0 C--N 1.361 1.226 0 C-N-CA 124.607 3.538 . . . . 1.3899999999999999 115.844 170.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -110.81 -25.63 9.78 Favored 'General case' 0 C--N 1.362 1.151 0 C-N-CA 126.584 1.954 . . . . 1.72 115.72 177.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 38.0 ttm180 -79.85 -41.45 26.29 Favored 'General case' 0 C--N 1.372 1.579 0 C-N-CA 128.546 2.738 . . . . 3.04 110.417 178.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -84.35 -22.66 30.48 Favored 'General case' 0 C--N 1.371 1.535 0 C-N-CA 126.064 1.746 . . . . 1.8600000000000001 112.412 -177.221 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 47.5 t-80 -85.06 -22.66 28.88 Favored 'General case' 0 C--N 1.365 1.27 0 C-N-CA 127.905 2.482 . . . . 2.0099999999999998 111.194 177.547 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -70.55 -37.71 74.07 Favored 'General case' 0 C--N 1.366 1.304 0 C-N-CA 129.277 3.031 . . . . 1.1899999999999999 112.092 168.433 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -77.22 -27.41 53.43 Favored 'General case' 0 C--N 1.362 1.137 0 C-N-CA 128.089 2.556 . . . . 1.0700000000000001 113.746 176.344 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 60.0 m -85.23 -30.93 23.45 Favored 'General case' 0 C--N 1.36 1.057 0 C-N-CA 125.454 1.502 . . . . 1.03 113.893 175.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 39.8 tp -78.77 -33.61 46.25 Favored 'General case' 0 C--N 1.362 1.15 0 C-N-CA 126.926 2.09 . . . . 2.3500000000000001 112.271 179.171 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -100.3 -21.41 5.13 Favored 'Isoleucine or valine' 0 C--N 1.367 1.353 0 C-N-CA 124.335 1.054 . . . . 1.0900000000000001 111.173 -176.666 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 21.1 tpt180 91.5 60.43 0.0 OUTLIER 'General case' 0 C--N 1.373 1.597 0 C-N-CA 129.25 3.02 . . . . 3.6099999999999999 113.961 163.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 73.2 mt -131.41 -164.9 1.5 Allowed 'General case' 0 C--N 1.362 1.131 0 C-N-CA 124.103 0.961 . . . . 1.1799999999999999 109.983 178.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 70.2 p -99.16 147.17 32.9 Favored Pre-proline 0 C--N 1.369 1.429 0 C-N-CA 127.449 2.3 . . . . 1.4099999999999999 108.906 174.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -60.99 -18.85 60.08 Favored 'Trans proline' 0 C--N 1.365 1.397 1 C-N-CA 126.21 4.607 . . . . 1.0600000000000001 116.897 170.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.8 t -88.34 -28.83 20.75 Favored 'General case' 0 C--N 1.365 1.24 0 C-N-CA 127.036 2.135 . . . . 1.1299999999999999 111.29 -177.242 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -84.56 -31.51 24.34 Favored 'General case' 0 C--N 1.373 1.592 0 CA-C-N 119.938 1.245 . . . . 1.04 112.363 177.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.7 p -67.03 -41.77 87.71 Favored 'Isoleucine or valine' 0 C--N 1.383 2.055 0 C-N-CA 124.348 1.059 . . . . 1.0900000000000001 112.52 168.42 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.14 -49.12 72.6 Favored 'General case' 0 C--N 1.368 1.408 0 C-N-CA 126.876 2.07 . . . . 1.74 115.868 172.678 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.303 6.5 mt -86.88 -7.19 10.89 Favored 'Isoleucine or valine' 0 C--N 1.367 1.361 0 N-CA-C 115.496 1.665 . . . . 1.3200000000000001 115.496 -178.278 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 50.7 t90 -73.94 -41.86 61.42 Favored 'General case' 0 C--N 1.377 1.795 0 CA-C-N 119.872 1.215 . . . . 0.34000000000000002 110.884 164.278 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -82.11 -18.64 42.26 Favored 'General case' 0 C--N 1.368 1.389 0 C-N-CA 126.301 1.84 . . . . 0.46000000000000002 113.379 179.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -75.69 -36.67 59.97 Favored 'General case' 0 C--N 1.368 1.39 0 C-N-CA 127.5 2.32 . . . . 1.3400000000000001 112.55 177.186 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -88.01 -17.68 30.65 Favored 'General case' 0 C--N 1.363 1.187 0 C-N-CA 126.326 1.85 . . . . 0.85999999999999999 113.077 179.608 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -85.28 -27.04 26.25 Favored 'General case' 0 C--N 1.365 1.269 0 C-N-CA 125.981 1.712 . . . . 2.3900000000000001 114.439 -175.1 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.29 42.17 0.93 Allowed 'General case' 0 C--N 1.367 1.348 0 C-N-CA 126.624 1.969 . . . . 3.9100000000000001 114.258 -174.695 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.485 ' HB2' ' H ' ' A' ' 63' ' ' LYS 2.482 0.0 OUTLIER 134.68 115.61 0.0 OUTLIER 'General case' 0 C--N 1.368 1.396 0 N-CA-C 101.174 -3.639 . . . . 6.3799999999999999 101.174 -176.991 . . . . . . . . 4 4 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.485 ' H ' ' HB2' ' A' ' 62' ' ' TYR 2.43 5.0 mptt 143.97 -40.53 0.01 OUTLIER 'General case' 0 N--CA 1.432 -1.348 0 C-N-CA 131.592 3.957 . . . . 5.9000000000000004 103.844 -169.518 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . 0.359 7.1 p -84.52 -102.26 0.05 Allowed 'General case' 0 C--N 1.374 1.644 0 C-N-CA 127.379 2.271 . . . . 4.0999999999999996 112.862 -172.131 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -90.69 -122.34 0.07 Allowed 'General case' 0 C--N 1.371 1.52 0 C-N-CA 127.034 2.134 . . . . 8.1699999999999999 109.576 168.475 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 -154.97 148.44 25.19 Favored 'General case' 0 C--N 1.354 0.782 0 N-CA-C 108.036 -1.098 . . . . 11.25 108.036 179.344 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -100.9 101.98 12.91 Favored 'General case' 0 C--N 1.362 1.134 0 C-N-CA 126.893 2.077 . . . . 9.0999999999999996 107.098 158.31 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -102.11 96.04 6.74 Favored 'General case' 0 C--N 1.362 1.131 0 CA-C-O 123.009 1.385 . . . . 9.6899999999999995 109.893 -176.441 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.408 HD21 ' HB2' ' A' ' 73' ' ' TYR . 3.8 p-10 -120.07 63.48 0.83 Allowed 'General case' 0 N--CA 1.438 -1.026 0 C-N-CA 130.029 3.331 . . . . 12.300000000000001 105.21 176.17 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . 2.198 8.1 pt-20 -48.93 -103.39 0.0 OUTLIER 'General case' 0 C--N 1.353 0.75 1 C-N-CA 133.097 4.559 . . . . 12.73 116.825 173.687 . . . . . . . . 3 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.45 113.53 21.26 Favored 'General case' 0 C--N 1.363 1.186 0 C-N-CA 125.591 1.556 . . . . 16.57 110.261 169.484 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 156.89 -69.32 0.28 Allowed Glycine 0 CA--C 1.487 -1.714 0 N-CA-C 103.592 -3.803 . . . . 15.41 103.592 -166.41 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.408 ' HB2' HD21 ' A' ' 69' ' ' ASN . 17.4 m-85 -86.41 -62.17 1.57 Allowed 'General case' 0 C--N 1.354 0.781 0 C-N-CA 128.908 2.883 . . . . 14.050000000000001 114.957 -177.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -94.16 65.32 3.37 Favored 'General case' 0 C--N 1.35 0.596 0 C-N-CA 129.473 3.109 . . . . 14.869999999999999 109.909 178.465 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 134.38 -163.56 24.63 Favored Glycine 0 C--N 1.354 1.544 0 N-CA-C 107.37 -2.292 . . . . 15.93 107.37 -178.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 75.1 m80 -110.53 137.71 20.78 Favored Pre-proline 0 C--N 1.361 1.086 0 C-N-CA 125.848 1.659 . . . . 18.370000000000001 107.059 179.154 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo . . . . . 0 C--O 1.261 1.637 0 C-N-CA 124.154 3.236 . . . . 17.68 110.296 -173.965 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.335 0 N-CA-C 109.559 -0.534 . . . . 17.23 109.559 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.6 p -108.4 18.42 21.01 Favored 'General case' 0 C--N 1.364 1.225 0 C-N-CA 126.218 1.807 . . . . 16.920000000000002 109.829 177.167 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -140.59 -42.73 0.4 Allowed 'General case' 0 C--N 1.364 1.197 0 C-N-CA 124.86 1.264 . . . . 17.010000000000002 108.788 -177.492 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.03 93.81 0.42 Allowed Glycine 0 C--N 1.365 2.184 0 CA-C-N 118.404 0.547 . . . . 15.789999999999999 112.308 -176.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.6 pp -176.03 157.64 1.73 Allowed Pre-proline 0 C--N 1.367 1.333 0 N-CA-C 104.38 -2.452 . . . . 16.199999999999999 104.38 161.079 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -85.29 116.79 1.77 Allowed 'Trans proline' 0 C--N 1.362 1.252 0 CA-C-N 124.68 2.707 . . . . 14.32 110.72 177.218 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -152.0 -120.27 0.04 OUTLIER 'General case' 0 C--N 1.358 0.971 0 N-CA-C 103.846 -2.65 . . . . 15.539999999999999 103.846 175.678 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -146.02 138.18 25.26 Favored 'General case' 0 C--N 1.36 1.03 0 N-CA-C 104.504 -2.406 . . . . 17.260000000000002 104.504 176.706 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.513 ' HG3' HD21 ' A' ' 59' ' ' ASN . 91.4 mttt -106.43 82.67 1.76 Allowed 'General case' 0 C--N 1.364 1.211 0 C-N-CA 125.981 1.712 . . . . 14.380000000000001 108.796 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 71.9 mtm180 -131.04 -47.51 1.01 Allowed 'General case' 0 C--N 1.357 0.899 0 N-CA-C 104.312 -2.477 . . . . 13.85 104.312 175.037 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.406 ' HZ3' ' HB2' ' A' ' 11' ' ' LYS 2.283 0.0 OUTLIER -83.39 -47.29 11.6 Favored 'General case' 0 C--N 1.368 1.406 0 C-N-CA 130.107 3.363 . . . . 13.210000000000001 110.364 173.559 . . . . . . . . 4 4 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 34.8 mtp-105 -81.58 78.85 8.28 Favored 'General case' 0 C--N 1.368 1.401 0 C-N-CA 129.88 3.272 . . . . 10.609999999999999 112.699 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.7 mmm180 -105.18 167.4 9.75 Favored 'General case' 0 N--CA 1.435 -1.203 0 C-N-CA 126.522 1.929 . . . . 8.1999999999999993 107.546 176.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.4 m -133.4 153.09 36.52 Favored 'Isoleucine or valine' 0 CA--C 1.492 -1.287 0 C-N-CA 128.155 2.582 . . . . 4.5700000000000003 104.331 -169.515 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.2 mt -113.24 84.28 1.98 Allowed 'General case' 0 C--N 1.362 1.112 0 CA-C-O 122.751 1.262 . . . . 5.2400000000000002 108.723 -172.371 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 18.2 m-30 -105.55 154.98 19.64 Favored 'General case' 0 N--CA 1.437 -1.088 0 C-N-CA 130.578 3.551 . . . . 1.6399999999999999 109.159 -176.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.0 m -94.56 -177.95 4.4 Favored 'General case' 0 C--N 1.373 1.595 0 C-N-CA 126.479 1.912 . . . . 1.3100000000000001 110.764 -179.104 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.8 3.27 14.67 Favored 'General case' 0 C--N 1.37 1.458 0 C-N-CA 127.369 2.268 . . . . 3.73 116.604 -167.683 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.2 -49.08 8.51 Favored 'General case' 0 C--N 1.362 1.11 0 C-N-CA 126.362 1.865 . . . . 1.1299999999999999 111.723 162.43 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 52.1 mm-40 -75.96 -44.18 41.14 Favored 'General case' 0 C--N 1.367 1.348 0 C-N-CA 128.281 2.632 . . . . 0.85999999999999999 112.653 -170.146 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 60.0 p -75.18 -29.01 60.27 Favored 'General case' 0 C--N 1.37 1.489 0 C-N-CA 127.416 2.286 . . . . 1.1200000000000001 112.021 -178.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -66.14 -49.87 65.95 Favored 'General case' 0 C--N 1.368 1.403 0 C-N-CA 128.338 2.655 . . . . 1.22 112.374 176.472 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 -72.92 -36.84 67.34 Favored 'General case' 0 C--N 1.362 1.15 0 N-CA-C 115.37 1.618 . . . . 1.3100000000000001 115.37 -177.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 96.3 mt -70.47 -41.8 72.27 Favored 'General case' 0 C--N 1.362 1.131 0 C-N-CA 125.545 1.538 . . . . 1.0900000000000001 114.916 178.397 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -71.57 -32.59 68.26 Favored 'General case' 0 C--N 1.363 1.178 0 C-N-CA 125.998 1.719 . . . . 1.6599999999999999 115.054 174.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.9 ptm180 -75.78 -41.16 53.73 Favored 'General case' 0 C--N 1.373 1.609 0 N-CA-C 114.706 1.373 . . . . 2.54 114.706 -177.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.515 1.7 ptm180 -86.31 5.41 34.71 Favored 'General case' 0 C--N 1.368 1.371 0 N-CA-C 115.426 1.639 . . . . 2.54 115.426 170.765 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -82.5 -38.68 23.52 Favored 'General case' 0 C--N 1.376 1.741 0 C-N-CA 126.258 1.823 . . . . 0.82999999999999996 114.568 155.409 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 35.0 mmt-85 -78.33 -38.24 42.63 Favored 'General case' 0 C--N 1.369 1.425 0 C-N-CA 125.785 1.634 . . . . 4.5700000000000003 113.288 -174.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 66.9 tp60 -90.09 -25.0 20.98 Favored 'General case' 0 N--CA 1.434 -1.245 0 C-N-CA 127.758 2.423 . . . . 2.5299999999999998 112.439 -174.093 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -157.39 152.08 25.4 Favored 'General case' 0 C--N 1.365 1.259 0 N-CA-C 108.235 -1.024 . . . . 2.04 108.235 -173.058 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 78.5 mtt-85 -105.82 -37.24 6.76 Favored 'General case' 0 C--N 1.36 1.054 0 C-N-CA 126.509 1.924 . . . . 4.25 112.704 -179.355 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -86.41 -20.2 28.55 Favored 'General case' 0 C--N 1.36 1.04 0 C-N-CA 128.374 2.67 . . . . 5.9000000000000004 115.627 -144.01 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . 0.384 0.0 OUTLIER -33.92 104.21 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.823 1 C-N-CA 132.743 4.417 . . . . 1.28 115.667 -167.961 . . . . . . . . 4 3 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 27.5 p -94.01 169.49 10.23 Favored 'General case' 0 C--N 1.366 1.284 0 C-N-CA 128.923 2.889 . . . . 2.04 109.225 -167.488 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -46.78 -36.2 6.57 Favored Pre-proline 0 C--N 1.367 1.352 0 N-CA-C 120.745 3.609 . . . . 1.23 120.745 -173.579 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -67.1 -30.57 38.28 Favored 'Trans proline' 0 C--N 1.359 1.098 0 C-N-CA 124.283 3.322 . . . . 1.3899999999999999 115.138 173.208 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -104.54 -22.07 13.33 Favored 'General case' 0 C--N 1.363 1.177 0 C-N-CA 126.421 1.888 . . . . 1.72 114.925 178.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 58.1 ttp85 -80.79 -37.08 30.87 Favored 'General case' 0 C--N 1.375 1.703 0 C-N-CA 126.791 2.036 . . . . 3.04 110.926 179.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -82.52 -21.56 35.37 Favored 'General case' 0 C--N 1.373 1.623 0 C-N-CA 126.165 1.786 . . . . 1.8600000000000001 112.787 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 45.0 t-80 -81.58 -25.35 35.84 Favored 'General case' 0 C--N 1.364 1.236 0 C-N-CA 128.183 2.593 . . . . 2.0099999999999998 111.108 176.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -71.75 -36.83 70.55 Favored 'General case' 0 C--N 1.367 1.369 0 C-N-CA 128.827 2.851 . . . . 1.1899999999999999 112.636 169.294 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -77.35 -26.53 52.08 Favored 'General case' 0 C--N 1.362 1.142 0 C-N-CA 127.566 2.346 . . . . 1.0700000000000001 113.628 178.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 64.2 m -85.15 -28.69 25.35 Favored 'General case' 0 C--N 1.361 1.077 0 C-N-CA 126.155 1.782 . . . . 1.03 113.227 173.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 45.4 tp -77.4 -35.93 53.84 Favored 'General case' 0 C--N 1.363 1.195 0 C-N-CA 127.261 2.224 . . . . 2.3500000000000001 112.496 177.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.4 pt -101.45 -21.64 5.05 Favored 'Isoleucine or valine' 0 C--N 1.367 1.343 0 C-N-CA 124.327 1.051 . . . . 1.0900000000000001 111.476 -175.483 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 23.8 tpt180 83.2 66.15 0.02 OUTLIER 'General case' 0 C--N 1.372 1.553 0 C-N-CA 128.875 2.87 . . . . 3.6099999999999999 113.954 172.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 76.1 mt -136.0 -173.06 3.28 Favored 'General case' 0 C--N 1.36 1.041 0 N-CA-C 108.161 -1.052 . . . . 1.1799999999999999 108.161 172.577 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 61.9 p -90.21 146.25 34.42 Favored Pre-proline 0 C--N 1.372 1.549 0 C-N-CA 126.584 1.953 . . . . 1.4099999999999999 109.428 178.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -58.31 -22.39 57.51 Favored 'Trans proline' 0 C--N 1.363 1.311 1 C-N-CA 126.384 4.722 . . . . 1.0600000000000001 117.341 171.097 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.8 t -89.32 -28.27 19.96 Favored 'General case' 0 C--N 1.366 1.287 0 C-N-CA 125.553 1.541 . . . . 1.1299999999999999 111.354 -176.044 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -82.37 -31.7 29.61 Favored 'General case' 0 C--N 1.372 1.583 0 CA-C-N 119.662 1.119 . . . . 1.04 112.231 177.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.1 p -70.69 -42.88 77.81 Favored 'Isoleucine or valine' 0 C--N 1.378 1.839 0 C-N-CA 124.775 1.23 . . . . 1.0900000000000001 113.167 171.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -55.92 -49.73 72.66 Favored 'General case' 0 C--N 1.377 1.793 0 C-N-CA 127.613 2.365 . . . . 1.74 114.53 174.06 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.273 7.4 mt -88.52 -6.4 10.74 Favored 'Isoleucine or valine' 0 C--N 1.363 1.168 0 N-CA-C 114.378 1.251 . . . . 1.3200000000000001 114.378 -176.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 33.2 t90 -75.37 -42.14 54.72 Favored 'General case' 0 C--N 1.381 1.955 0 C-N-CA 125.685 1.594 . . . . 0.34000000000000002 110.821 167.22 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -82.35 -14.09 55.86 Favored 'General case' 0 C--N 1.368 1.409 0 C-N-CA 126.812 2.045 . . . . 0.46000000000000002 113.398 -179.024 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -76.98 -43.14 36.11 Favored 'General case' 0 C--N 1.36 1.061 0 C-N-CA 127.635 2.374 . . . . 1.3400000000000001 111.85 171.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.513 HD21 ' HG3' ' A' ' 9' ' ' LYS . 72.0 m-20 -94.58 -15.82 23.75 Favored 'General case' 0 C--N 1.362 1.136 0 C-N-CA 126.629 1.972 . . . . 0.85999999999999999 114.151 -168.166 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 9.0 m80 -78.74 -30.37 45.79 Favored 'General case' 0 C--N 1.362 1.149 0 C-N-CA 126.07 1.748 . . . . 2.3900000000000001 113.629 172.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 16.4 ptm180 -86.74 46.22 1.34 Allowed 'General case' 0 C--N 1.362 1.126 0 C-N-CA 127.599 2.36 . . . . 3.9100000000000001 114.741 170.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.434 ' HB3' ' H ' ' A' ' 63' ' ' LYS . 0.1 OUTLIER -113.04 -109.58 0.35 Allowed 'General case' 0 C--N 1.377 1.804 0 CA-C-N 121.061 1.755 . . . . 6.3799999999999999 110.902 -170.906 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.434 ' H ' ' HB3' ' A' ' 62' ' ' TYR . 3.8 mppt? -142.97 70.08 1.32 Allowed 'General case' 0 N--CA 1.437 -1.077 1 C-N-CA 131.865 4.066 . . . . 5.9000000000000004 100.655 -178.931 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -106.25 104.76 14.53 Favored 'General case' 0 N--CA 1.426 -1.648 0 C-N-CA 131.348 3.859 . . . . 4.0999999999999996 102.549 -171.385 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 26.0 pttm -71.41 42.47 0.08 Allowed 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 131.483 3.913 . . . . 8.1699999999999999 115.948 176.203 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 56.9 ttp180 -110.17 150.76 28.18 Favored 'General case' 0 C--N 1.359 1.012 0 C-N-CA 127.15 2.18 . . . . 11.25 106.765 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -87.72 86.95 7.24 Favored 'General case' 0 C--N 1.367 1.369 0 C-N-CA 125.912 1.685 . . . . 9.0999999999999996 111.424 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -105.73 102.94 12.35 Favored 'General case' 0 N--CA 1.444 -0.74 0 C-N-CA 127.419 2.288 . . . . 9.6899999999999995 107.257 171.254 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -142.68 73.14 1.39 Allowed 'General case' 0 CA--C 1.488 -1.423 0 N-CA-C 104.772 -2.307 . . . . 12.300000000000001 104.772 178.585 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -78.71 136.06 37.32 Favored 'General case' 0 C--N 1.365 1.269 0 CA-C-N 110.975 -2.83 . . . . 12.73 106.929 144.066 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -72.0 128.39 35.56 Favored 'General case' 0 C--N 1.344 0.361 0 C-N-CA 128.053 2.541 . . . . 16.57 115.614 -154.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 80.1 58.31 2.82 Favored Glycine 0 C--N 1.357 1.705 1 C-N-CA 131.58 4.419 . . . . 15.41 113.65 -179.382 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -151.33 124.28 8.65 Favored 'General case' 0 N--CA 1.419 -2.007 0 N-CA-C 100.783 -3.784 . . . . 14.050000000000001 100.783 176.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -100.64 66.0 1.19 Allowed 'General case' 0 N--CA 1.445 -0.699 0 C-N-CA 130.891 3.677 . . . . 14.869999999999999 108.954 -178.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 157.93 -151.24 22.39 Favored Glycine 0 C--N 1.352 1.459 0 N-CA-C 105.914 -2.874 . . . . 15.93 105.914 -176.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 13.3 p80 -114.89 105.11 53.6 Favored Pre-proline 0 C--N 1.361 1.074 0 C-N-CA 125.491 1.516 . . . . 18.370000000000001 108.444 179.461 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo . . . . . 0 C--O 1.263 1.742 0 C-N-CA 123.543 2.829 . . . . 17.68 109.423 -177.351 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.6 0.238 . . . . 17.23 110.46 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.6 p -121.01 19.86 11.59 Favored 'General case' 0 C--N 1.362 1.131 0 C-N-CA 126.187 1.795 . . . . 16.920000000000002 107.984 -179.581 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -152.01 139.4 19.48 Favored 'General case' 0 C--N 1.36 1.057 0 N-CA-C 104.481 -2.415 . . . . 17.010000000000002 104.481 178.546 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 119.42 -123.65 5.72 Favored Glycine 0 C--N 1.36 1.891 0 N-CA-C 106.228 -2.749 . . . . 15.789999999999999 106.228 -173.312 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 20.6 mt -127.23 71.56 76.41 Favored Pre-proline 0 C--N 1.365 1.248 0 C-N-CA 125.064 1.346 . . . . 16.199999999999999 110.611 169.542 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -86.34 155.97 9.44 Favored 'Trans proline' 0 C--N 1.36 1.182 0 C-N-CA 124.342 3.361 . . . . 14.32 110.216 163.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 52.4 t30 -129.78 -103.11 0.3 Allowed 'General case' 0 C--N 1.361 1.077 0 N-CA-C 105.937 -1.875 . . . . 15.539999999999999 105.937 177.036 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.4 mtmp? -120.63 123.84 43.79 Favored 'General case' 0 C--N 1.361 1.108 0 N-CA-C 105.666 -1.975 . . . . 17.260000000000002 105.666 -179.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -101.39 154.2 19.01 Favored 'General case' 0 C--N 1.361 1.1 0 C-N-CA 125.625 1.57 . . . . 14.380000000000001 110.783 -172.214 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.2 -11.82 15.93 Favored 'General case' 0 C--N 1.362 1.121 0 C-N-CA 127.226 2.211 . . . . 13.85 108.874 -175.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 54.8 pttt -104.34 -174.23 2.49 Favored 'General case' 0 C--N 1.363 1.153 0 C-N-CA 127.357 2.263 . . . . 13.210000000000001 109.318 -176.289 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.43 17.41 1.38 Allowed 'General case' 0 C--N 1.368 1.395 0 C-N-CA 129.995 3.318 . . . . 10.609999999999999 114.579 -173.111 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . 1.876 0.5 OUTLIER -43.16 -111.43 0.0 OUTLIER 'General case' 0 C--N 1.366 1.292 2 C-N-CA 132.412 4.285 . . . . 8.1999999999999993 121.918 -172.863 . . . . . . . . 4 3 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.4 m -88.12 136.06 24.1 Favored 'Isoleucine or valine' 0 C--N 1.35 0.598 0 C-N-CA 129.113 2.965 . . . . 4.5700000000000003 111.146 -172.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -153.29 122.54 6.61 Favored 'General case' 0 N--CA 1.443 -0.8 0 N-CA-C 103.194 -2.891 . . . . 5.2400000000000002 103.194 176.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.445 ' HB3' ' HB2' ' A' ' 20' ' ' GLN . 49.0 m-85 -88.57 149.28 23.67 Favored 'General case' 0 C--N 1.36 1.05 0 C-N-CA 127.525 2.33 . . . . 1.6399999999999999 113.753 -165.286 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 29.3 m -110.77 -174.34 2.45 Favored 'General case' 0 C--N 1.369 1.451 0 C-N-CA 127.0 2.12 . . . . 1.3100000000000001 108.458 -178.077 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 68.1 mttt -83.38 15.98 2.75 Favored 'General case' 0 C--N 1.372 1.549 0 C-N-CA 126.543 1.937 . . . . 3.73 115.809 -163.647 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.47 -51.11 6.75 Favored 'General case' 0 C--N 1.361 1.09 0 C-N-CA 125.982 1.713 . . . . 1.1299999999999999 111.94 153.609 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.445 ' HB2' ' HB3' ' A' ' 16' ' ' PHE . 39.2 mm-40 -79.41 -49.67 11.99 Favored 'General case' 0 C--N 1.368 1.405 0 C-N-CA 128.734 2.814 . . . . 0.85999999999999999 111.926 -167.72 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 79.7 p -64.14 -36.68 84.82 Favored 'General case' 0 C--N 1.375 1.71 0 C-N-CA 128.301 2.64 . . . . 1.1200000000000001 112.295 177.297 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 53.1 t80 -59.84 -59.08 6.01 Favored 'General case' 0 C--N 1.369 1.452 0 C-N-CA 129.02 2.928 . . . . 1.22 112.804 177.517 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -68.11 -34.27 76.08 Favored 'General case' 0 C--N 1.368 1.383 0 N-CA-C 115.404 1.631 . . . . 1.3100000000000001 115.404 -175.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 97.7 mt -67.85 -37.74 82.25 Favored 'General case' 0 C--N 1.363 1.186 0 C-N-CA 127.026 2.131 . . . . 1.0900000000000001 115.868 175.302 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -76.53 -27.42 55.95 Favored 'General case' 0 C--N 1.359 1.007 0 C-N-CA 126.57 1.948 . . . . 1.6599999999999999 114.404 177.08 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.7 mtm180 -71.56 -43.58 66.07 Favored 'General case' 0 C--N 1.372 1.576 0 C-N-CA 123.985 0.914 . . . . 2.54 112.247 175.423 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.314 26.8 mmm-85 -71.53 -22.94 61.71 Favored 'General case' 0 C--N 1.383 2.042 0 N-CA-C 112.568 0.581 . . . . 2.54 112.568 176.619 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 31.0 t80 -70.23 -28.93 65.65 Favored 'General case' 0 C--N 1.376 1.747 0 C-N-CA 128.09 2.556 . . . . 0.82999999999999996 113.991 171.521 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 35.5 mmt-85 -79.89 -21.19 44.29 Favored 'General case' 0 C--N 1.367 1.367 0 C-N-CA 124.956 1.302 . . . . 4.5700000000000003 113.409 178.489 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 64.4 tp60 -93.12 -30.66 15.14 Favored 'General case' 0 N--CA 1.429 -1.5 0 C-N-CA 127.57 2.348 . . . . 2.5299999999999998 112.04 176.317 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -172.58 -179.06 2.08 Favored 'General case' 0 C--N 1.372 1.573 0 CA-C-O 123.085 1.421 . . . . 2.04 109.755 -175.135 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -106.37 -53.56 2.61 Favored 'General case' 0 N--CA 1.438 -1.045 0 C-N-CA 128.838 2.855 . . . . 4.25 109.73 -171.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -121.68 141.02 51.56 Favored 'General case' 0 CA--C 1.498 -1.034 0 C-N-CA 127.353 2.261 . . . . 5.9000000000000004 106.862 -175.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -140.58 124.14 16.99 Favored 'General case' 0 N--CA 1.437 -1.083 0 N-CA-C 102.846 -3.02 . . . . 1.28 102.846 -168.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 9.2 m -82.47 160.27 22.72 Favored 'General case' 0 C--N 1.366 1.301 0 C-N-CA 127.248 2.219 . . . . 2.04 111.566 -173.364 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.65 -36.39 12.33 Favored Pre-proline 0 C--N 1.367 1.357 0 N-CA-C 120.965 3.691 . . . . 1.23 120.965 -168.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_exo -67.76 -28.19 37.06 Favored 'Trans proline' 0 C--N 1.36 1.14 0 C-N-CA 124.147 3.232 . . . . 1.3899999999999999 114.986 175.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.28 0.9 OUTLIER -105.19 -21.55 13.24 Favored 'General case' 0 C--N 1.361 1.077 0 C-N-CA 126.797 2.039 . . . . 1.72 115.042 177.314 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 42.3 ttp180 -77.01 -41.62 41.99 Favored 'General case' 0 C--N 1.375 1.706 0 C-N-CA 126.849 2.06 . . . . 3.04 112.753 177.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -81.85 -20.79 38.24 Favored 'General case' 0 C--N 1.363 1.176 0 C-N-CA 126.982 2.113 . . . . 1.8600000000000001 112.274 -177.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 45.2 t-80 -81.74 -27.84 33.65 Favored 'General case' 0 C--N 1.365 1.277 0 C-N-CA 128.498 2.719 . . . . 2.0099999999999998 111.705 176.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -64.01 -53.47 49.55 Favored 'General case' 0 C--N 1.371 1.526 0 C-N-CA 129.016 2.926 . . . . 1.1899999999999999 111.49 170.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.31 -28.61 69.83 Favored 'General case' 0 C--N 1.356 0.878 0 C-N-CA 130.232 3.413 . . . . 1.0700000000000001 116.487 176.46 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 74.6 m -83.87 -26.99 28.98 Favored 'General case' 0 C--N 1.361 1.073 0 C-N-CA 125.737 1.615 . . . . 1.03 112.964 174.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 33.0 tp -78.41 -35.54 46.94 Favored 'General case' 0 C--N 1.361 1.085 0 C-N-CA 126.948 2.099 . . . . 2.3500000000000001 112.966 175.194 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.2 pt -106.26 -1.71 9.94 Favored 'Isoleucine or valine' 0 C--N 1.368 1.387 0 C-N-CA 125.087 1.355 . . . . 1.0900000000000001 112.258 -174.263 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 81.07 42.13 0.05 OUTLIER 'General case' 0 C--N 1.371 1.533 0 C-N-CA 128.991 2.917 . . . . 3.6099999999999999 115.675 162.089 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 96.8 mt -124.36 -172.4 2.54 Favored 'General case' 0 C--N 1.357 0.909 0 O-C-N 121.31 -0.869 . . . . 1.1799999999999999 109.953 -175.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.408 HG23 ' H ' ' A' ' 51' ' ' THR . 68.9 p -95.75 147.47 33.05 Favored Pre-proline 0 C--N 1.365 1.262 0 C-N-CA 127.624 2.37 . . . . 1.4099999999999999 108.633 179.447 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_exo -58.64 -23.53 66.02 Favored 'Trans proline' 0 C--N 1.363 1.295 1 C-N-CA 126.462 4.775 . . . . 1.0600000000000001 117.104 170.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.408 ' H ' HG23 ' A' ' 49' ' ' THR . 12.2 t -89.43 -30.17 18.52 Favored 'General case' 0 C--N 1.365 1.266 0 C-N-CA 125.898 1.679 . . . . 1.1299999999999999 111.343 -175.355 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -79.35 -34.4 42.16 Favored 'General case' 0 C--N 1.375 1.682 0 CA-C-N 119.727 1.149 . . . . 1.04 111.968 178.048 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 11.5 p -67.37 -46.21 84.14 Favored 'Isoleucine or valine' 0 C--N 1.381 1.952 0 C-N-CA 125.293 1.437 . . . . 1.0900000000000001 113.157 172.426 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.08 -43.76 95.26 Favored 'General case' 0 C--N 1.375 1.679 0 C-N-CA 126.02 1.728 . . . . 1.74 115.084 177.815 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.273 9.0 mt -85.05 -6.21 10.23 Favored 'Isoleucine or valine' 0 C--N 1.368 1.393 0 N-CA-C 114.941 1.46 . . . . 1.3200000000000001 114.941 177.081 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 47.1 t90 -71.74 -41.98 67.82 Favored 'General case' 0 C--N 1.381 1.949 0 C-N-CA 125.283 1.433 . . . . 0.34000000000000002 110.777 164.44 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -81.49 -17.12 49.74 Favored 'General case' 0 C--N 1.369 1.453 0 C-N-CA 126.273 1.829 . . . . 0.46000000000000002 114.272 -179.675 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -77.33 -37.03 53.32 Favored 'General case' 0 C--N 1.362 1.14 0 C-N-CA 127.278 2.231 . . . . 1.3400000000000001 111.648 174.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 64.0 m-20 -90.7 -21.58 21.55 Favored 'General case' 0 C--N 1.364 1.213 0 C-N-CA 126.438 1.895 . . . . 0.85999999999999999 113.458 -176.212 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -84.26 -18.6 35.91 Favored 'General case' 0 C--N 1.367 1.334 0 C-N-CA 125.767 1.627 . . . . 2.3900000000000001 114.926 -175.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.34 72.57 8.05 Favored 'General case' 0 C--N 1.363 1.19 0 C-N-CA 126.703 2.001 . . . . 3.9100000000000001 106.414 151.336 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -161.71 54.19 0.25 Allowed 'General case' 0 N--CA 1.443 -0.796 0 C-N-CA 128.187 2.595 . . . . 6.3799999999999999 114.361 41.017 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.8 mtpt -104.15 64.1 0.77 Allowed 'General case' 0 C--N 1.352 0.71 0 N-CA-C 103.296 -2.854 . . . . 5.9000000000000004 103.296 157.474 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 6.9 m -56.7 -11.02 1.17 Allowed 'General case' 0 C--N 1.367 1.34 1 C-N-CA 136.27 5.828 . . . . 4.0999999999999996 118.774 -158.786 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.494 ' HZ3' HD22 ' A' ' 69' ' ' ASN . 52.5 mtmt -86.77 -107.19 0.06 Allowed 'General case' 0 C--N 1.365 1.259 0 C-N-CA 128.406 2.683 . . . . 8.1699999999999999 111.719 -169.445 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 30.5 ptt180 -154.61 -35.66 0.1 Allowed 'General case' 0 C--N 1.356 0.884 0 N-CA-C 106.647 -1.612 . . . . 11.25 106.647 -178.637 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -100.3 124.78 46.18 Favored 'General case' 0 C--N 1.36 1.056 0 C-N-CA 128.4 2.68 . . . . 9.0999999999999996 107.3 179.03 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -105.19 89.69 3.21 Favored 'General case' 0 C--N 1.359 0.988 0 CA-C-O 123.334 1.54 . . . . 9.6899999999999995 109.636 -173.293 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.494 HD22 ' HZ3' ' A' ' 65' ' ' LYS 0.287 2.6 p-10 -111.91 52.61 0.75 Allowed 'General case' 0 CA--C 1.497 -1.081 0 C-N-CA 130.344 3.458 . . . . 12.300000000000001 111.711 -176.107 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -51.18 130.28 26.03 Favored 'General case' 0 C--N 1.368 1.374 0 C-N-CA 128.289 2.636 . . . . 12.73 115.591 134.188 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -88.66 145.39 25.69 Favored 'General case' 0 C--N 1.355 0.833 1 C-N-CA 133.089 4.555 . . . . 16.57 110.278 -10.841 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 88.15 56.46 2.05 Favored Glycine 0 C--N 1.365 2.153 0 C-N-CA 127.216 2.341 . . . . 15.41 113.171 178.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . 0.338 48.4 p90 -75.48 -55.01 6.1 Favored 'General case' 0 C--N 1.369 1.422 0 N-CA-C 116.086 1.884 . . . . 14.050000000000001 116.086 -173.46 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -91.05 57.47 3.47 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 129.302 3.041 . . . . 14.869999999999999 111.196 168.311 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -173.96 -131.84 1.46 Allowed Glycine 0 C--N 1.356 1.658 0 N-CA-C 105.344 -3.102 . . . . 15.93 105.344 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 63.3 t-80 -118.09 113.32 37.52 Favored Pre-proline 0 C--N 1.362 1.143 0 N-CA-C 106.682 -1.599 . . . . 18.370000000000001 106.682 178.041 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo . . . . . 0 C--O 1.262 1.712 0 C-N-CA 123.498 2.799 . . . . 17.68 109.041 177.522 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.458 0 CA-C-O 120.271 0.082 . . . . 17.23 110.99 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.9 m -115.55 -30.05 6.3 Favored 'General case' 0 C--N 1.363 1.179 0 C-N-CA 125.514 1.526 . . . . 16.920000000000002 108.72 177.488 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -151.12 67.04 0.91 Allowed 'General case' 0 C--N 1.358 0.953 0 N-CA-C 107.267 -1.383 . . . . 17.010000000000002 107.267 178.291 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.91 -151.57 6.36 Favored Glycine 0 C--N 1.358 1.783 0 N-CA-C 108.604 -1.798 . . . . 15.789999999999999 108.604 177.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 25.3 mt -126.81 87.18 57.13 Favored Pre-proline 0 C--N 1.359 1.017 0 C-N-CA 126.118 1.767 . . . . 16.199999999999999 106.496 -179.515 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -93.58 60.02 0.4 Allowed 'Trans proline' 0 C--N 1.365 1.442 0 CA-C-N 125.28 2.921 . . . . 14.32 111.229 -167.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -143.84 -83.75 0.16 Allowed 'General case' 0 C--N 1.36 1.026 0 N-CA-C 102.651 -3.092 . . . . 15.539999999999999 102.651 172.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? -126.32 156.92 39.66 Favored 'General case' 0 C--N 1.362 1.147 0 N-CA-C 105.254 -2.128 . . . . 17.260000000000002 105.254 175.581 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -106.89 89.51 3.03 Favored 'General case' 0 C--N 1.363 1.174 0 C-N-CA 125.778 1.631 . . . . 14.380000000000001 108.97 -177.049 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 40.5 mmt180 73.2 42.32 0.44 Allowed 'General case' 0 C--N 1.367 1.344 0 C-N-CA 128.57 2.748 . . . . 13.85 114.18 173.439 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 58.8 mtmt -127.5 -58.95 1.24 Allowed 'General case' 0 C--N 1.361 1.068 0 N-CA-C 106.836 -1.542 . . . . 13.210000000000001 106.836 -179.333 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.1 153.47 43.59 Favored 'General case' 0 C--N 1.368 1.394 0 C-N-CA 128.831 2.852 . . . . 10.609999999999999 115.516 -179.721 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.4 mmm180 -82.84 141.85 31.96 Favored 'General case' 0 C--N 1.367 1.34 0 C-N-CA 127.39 2.276 . . . . 8.1999999999999993 112.417 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.3 m -131.96 132.7 61.39 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.32 0 C-N-CA 127.922 2.489 . . . . 4.5700000000000003 105.053 -165.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.405 ' HB3' ' HD1' ' A' ' 76' ' ' HIS . 5.0 mp -139.63 113.27 8.53 Favored 'General case' 0 N--CA 1.439 -1.022 0 N-CA-C 105.28 -2.118 . . . . 5.2400000000000002 105.28 -176.774 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 12.8 m-30 -82.23 135.45 35.25 Favored 'General case' 0 C--N 1.365 1.247 0 C-N-CA 128.858 2.863 . . . . 1.6399999999999999 110.332 179.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 17.1 m -99.87 -169.14 1.7 Allowed 'General case' 0 C--N 1.365 1.249 0 C-N-CA 126.1 1.76 . . . . 1.3100000000000001 109.168 -177.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 50.8 pttt -78.48 -0.62 30.14 Favored 'General case' 0 C--N 1.367 1.364 0 C-N-CA 126.928 2.091 . . . . 3.73 116.148 -170.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.95 -43.32 14.13 Favored 'General case' 0 C--N 1.363 1.163 0 C-N-CA 126.596 1.959 . . . . 1.1299999999999999 112.133 165.639 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 49.7 mm-40 -73.42 -48.35 34.51 Favored 'General case' 0 C--N 1.367 1.338 0 C-N-CA 129.144 2.978 . . . . 0.85999999999999999 113.07 -174.41 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 69.5 p -72.16 -30.88 65.43 Favored 'General case' 0 C--N 1.372 1.544 0 C-N-CA 127.781 2.432 . . . . 1.1200000000000001 111.93 -178.286 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -60.78 -59.27 5.65 Favored 'General case' 0 C--N 1.373 1.604 0 C-N-CA 128.694 2.798 . . . . 1.22 112.227 173.105 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -67.93 -35.37 78.31 Favored 'General case' 0 C--N 1.368 1.372 0 C-N-CA 126.37 1.868 . . . . 1.3100000000000001 114.861 -174.002 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 89.9 mt -69.99 -43.34 71.65 Favored 'General case' 0 C--N 1.363 1.157 0 C-N-CA 125.906 1.682 . . . . 1.0900000000000001 114.452 177.539 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -71.32 -32.41 68.56 Favored 'General case' 0 C--N 1.364 1.213 0 N-CA-C 115.785 1.772 . . . . 1.6599999999999999 115.785 174.072 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . 0.26 0.0 OUTLIER -78.66 -37.18 42.55 Favored 'General case' 0 C--N 1.371 1.517 0 C-N-CA 124.814 1.245 . . . . 2.54 114.073 -174.267 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.541 3.3 ptm180 -86.28 5.21 35.55 Favored 'General case' 0 C--N 1.365 1.277 0 N-CA-C 117.188 2.292 . . . . 2.54 117.188 164.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 23.4 t80 -83.89 -40.52 18.51 Favored 'General case' 0 C--N 1.372 1.569 0 CA-C-N 120.128 1.331 . . . . 0.82999999999999996 114.467 154.403 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 13.4 mmt85 -75.95 -33.4 59.81 Favored 'General case' 0 C--N 1.368 1.407 0 C-N-CA 126.932 2.093 . . . . 4.5700000000000003 113.318 -174.104 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 65.3 tp60 -90.9 -26.5 19.3 Favored 'General case' 0 N--CA 1.433 -1.309 0 C-N-CA 127.742 2.417 . . . . 2.5299999999999998 112.246 -176.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -162.11 150.39 14.84 Favored 'General case' 0 C--N 1.366 1.306 0 N-CA-C 108.544 -0.91 . . . . 2.04 108.544 -169.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 84.0 mtt-85 -106.04 -37.63 6.56 Favored 'General case' 0 C--N 1.359 0.993 0 C-N-CA 126.656 1.983 . . . . 4.25 112.775 -178.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 2.5 p90 -82.39 -17.06 46.82 Favored 'General case' 0 C--N 1.359 0.993 0 C-N-CA 128.795 2.838 . . . . 5.9000000000000004 117.891 -150.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . 0.391 0.0 OUTLIER -34.32 103.95 0.03 OUTLIER 'General case' 0 N--CA 1.501 2.122 1 C-N-CA 132.767 4.427 . . . . 1.28 115.137 -178.247 . . . . . . . . 4 3 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 25.4 p -109.79 170.59 7.97 Favored 'General case' 0 C--N 1.363 1.167 0 C-N-CA 127.956 2.502 . . . . 2.04 107.497 -167.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . 0.256 . . -37.06 -41.46 0.75 Allowed Pre-proline 0 C--N 1.368 1.396 1 N-CA-C 122.077 4.103 . . . . 1.23 122.077 -169.567 . . . . . . . . 3 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -67.81 -29.27 35.52 Favored 'Trans proline' 0 C--N 1.36 1.134 0 C-N-CA 124.258 3.305 . . . . 1.3899999999999999 115.081 175.486 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -105.45 -26.82 11.77 Favored 'General case' 0 C--N 1.361 1.068 0 C-N-CA 126.952 2.101 . . . . 1.72 114.965 178.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 44.4 ttp180 -76.51 -39.8 51.98 Favored 'General case' 0 C--N 1.374 1.649 0 C-N-CA 127.476 2.311 . . . . 3.04 112.447 179.54 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -85.08 -20.09 30.91 Favored 'General case' 0 C--N 1.367 1.337 0 C-N-CA 124.879 1.271 . . . . 1.8600000000000001 112.209 -178.413 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 46.2 t-80 -78.11 -24.33 47.53 Favored 'General case' 0 C--N 1.369 1.442 0 C-N-CA 128.177 2.591 . . . . 2.0099999999999998 112.281 173.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.69 -51.21 66.08 Favored 'General case' 0 C--N 1.371 1.517 0 C-N-CA 129.095 2.958 . . . . 1.1899999999999999 112.234 168.446 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.48 -31.29 71.26 Favored 'General case' 0 C--N 1.358 0.943 0 C-N-CA 128.575 2.75 . . . . 1.0700000000000001 115.875 175.021 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 46.1 m -81.84 -28.95 32.8 Favored 'General case' 0 C--N 1.362 1.141 0 C-N-CA 125.517 1.527 . . . . 1.03 114.086 174.502 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -79.31 -36.46 39.56 Favored 'General case' 0 C--N 1.362 1.117 0 C-N-CA 127.719 2.407 . . . . 2.3500000000000001 112.01 179.43 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.8 pt -99.8 -12.51 8.41 Favored 'Isoleucine or valine' 0 C--N 1.367 1.328 0 C-N-CA 125.175 1.39 . . . . 1.0900000000000001 111.684 -175.253 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 15.1 tpp180 84.73 43.59 0.02 OUTLIER 'General case' 0 C--N 1.373 1.609 0 C-N-CA 128.498 2.719 . . . . 3.6099999999999999 113.657 165.273 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 77.7 mt -125.16 -173.31 2.78 Favored 'General case' 0 C--N 1.359 0.997 0 C-N-CA 125.076 1.351 . . . . 1.1799999999999999 108.542 178.299 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.4 HG23 ' H ' ' A' ' 51' ' ' THR . 70.2 p -89.59 143.01 29.87 Favored Pre-proline 0 C--N 1.366 1.294 0 C-N-CA 126.889 2.076 . . . . 1.4099999999999999 109.949 -178.413 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_exo -60.25 -20.73 63.67 Favored 'Trans proline' 0 C--N 1.362 1.288 1 C-N-CA 126.231 4.621 . . . . 1.0600000000000001 116.419 171.456 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.4 ' H ' HG23 ' A' ' 49' ' ' THR . 13.8 t -86.65 -27.44 23.8 Favored 'General case' 0 C--N 1.366 1.293 0 C-N-CA 127.198 2.199 . . . . 1.1299999999999999 111.115 -178.537 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -84.17 -33.65 24.16 Favored 'General case' 0 C--N 1.374 1.633 0 CA-C-N 119.656 1.116 . . . . 1.04 112.785 179.17 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.3 p -66.64 -38.97 82.7 Favored 'Isoleucine or valine' 0 C--N 1.378 1.823 0 C-N-CA 125.192 1.397 . . . . 1.0900000000000001 112.928 168.156 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.2 mmmt -54.11 -51.62 63.61 Favored 'General case' 0 C--N 1.371 1.527 0 C-N-CA 127.263 2.225 . . . . 1.74 115.936 171.261 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.266 6.8 mt -85.96 -8.72 11.17 Favored 'Isoleucine or valine' 0 C--N 1.367 1.342 0 N-CA-C 114.958 1.466 . . . . 1.3200000000000001 114.958 -178.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.479 ' HE1' ' HB3' ' A' ' 74' ' ' GLU . 39.2 t90 -76.98 -41.88 41.17 Favored 'General case' 0 C--N 1.377 1.782 0 C-N-CA 125.643 1.577 . . . . 0.34000000000000002 110.625 170.604 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -81.67 -15.26 55.07 Favored 'General case' 0 C--N 1.367 1.339 0 C-N-CA 126.492 1.917 . . . . 0.46000000000000002 112.836 179.246 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -76.85 -40.06 49.07 Favored 'General case' 0 C--N 1.366 1.302 0 C-N-CA 127.806 2.442 . . . . 1.3400000000000001 112.585 172.262 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 70.7 m-20 -87.74 -15.08 38.01 Favored 'General case' 0 C--N 1.365 1.258 0 C-N-CA 126.551 1.941 . . . . 0.85999999999999999 112.796 -176.026 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 20.1 m80 -83.21 -28.5 29.22 Favored 'General case' 0 C--N 1.363 1.163 0 C-N-CA 126.178 1.791 . . . . 2.3900000000000001 114.274 172.42 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.43 36.99 0.71 Allowed 'General case' 0 C--N 1.368 1.39 0 C-N-CA 126.886 2.075 . . . . 3.9100000000000001 114.812 175.857 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -126.36 -115.91 0.27 Allowed 'General case' 0 C--N 1.367 1.36 0 O-C-N 119.809 -1.807 . . . . 6.3799999999999999 106.576 -153.214 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 9.6 ptmm? -134.58 60.79 1.69 Allowed 'General case' 0 C--N 1.339 0.135 0 C-N-CA 127.632 2.373 . . . . 5.9000000000000004 107.528 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -90.03 -11.98 39.89 Favored 'General case' 0 C--N 1.365 1.245 0 C-N-CA 127.433 2.293 . . . . 4.0999999999999996 116.313 -156.759 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 60.6 pttt -90.27 63.04 5.6 Favored 'General case' 0 C--N 1.368 1.377 0 C-N-CA 128.003 2.521 . . . . 8.1699999999999999 111.206 178.58 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 33.1 ptt180 -134.71 -46.43 0.74 Allowed 'General case' 0 C--N 1.354 0.789 0 C-N-CA 127.072 2.149 . . . . 11.25 105.339 177.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -100.69 98.16 8.74 Favored 'General case' 0 C--N 1.365 1.263 0 C-N-CA 126.359 1.864 . . . . 9.0999999999999996 107.552 163.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -105.13 91.93 4.0 Favored 'General case' 0 C--N 1.36 1.035 0 C-N-CA 125.438 1.495 . . . . 9.6899999999999995 109.549 -175.184 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -164.33 77.0 0.34 Allowed 'General case' 0 N--CA 1.435 -1.211 0 N-CA-C 102.916 -2.994 . . . . 12.300000000000001 102.916 -178.276 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . 0.385 1.8 pp20? -49.21 -70.7 0.08 Allowed 'General case' 0 C--N 1.364 1.233 0 N-CA-C 119.376 3.102 . . . . 12.73 119.376 -170.552 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -110.67 126.27 54.34 Favored 'General case' 0 C--N 1.373 1.624 0 CA-C-N 122.474 2.397 . . . . 16.57 108.214 173.43 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 137.05 -46.5 1.01 Allowed Glycine 0 C--N 1.36 1.889 0 N-CA-C 109.371 -1.492 . . . . 15.41 109.371 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 17.5 t80 -67.22 -20.08 65.64 Favored 'General case' 0 C--N 1.37 1.488 0 C-N-CA 128.985 2.914 . . . . 14.050000000000001 115.541 177.497 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.479 ' HB3' ' HE1' ' A' ' 56' ' ' TRP . 57.1 mm-40 -121.34 46.4 2.06 Favored 'General case' 0 N--CA 1.438 -1.053 0 C-N-CA 130.455 3.502 . . . . 14.869999999999999 106.759 -179.021 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -144.1 -97.23 0.23 Allowed Glycine 0 C--N 1.356 1.67 0 N-CA-C 105.47 -3.052 . . . . 15.93 105.47 -174.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.405 ' HD1' ' HB3' ' A' ' 15' ' ' LEU . 97.3 m-70 -104.67 127.42 28.93 Favored Pre-proline 0 C--N 1.364 1.21 0 C-N-CA 126.15 1.78 . . . . 18.370000000000001 107.672 173.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo . . . . . 0 C--O 1.26 1.594 0 CA-C-N 122.353 1.876 . . . . 17.68 110.676 -8.092 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . 2.438 . . . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.452 0.167 . . . . 17.23 110.729 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.5 p -102.68 -27.0 12.98 Favored 'General case' 0 C--N 1.368 1.393 0 C-N-CA 126.792 2.037 . . . . 16.920000000000002 109.052 -179.01 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -163.48 64.29 0.17 Allowed 'General case' 0 C--N 1.357 0.899 0 N-CA-C 104.306 -2.479 . . . . 17.010000000000002 104.306 178.118 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.59 166.96 30.31 Favored Glycine 0 C--N 1.356 1.673 0 N-CA-C 105.578 -3.009 . . . . 15.789999999999999 105.578 -178.586 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.3 pp -154.21 166.48 15.76 Favored Pre-proline 0 C--N 1.357 0.915 0 N-CA-C 106.445 -1.687 . . . . 16.199999999999999 106.445 -172.009 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -80.68 138.41 11.92 Favored 'Trans proline' 0 C--N 1.365 1.44 0 C-N-CA 123.56 2.84 . . . . 14.32 111.969 -178.097 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -134.74 -159.28 0.95 Allowed 'General case' 0 C--N 1.36 1.03 0 N-CA-C 105.312 -2.107 . . . . 15.539999999999999 105.312 179.062 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -105.97 -2.65 22.62 Favored 'General case' 0 C--N 1.362 1.136 0 C-N-CA 126.386 1.875 . . . . 17.260000000000002 109.734 177.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -114.29 -114.12 0.33 Allowed 'General case' 0 C--N 1.364 1.235 0 C-N-CA 126.561 1.944 . . . . 14.380000000000001 106.281 176.086 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 24.4 tpt180 -159.64 130.61 5.89 Favored 'General case' 0 C--N 1.359 1.007 0 N-CA-C 106.787 -1.56 . . . . 13.85 106.787 179.479 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 60.3 tttm -136.82 -11.44 1.77 Allowed 'General case' 0 C--N 1.357 0.905 0 C-N-CA 126.316 1.846 . . . . 13.210000000000001 106.126 171.519 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . 2.227 0.0 OUTLIER -41.58 -35.66 0.78 Allowed 'General case' 0 C--N 1.367 1.362 1 C-N-CA 134.749 5.22 . . . . 10.609999999999999 119.756 179.772 . . . . . . . . 4 3 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 29.7 mmt85 -87.93 171.11 10.57 Favored 'General case' 0 C--N 1.368 1.384 0 C-N-CA 128.268 2.627 . . . . 8.1999999999999993 110.44 -174.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 2.116 4.1 m -67.35 179.74 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.375 1.712 0 C-N-CA 129.693 3.197 . . . . 4.5700000000000003 114.606 -154.797 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 179.28 86.26 0.01 OUTLIER 'General case' 0 N--CA 1.437 -1.113 0 N-CA-C 104.997 -2.223 . . . . 5.2400000000000002 104.997 -163.156 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 44.2 m-85 -105.25 150.25 25.29 Favored 'General case' 0 N--CA 1.434 -1.269 0 C-N-CA 126.385 1.874 . . . . 1.6399999999999999 110.562 -179.164 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 16.9 m -102.63 -175.94 2.96 Favored 'General case' 0 C--N 1.369 1.418 0 C-N-CA 126.879 2.072 . . . . 1.3100000000000001 108.969 179.457 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.462 ' HZ3' ' HD2' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -76.88 0.85 19.38 Favored 'General case' 0 C--N 1.368 1.38 0 N-CA-C 117.061 2.245 . . . . 3.73 117.061 -166.355 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.1 -47.17 10.44 Favored 'General case' 0 C--N 1.36 1.042 0 C-N-CA 126.141 1.776 . . . . 1.1299999999999999 111.648 163.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 42.8 mm-40 -78.48 -43.18 27.67 Favored 'General case' 0 C--N 1.368 1.412 0 C-N-CA 127.679 2.391 . . . . 0.85999999999999999 111.952 -170.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 54.1 p -70.56 -32.39 69.79 Favored 'General case' 0 C--N 1.374 1.666 0 C-N-CA 126.965 2.106 . . . . 1.1200000000000001 112.792 177.059 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -64.74 -49.63 70.06 Favored 'General case' 0 C--N 1.369 1.437 0 C-N-CA 127.789 2.436 . . . . 1.22 112.672 177.077 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -73.99 -35.59 64.45 Favored 'General case' 0 C--N 1.363 1.193 0 N-CA-C 115.482 1.66 . . . . 1.3100000000000001 115.482 -177.099 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 87.5 mt -69.77 -43.35 72.37 Favored 'General case' 0 C--N 1.364 1.214 0 C-N-CA 126.289 1.835 . . . . 1.0900000000000001 114.566 177.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -69.42 -32.68 71.81 Favored 'General case' 0 C--N 1.363 1.179 0 C-N-CA 125.961 1.704 . . . . 1.6599999999999999 114.77 174.094 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.6 ptm180 -80.14 -25.23 39.96 Favored 'General case' 0 C--N 1.372 1.571 0 N-CA-C 115.499 1.666 . . . . 2.54 115.499 -177.383 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.261 40.5 mmm-85 -74.75 -29.72 61.24 Favored 'General case' 0 C--N 1.368 1.404 0 CA-C-O 118.325 -0.845 . . . . 2.54 112.358 164.699 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -66.35 -40.08 89.6 Favored 'General case' 0 C--N 1.379 1.87 0 C-N-CA 126.48 1.912 . . . . 0.82999999999999996 113.655 -178.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.39 -16.05 61.85 Favored 'General case' 0 C--N 1.367 1.359 0 C-N-CA 126.614 1.966 . . . . 4.5700000000000003 114.404 177.777 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 59.7 mm-40 -98.35 -32.69 11.39 Favored 'General case' 0 C--N 1.366 1.312 0 C-N-CA 126.099 1.76 . . . . 2.5299999999999998 113.118 175.483 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -166.67 150.44 7.1 Favored 'General case' 0 C--N 1.367 1.347 0 N-CA-C 105.93 -1.878 . . . . 2.04 105.93 -170.021 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 74.2 mmt-85 -100.13 -34.11 10.18 Favored 'General case' 0 C--N 1.359 1.013 0 C-N-CA 125.042 1.337 . . . . 4.25 109.902 -174.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 49.3 m-85 -122.5 140.35 52.85 Favored 'General case' 0 C--N 1.357 0.931 0 C-N-CA 126.395 1.878 . . . . 5.9000000000000004 106.716 177.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -144.93 121.35 10.98 Favored 'General case' 0 CA--C 1.501 -0.937 0 N-CA-C 102.634 -3.098 . . . . 1.28 102.634 -171.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 28.8 p -89.64 165.37 14.27 Favored 'General case' 0 C--N 1.366 1.309 0 C-N-CA 127.443 2.297 . . . . 2.04 110.361 -170.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.09 -35.8 9.09 Favored Pre-proline 0 C--N 1.366 1.317 0 N-CA-C 120.785 3.624 . . . . 1.23 120.785 -170.258 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_exo -67.45 -31.37 34.45 Favored 'Trans proline' 0 C--N 1.36 1.158 0 C-N-CA 124.279 3.319 . . . . 1.3899999999999999 115.025 174.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -102.83 -20.58 14.25 Favored 'General case' 0 C--N 1.362 1.121 0 C-N-CA 126.482 1.913 . . . . 1.72 114.66 177.442 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 42.5 ttp180 -80.11 -42.0 24.41 Favored 'General case' 0 C--N 1.374 1.667 0 C-N-CA 126.481 1.912 . . . . 3.04 111.72 -179.176 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -80.41 -20.73 43.29 Favored 'General case' 0 C--N 1.367 1.368 0 C-N-CA 126.995 2.118 . . . . 1.8600000000000001 112.083 -178.42 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 47.2 t-80 -80.6 -28.3 37.13 Favored 'General case' 0 C--N 1.367 1.33 0 C-N-CA 128.139 2.576 . . . . 2.0099999999999998 111.661 175.533 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -74.89 -30.74 61.39 Favored 'General case' 0 C--N 1.368 1.395 0 C-N-CA 128.226 2.61 . . . . 1.1899999999999999 112.149 172.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.21 -26.39 35.96 Favored 'General case' 0 C--N 1.364 1.238 0 C-N-CA 127.738 2.415 . . . . 1.0700000000000001 113.011 176.559 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 68.5 m -85.14 -27.42 26.22 Favored 'General case' 0 C--N 1.36 1.052 0 C-N-CA 125.848 1.659 . . . . 1.03 113.063 174.247 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -75.65 -38.67 58.64 Favored 'General case' 0 C--N 1.363 1.177 0 C-N-CA 127.909 2.484 . . . . 2.3500000000000001 112.112 177.455 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.4 pt -103.95 -17.75 7.09 Favored 'Isoleucine or valine' 0 C--N 1.367 1.356 0 C-N-CA 123.888 0.875 . . . . 1.0900000000000001 112.0 -175.044 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 21.3 tpt180 88.18 63.05 0.01 OUTLIER 'General case' 0 C--N 1.371 1.541 0 C-N-CA 129.263 3.025 . . . . 3.6099999999999999 114.375 167.18 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 95.8 mt -135.11 -170.5 2.59 Favored 'General case' 0 C--N 1.363 1.154 0 C-N-CA 124.319 1.047 . . . . 1.1799999999999999 109.811 178.278 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 71.5 p -96.37 147.39 32.88 Favored Pre-proline 0 C--N 1.37 1.487 0 C-N-CA 127.642 2.377 . . . . 1.4099999999999999 108.864 177.09 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -59.47 -19.7 53.06 Favored 'Trans proline' 0 C--N 1.365 1.419 1 C-N-CA 126.416 4.744 . . . . 1.0600000000000001 117.201 171.446 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.6 t -88.86 -31.71 18.15 Favored 'General case' 0 C--N 1.365 1.253 0 C-N-CA 126.427 1.891 . . . . 1.1299999999999999 111.315 -175.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -82.57 -31.01 29.25 Favored 'General case' 0 C--N 1.372 1.563 0 CA-C-N 119.762 1.164 . . . . 1.04 112.156 178.47 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 8.2 p -68.58 -42.44 83.5 Favored 'Isoleucine or valine' 0 C--N 1.381 1.97 0 C-N-CA 124.509 1.123 . . . . 1.0900000000000001 112.538 170.148 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.75 -47.42 73.88 Favored 'General case' 0 C--N 1.37 1.47 0 C-N-CA 126.993 2.117 . . . . 1.74 116.081 172.849 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.288 5.5 mt -86.93 -8.21 11.02 Favored 'Isoleucine or valine' 0 C--N 1.367 1.338 0 N-CA-C 115.11 1.522 . . . . 1.3200000000000001 115.11 -179.839 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 44.9 t90 -72.83 -41.63 64.65 Favored 'General case' 0 C--N 1.378 1.843 0 C-N-CA 125.164 1.385 . . . . 0.34000000000000002 111.226 166.43 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -83.02 -14.43 53.96 Favored 'General case' 0 C--N 1.367 1.35 0 C-N-CA 126.115 1.766 . . . . 0.46000000000000002 113.767 -179.488 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -78.08 -38.2 44.77 Favored 'General case' 0 C--N 1.361 1.071 0 C-N-CA 127.658 2.383 . . . . 1.3400000000000001 112.303 174.104 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -89.89 -18.48 26.08 Favored 'General case' 0 C--N 1.367 1.335 0 C-N-CA 126.201 1.8 . . . . 0.85999999999999999 113.397 -177.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 10.6 m80 -81.61 -26.09 35.17 Favored 'General case' 0 C--N 1.364 1.225 0 C-N-CA 126.397 1.879 . . . . 2.3900000000000001 115.192 176.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.27 38.82 0.79 Allowed 'General case' 0 C--N 1.368 1.375 0 C-N-CA 126.982 2.113 . . . . 3.9100000000000001 114.645 177.368 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.419 ' HB3' ' H ' ' A' ' 63' ' ' LYS . 0.1 OUTLIER -130.5 -113.32 0.25 Allowed 'General case' 0 C--N 1.367 1.352 0 O-C-N 120.063 -1.648 . . . . 6.3799999999999999 108.091 -154.708 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.419 ' H ' ' HB3' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -141.77 77.1 1.57 Allowed 'General case' 0 N--CA 1.443 -0.809 0 N-CA-C 101.856 -3.387 . . . . 5.9000000000000004 101.856 -179.334 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -100.33 103.19 14.59 Favored 'General case' 0 N--CA 1.423 -1.798 1 C-N-CA 132.701 4.4 . . . . 4.0999999999999996 104.714 -169.611 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 26.1 pttm -80.85 26.61 0.41 Allowed 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 131.692 3.997 . . . . 8.1699999999999999 114.521 168.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -115.49 157.01 24.65 Favored 'General case' 0 C--N 1.363 1.159 0 C-N-CA 126.891 2.077 . . . . 11.25 107.275 -175.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -89.37 108.61 19.73 Favored 'General case' 0 C--N 1.365 1.242 0 C-N-CA 127.455 2.302 . . . . 9.0999999999999996 109.972 177.245 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -100.72 93.34 5.52 Favored 'General case' 0 C--N 1.362 1.129 0 C-N-CA 127.289 2.236 . . . . 9.6899999999999995 106.429 -178.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 18.1 t30 -151.0 71.98 1.05 Allowed 'General case' 0 N--CA 1.44 -0.965 0 N-CA-C 104.101 -2.555 . . . . 12.300000000000001 104.101 -161.19 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -48.19 -48.04 35.01 Favored 'General case' 0 C--N 1.359 1.007 1 N-CA-C 121.854 4.02 . . . . 12.73 121.854 -166.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -108.86 125.89 52.47 Favored 'General case' 0 C--N 1.372 1.575 0 CA-C-N 122.544 2.429 . . . . 16.57 108.137 165.404 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 127.11 -34.65 3.04 Favored Glycine 0 C--N 1.359 1.826 0 C-N-CA 124.765 1.174 . . . . 15.41 112.174 172.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -67.92 -27.35 66.56 Favored 'General case' 0 C--N 1.367 1.326 0 C-N-CA 128.719 2.808 . . . . 14.050000000000001 115.929 -177.583 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -118.13 35.72 4.63 Favored 'General case' 0 N--CA 1.436 -1.151 0 C-N-CA 128.666 2.786 . . . . 14.869999999999999 111.334 -176.822 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 119.28 -102.93 0.95 Allowed Glycine 0 C--N 1.358 1.751 0 N-CA-C 109.313 -1.515 . . . . 15.93 109.313 177.424 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -133.05 -62.89 0.02 OUTLIER Pre-proline 0 C--N 1.361 1.07 0 CA-C-O 116.103 -1.903 . . . . 18.370000000000001 108.086 178.221 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.462 ' HD2' ' HZ3' ' A' ' 18' ' ' LYS . 56.6 Cg_endo . . . . . 0 C--O 1.258 1.52 0 CA-C-N 125.451 2.982 . . . . 17.68 108.635 163.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.593 0.235 . . . . 17.23 110.982 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.7 m -139.6 22.05 2.52 Favored 'General case' 0 C--N 1.361 1.068 0 N-CA-C 106.582 -1.636 . . . . 16.920000000000002 106.582 177.043 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -155.92 86.85 1.05 Allowed 'General case' 0 C--N 1.361 1.079 0 N-CA-C 104.412 -2.44 . . . . 17.010000000000002 104.412 -178.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 115.54 -95.93 0.72 Allowed Glycine 0 C--N 1.36 1.868 0 N-CA-C 107.664 -2.175 . . . . 15.789999999999999 107.664 -173.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -169.77 159.18 6.9 Favored Pre-proline 0 C--N 1.361 1.1 0 N-CA-C 105.239 -2.134 . . . . 16.199999999999999 105.239 173.614 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -83.91 111.69 1.7 Allowed 'Trans proline' 0 C--N 1.363 1.29 0 C-N-CA 123.871 3.047 . . . . 14.32 109.029 160.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 5.7 p-10 -90.68 81.34 5.84 Favored 'General case' 0 C--N 1.363 1.192 0 C-N-CA 126.551 1.94 . . . . 15.539999999999999 110.467 -176.309 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 46.9 mmtm -124.08 -119.6 0.28 Allowed 'General case' 0 C--N 1.362 1.144 0 C-N-CA 126.326 1.851 . . . . 17.260000000000002 106.665 -171.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -113.5 -26.61 8.23 Favored 'General case' 0 C--N 1.363 1.159 0 C-N-CA 126.699 1.999 . . . . 14.380000000000001 108.302 178.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.0 tpm_? -135.23 135.45 40.97 Favored 'General case' 0 C--N 1.36 1.064 0 N-CA-C 105.221 -2.141 . . . . 13.85 105.221 175.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 36.4 mmtm -108.17 167.11 10.24 Favored 'General case' 0 C--N 1.361 1.085 0 C-N-CA 126.679 1.991 . . . . 13.210000000000001 107.946 -173.079 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 18.5 ptt180 -71.28 -33.74 70.02 Favored 'General case' 0 C--N 1.371 1.502 0 C-N-CA 128.022 2.529 . . . . 10.609999999999999 114.165 176.35 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.61 149.72 21.14 Favored 'General case' 0 N--CA 1.428 -1.569 0 C-N-CA 129.708 3.203 . . . . 8.1999999999999993 109.667 174.037 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -114.87 143.2 25.14 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.877 0 C-N-CA 129.143 2.977 . . . . 4.5700000000000003 107.61 -155.449 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -132.71 134.3 44.61 Favored 'General case' 0 C--N 1.359 0.993 0 N-CA-C 105.151 -2.166 . . . . 5.2400000000000002 105.151 -178.434 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 10.6 m-30 -101.68 149.14 24.44 Favored 'General case' 0 C--N 1.364 1.232 0 C-N-CA 128.307 2.643 . . . . 1.6399999999999999 108.549 -173.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 21.9 m -105.8 -171.57 1.93 Allowed 'General case' 0 C--N 1.365 1.272 0 C-N-CA 126.676 1.99 . . . . 1.3100000000000001 108.701 -178.476 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.0 mtpp -85.02 7.03 22.83 Favored 'General case' 0 C--N 1.369 1.456 0 C-N-CA 127.162 2.185 . . . . 3.73 114.162 -170.062 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.26 -46.81 10.67 Favored 'General case' 0 C--N 1.362 1.117 0 C-N-CA 126.718 2.007 . . . . 1.1299999999999999 111.976 160.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 46.7 mm-40 -73.27 -49.82 25.57 Favored 'General case' 0 C--N 1.37 1.499 0 C-N-CA 128.745 2.818 . . . . 0.85999999999999999 112.892 -171.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 73.3 p -71.52 -28.79 64.13 Favored 'General case' 0 C--N 1.367 1.363 0 C-N-CA 127.475 2.31 . . . . 1.1200000000000001 112.639 -179.294 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 50.1 t80 -66.0 -52.07 52.67 Favored 'General case' 0 C--N 1.369 1.421 0 C-N-CA 128.428 2.691 . . . . 1.22 112.782 176.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -72.07 -37.35 69.65 Favored 'General case' 0 C--N 1.362 1.115 0 N-CA-C 115.321 1.6 . . . . 1.3100000000000001 115.321 -177.501 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 93.4 mt -69.53 -42.2 74.97 Favored 'General case' 0 C--N 1.363 1.193 0 C-N-CA 126.29 1.836 . . . . 1.0900000000000001 114.464 179.125 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -72.71 -33.04 66.18 Favored 'General case' 0 C--N 1.363 1.161 0 C-N-CA 126.28 1.832 . . . . 1.6599999999999999 115.583 173.323 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.9 ptm180 -76.87 -28.91 55.6 Favored 'General case' 0 C--N 1.372 1.586 0 N-CA-C 114.961 1.467 . . . . 2.54 114.961 -176.481 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 17.5 mmt85 -76.32 -32.72 58.86 Favored 'General case' 0 C--N 1.367 1.356 0 C-N-CA 124.019 0.928 . . . . 2.54 112.584 164.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 47.4 t80 -69.67 -29.41 66.85 Favored 'General case' 0 C--N 1.371 1.543 0 CA-C-N 120.41 1.459 . . . . 0.82999999999999996 114.098 -173.015 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 13.1 mmt85 -78.34 -19.38 53.6 Favored 'General case' 0 C--N 1.364 1.236 0 C-N-CA 124.629 1.171 . . . . 4.5700000000000003 113.824 174.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 65.0 tp60 -98.43 -29.22 13.24 Favored 'General case' 0 N--CA 1.432 -1.375 0 C-N-CA 127.811 2.444 . . . . 2.5299999999999998 112.897 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -167.56 157.4 10.5 Favored 'General case' 0 C--N 1.37 1.473 0 CA-C-N 120.153 1.342 . . . . 2.04 108.421 -165.562 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.1 mmt180 -105.95 -35.74 7.2 Favored 'General case' 0 C--N 1.373 1.597 0 C-N-CA 125.159 1.384 . . . . 4.25 108.879 172.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . 1.98 0.0 OUTLIER -88.57 103.44 15.9 Favored 'General case' 0 N--CA 1.432 -1.333 1 C-N-CA 133.748 4.819 . . . . 5.9000000000000004 115.488 -164.846 . . . . . . . . 4 3 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . 0.278 0.0 OUTLIER -140.69 118.26 11.57 Favored 'General case' 0 C--N 1.363 1.157 0 N-CA-C 104.272 -2.492 . . . . 1.28 104.272 179.266 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 25.8 p -89.92 169.98 10.77 Favored 'General case' 0 C--N 1.368 1.396 0 C-N-CA 128.455 2.702 . . . . 2.04 108.996 -171.458 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.39 -35.99 18.81 Favored Pre-proline 0 C--N 1.366 1.296 0 N-CA-C 120.084 3.364 . . . . 1.23 120.084 -172.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -67.44 -26.23 40.99 Favored 'Trans proline' 0 C--N 1.36 1.159 0 C-N-CA 124.384 3.39 . . . . 1.3899999999999999 115.408 172.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -107.5 -22.91 12.37 Favored 'General case' 0 C--N 1.362 1.125 0 C-N-CA 126.296 1.838 . . . . 1.72 115.087 177.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 58.4 ttm-85 -80.19 -41.33 25.48 Favored 'General case' 0 C--N 1.376 1.728 0 CA-C-N 121.45 1.932 . . . . 3.04 111.151 179.283 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -81.14 -22.89 38.7 Favored 'General case' 0 C--N 1.371 1.538 0 C-N-CA 126.266 1.826 . . . . 1.8600000000000001 112.193 -177.144 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 21.6 t60 -82.89 -25.88 32.06 Favored 'General case' 0 C--N 1.366 1.295 0 C-N-CA 127.881 2.473 . . . . 2.0099999999999998 111.146 177.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -76.86 -28.24 55.35 Favored 'General case' 0 C--N 1.368 1.392 0 C-N-CA 128.237 2.615 . . . . 1.1899999999999999 112.216 171.294 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -80.16 -28.82 38.75 Favored 'General case' 0 C--N 1.364 1.201 0 C-N-CA 127.168 2.187 . . . . 1.0700000000000001 112.716 176.012 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 62.7 m -85.12 -26.83 26.64 Favored 'General case' 0 C--N 1.361 1.089 0 C-N-CA 126.22 1.808 . . . . 1.03 113.562 174.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -75.76 -38.91 57.92 Favored 'General case' 0 C--N 1.362 1.14 0 C-N-CA 127.529 2.332 . . . . 2.3500000000000001 112.013 177.168 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.5 pt -100.97 -21.38 5.13 Favored 'Isoleucine or valine' 0 C--N 1.365 1.279 0 C-N-CA 124.13 0.972 . . . . 1.0900000000000001 112.538 -174.273 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 9.3 tpp180 84.24 66.25 0.01 OUTLIER 'General case' 0 C--N 1.372 1.569 0 C-N-CA 129.006 2.922 . . . . 3.6099999999999999 113.472 174.306 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 70.5 mt -139.62 -172.26 3.33 Favored 'General case' 0 C--N 1.359 1.013 0 N-CA-C 107.358 -1.349 . . . . 1.1799999999999999 107.358 172.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 69.2 p -95.67 148.18 34.18 Favored Pre-proline 0 C--N 1.368 1.388 0 C-N-CA 127.294 2.238 . . . . 1.4099999999999999 108.461 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_exo -57.83 -23.36 58.41 Favored 'Trans proline' 0 C--N 1.362 1.259 1 C-N-CA 126.565 4.843 . . . . 1.0600000000000001 117.468 170.541 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.5 t -88.1 -29.11 20.86 Favored 'General case' 0 C--N 1.365 1.263 0 C-N-CA 125.789 1.635 . . . . 1.1299999999999999 111.342 -175.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -83.9 -33.36 24.76 Favored 'General case' 0 C--N 1.37 1.46 0 CA-C-N 119.406 1.003 . . . . 1.04 112.311 179.124 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.5 p -67.23 -41.6 86.91 Favored 'Isoleucine or valine' 0 C--N 1.38 1.897 0 C-N-CA 125.493 1.517 . . . . 1.0900000000000001 113.264 170.443 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.69 -49.02 77.9 Favored 'General case' 0 C--N 1.373 1.591 0 C-N-CA 128.538 2.735 . . . . 1.74 113.868 174.066 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.29 6.3 mt -84.78 -6.02 10.04 Favored 'Isoleucine or valine' 0 C--N 1.366 1.324 0 N-CA-C 115.007 1.484 . . . . 1.3200000000000001 115.007 179.518 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 28.2 t90 -73.54 -42.8 61.25 Favored 'General case' 0 C--N 1.378 1.82 0 C-N-CA 125.412 1.485 . . . . 0.34000000000000002 111.26 165.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -83.24 -14.48 53.14 Favored 'General case' 0 C--N 1.369 1.441 0 C-N-CA 126.222 1.809 . . . . 0.46000000000000002 113.514 -179.611 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -78.87 -38.89 36.61 Favored 'General case' 0 C--N 1.362 1.11 0 C-N-CA 127.469 2.308 . . . . 1.3400000000000001 112.487 175.242 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 65.7 m-20 -89.91 -24.84 21.22 Favored 'General case' 0 C--N 1.367 1.33 0 C-N-CA 125.923 1.689 . . . . 0.85999999999999999 113.647 -174.732 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 8.2 m80 -77.67 -20.81 53.1 Favored 'General case' 0 C--N 1.364 1.239 0 C-N-CA 126.31 1.844 . . . . 2.3900000000000001 115.74 -179.49 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.8 ptm180 -85.48 49.07 1.69 Allowed 'General case' 0 C--N 1.368 1.374 0 C-N-CA 126.857 2.063 . . . . 3.9100000000000001 114.901 -174.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -124.33 53.85 1.4 Allowed 'General case' 0 C--N 1.371 1.509 0 O-C-N 120.748 -1.22 . . . . 6.3799999999999999 110.07 173.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.6 ptmt 51.13 38.39 20.77 Favored 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 128.274 2.63 . . . . 5.9000000000000004 115.02 169.337 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.9 m -81.87 -11.76 58.78 Favored 'General case' 0 C--N 1.371 1.52 0 C-N-CA 126.88 2.072 . . . . 4.0999999999999996 115.684 -146.374 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -90.15 25.92 2.03 Favored 'General case' 0 C--N 1.37 1.458 0 C-N-CA 126.729 2.011 . . . . 8.1699999999999999 113.218 -175.056 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 35.1 ttm180 -142.27 144.13 33.16 Favored 'General case' 0 C--N 1.36 1.042 0 N-CA-C 105.604 -1.999 . . . . 11.25 105.604 178.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -99.9 -36.48 9.39 Favored 'General case' 0 C--N 1.363 1.182 0 C-N-CA 125.743 1.617 . . . . 9.0999999999999996 110.947 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -92.27 74.26 5.35 Favored 'General case' 0 C--N 1.367 1.368 0 CA-C-O 124.763 2.221 . . . . 9.6899999999999995 109.324 -178.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.419 HD21 ' HB2' ' A' ' 73' ' ' TYR . 0.9 OUTLIER -146.57 69.19 1.18 Allowed 'General case' 0 N--CA 1.44 -0.967 0 CA-C-N 110.421 -3.081 . . . . 12.300000000000001 104.83 -170.605 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . 0.335 1.0 OUTLIER -49.36 -76.13 0.02 OUTLIER 'General case' 0 C--N 1.36 1.025 0 C-N-CA 129.596 3.158 . . . . 12.73 118.74 -178.215 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -104.78 128.59 52.98 Favored 'General case' 0 C--N 1.371 1.525 0 CA-C-N 121.786 2.084 . . . . 16.57 108.171 172.222 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 133.99 -32.94 2.6 Favored Glycine 0 C--N 1.359 1.846 0 C-N-CA 124.745 1.164 . . . . 15.41 111.091 172.458 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.419 ' HB2' HD21 ' A' ' 69' ' ' ASN . 23.3 t80 -65.9 -24.49 66.86 Favored 'General case' 0 C--N 1.366 1.29 0 C-N-CA 130.238 3.415 . . . . 14.050000000000001 116.146 -179.4 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -116.29 37.45 3.71 Favored 'General case' 0 N--CA 1.444 -0.755 0 C-N-CA 128.125 2.57 . . . . 14.869999999999999 110.094 -172.38 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 96.22 -98.47 2.2 Favored Glycine 0 C--N 1.362 2.016 0 C-N-CA 125.811 1.672 . . . . 15.93 109.809 -178.474 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 62.4 t-80 -150.94 94.34 3.56 Favored Pre-proline 0 C--N 1.356 0.882 0 N-CA-C 105.125 -2.176 . . . . 18.370000000000001 105.125 171.428 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo . . . . . 0 C--O 1.261 1.675 0 C-N-CA 123.498 2.799 . . . . 17.68 110.777 175.33 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.269 0 CA-C-O 121.416 0.627 . . . . 17.23 110.575 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.8 t -155.65 -141.04 0.09 Allowed 'General case' 0 C--N 1.359 0.989 0 N-CA-C 104.277 -2.49 . . . . 16.920000000000002 104.277 -179.42 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -136.69 17.28 3.09 Favored 'General case' 0 C--N 1.359 1.007 0 C-N-CA 126.546 1.938 . . . . 17.010000000000002 106.088 170.263 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.2 -144.08 8.55 Favored Glycine 0 C--N 1.362 1.996 0 C-N-CA 126.969 2.223 . . . . 15.789999999999999 107.978 175.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.4 mp -126.07 105.24 25.64 Favored Pre-proline 0 C--N 1.365 1.247 0 CA-C-O 115.511 -2.185 . . . . 16.199999999999999 105.954 179.064 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -83.05 150.2 13.8 Favored 'Trans proline' 0 C--N 1.368 1.583 0 CA-C-N 126.262 3.272 . . . . 14.32 111.728 -166.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 12.5 p-10 -100.23 -22.14 15.24 Favored 'General case' 0 C--N 1.362 1.149 0 C-N-CA 126.333 1.853 . . . . 15.539999999999999 112.232 -175.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -113.34 37.94 3.03 Favored 'General case' 0 C--N 1.364 1.23 0 C-N-CA 125.65 1.58 . . . . 17.260000000000002 109.193 -178.357 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.432 ' HZ2' ' HG3' ' A' ' 11' ' ' LYS . 63.7 tttm -161.09 -48.76 0.04 OUTLIER 'General case' 0 C--N 1.357 0.914 0 N-CA-C 105.695 -1.965 . . . . 14.380000000000001 105.695 179.11 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.279 23.4 mmt85 88.56 -45.79 0.03 OUTLIER 'General case' 0 C--N 1.369 1.42 0 C-N-CA 129.272 3.029 . . . . 13.85 113.102 177.662 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.432 ' HG3' ' HZ2' ' A' ' 9' ' ' LYS . 18.0 ptpt -94.27 141.98 27.94 Favored 'General case' 0 C--N 1.361 1.109 0 C-N-CA 126.876 2.071 . . . . 13.210000000000001 110.534 -176.145 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . 0.328 8.4 ptm180 49.23 127.65 0.0 OUTLIER 'General case' 0 C--N 1.364 1.203 1 C-N-CA 132.923 4.489 . . . . 10.609999999999999 119.274 176.148 . . . . . . . . 3 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 49.6 mmm-85 -98.3 167.93 10.54 Favored 'General case' 0 C--N 1.369 1.433 0 C-N-CA 129.425 3.09 . . . . 8.1999999999999993 110.112 14.349 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.307 4.0 t -104.59 18.34 4.86 Favored 'Isoleucine or valine' 0 C--N 1.364 1.217 0 C-N-CA 130.002 3.321 . . . . 4.5700000000000003 110.098 -160.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.7 mp -84.62 100.07 11.19 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 129.53 3.132 . . . . 5.2400000000000002 110.641 -172.11 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -87.3 151.47 23.09 Favored 'General case' 0 C--N 1.365 1.245 0 C-N-CA 127.952 2.501 . . . . 1.6399999999999999 115.369 -166.09 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 27.4 m -112.1 -169.98 1.57 Allowed 'General case' 0 C--N 1.368 1.383 0 C-N-CA 127.37 2.268 . . . . 1.3100000000000001 107.512 170.076 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 50.2 pttt -81.21 -1.15 43.65 Favored 'General case' 0 C--N 1.369 1.428 0 C-N-CA 126.807 2.043 . . . . 3.73 115.927 -169.356 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -81.46 -41.48 21.75 Favored 'General case' 0 C--N 1.364 1.217 0 C-N-CA 126.482 1.913 . . . . 1.1299999999999999 112.07 166.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 37.2 mm-40 -77.33 -45.67 25.4 Favored 'General case' 0 C--N 1.365 1.259 0 C-N-CA 128.181 2.592 . . . . 0.85999999999999999 112.64 -169.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 76.1 p -69.17 -36.64 77.58 Favored 'General case' 0 C--N 1.371 1.504 0 C-N-CA 127.208 2.203 . . . . 1.1200000000000001 111.953 -179.256 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -60.7 -53.59 55.62 Favored 'General case' 0 C--N 1.367 1.367 0 C-N-CA 130.374 3.47 . . . . 1.22 113.487 177.348 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -72.46 -37.55 68.49 Favored 'General case' 0 C--N 1.364 1.209 0 C-N-CA 126.18 1.792 . . . . 1.3100000000000001 115.315 -176.143 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 92.9 mt -68.1 -40.74 82.51 Favored 'General case' 0 C--N 1.365 1.25 0 C-N-CA 126.478 1.911 . . . . 1.0900000000000001 114.75 177.211 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -70.37 -33.73 71.78 Favored 'General case' 0 C--N 1.363 1.186 0 C-N-CA 126.332 1.853 . . . . 1.6599999999999999 115.08 174.148 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.7 ptp180 -76.24 -33.13 59.18 Favored 'General case' 0 C--N 1.371 1.513 0 N-CA-C 116.155 1.909 . . . . 2.54 116.155 -178.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.269 2.3 mmm180 -75.9 -21.25 57.31 Favored 'General case' 0 C--N 1.371 1.538 0 N-CA-C 113.201 0.815 . . . . 2.54 113.201 166.071 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -75.41 -23.05 56.98 Favored 'General case' 0 C--N 1.371 1.508 0 CA-C-N 120.671 1.578 . . . . 0.82999999999999996 114.678 174.083 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 36.0 mmt-85 -86.06 -40.18 16.02 Favored 'General case' 0 C--N 1.364 1.23 0 C-N-CA 125.776 1.63 . . . . 4.5700000000000003 113.408 177.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 66.8 tp60 -86.03 -21.34 27.8 Favored 'General case' 0 C--N 1.368 1.388 0 C-N-CA 128.202 2.601 . . . . 2.5299999999999998 112.773 -177.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.3 mm100 -134.22 -176.17 4.11 Favored 'General case' 0 C--N 1.362 1.12 0 N-CA-C 106.678 -1.601 . . . . 2.04 106.678 -177.51 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 28.0 mtp85 -106.11 -58.11 1.96 Allowed 'General case' 0 C--N 1.36 1.023 0 C-N-CA 126.376 1.87 . . . . 4.25 111.396 146.468 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 47.7 p90 -121.62 148.73 44.16 Favored 'General case' 0 N--CA 1.44 -0.937 0 C-N-CA 129.374 3.07 . . . . 5.9000000000000004 108.574 -157.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -152.16 120.53 6.37 Favored 'General case' 0 N--CA 1.441 -0.92 0 N-CA-C 103.904 -2.628 . . . . 1.28 103.904 -167.043 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 26.3 p -89.02 169.37 11.58 Favored 'General case' 0 C--N 1.368 1.373 0 C-N-CA 128.23 2.612 . . . . 2.04 109.571 -171.414 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.53 -37.25 21.3 Favored Pre-proline 0 C--N 1.366 1.31 0 N-CA-C 120.253 3.427 . . . . 1.23 120.253 -173.077 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -67.68 -30.21 34.94 Favored 'Trans proline' 0 C--N 1.36 1.161 0 C-N-CA 124.282 3.322 . . . . 1.3899999999999999 115.062 173.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -101.02 -21.45 15.02 Favored 'General case' 0 C--N 1.363 1.157 0 C-N-CA 126.535 1.934 . . . . 1.72 114.507 178.204 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 65.2 ttp85 -84.23 -35.09 23.69 Favored 'General case' 0 C--N 1.375 1.683 0 C-N-CA 126.08 1.752 . . . . 3.04 112.231 -178.449 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 54.7 mm-40 -79.78 -21.06 44.84 Favored 'General case' 0 C--N 1.366 1.283 0 C-N-CA 127.404 2.281 . . . . 1.8600000000000001 112.279 177.355 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 20.4 t60 -83.34 -30.12 27.72 Favored 'General case' 0 C--N 1.365 1.277 0 C-N-CA 128.293 2.637 . . . . 2.0099999999999998 111.51 178.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.4 -47.99 71.53 Favored 'General case' 0 C--N 1.371 1.501 0 C-N-CA 129.574 3.15 . . . . 1.1899999999999999 111.57 171.842 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.87 -28.95 66.07 Favored 'General case' 0 C--N 1.354 0.78 0 C-N-CA 128.609 2.764 . . . . 1.0700000000000001 116.513 179.255 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 75.7 m -83.26 -28.25 29.29 Favored 'General case' 0 C--N 1.361 1.095 0 C-N-CA 126.04 1.736 . . . . 1.03 112.871 174.096 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -73.41 -37.28 65.99 Favored 'General case' 0 C--N 1.362 1.146 0 C-N-CA 127.281 2.232 . . . . 2.3500000000000001 113.024 175.421 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.414 HD12 HD21 ' A' ' 48' ' ' LEU . 2.8 pt -105.59 -13.4 9.36 Favored 'Isoleucine or valine' 0 C--N 1.366 1.319 0 C-N-CA 124.566 1.146 . . . . 1.0900000000000001 112.317 -173.83 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 15.7 tpp180 87.58 41.76 0.01 OUTLIER 'General case' 0 C--N 1.37 1.495 0 C-N-CA 129.109 2.964 . . . . 3.6099999999999999 115.132 164.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.414 HD21 HD12 ' A' ' 46' ' ' ILE . 0.2 OUTLIER -113.2 179.31 4.0 Favored 'General case' 0 C--N 1.361 1.108 0 C-N-CA 125.71 1.604 . . . . 1.1799999999999999 110.115 -179.034 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 72.8 p -96.62 151.62 38.06 Favored Pre-proline 0 C--N 1.366 1.318 0 C-N-CA 127.244 2.218 . . . . 1.4099999999999999 109.187 175.624 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_exo -57.27 -18.36 30.03 Favored 'Trans proline' 0 C--N 1.366 1.448 1 C-N-CA 126.515 4.81 . . . . 1.0600000000000001 118.47 172.719 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 14.7 t -88.77 -41.0 12.8 Favored 'General case' 0 C--N 1.366 1.298 0 CA-C-N 120.13 1.332 . . . . 1.1299999999999999 111.827 -174.547 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -67.01 -38.34 85.78 Favored 'General case' 0 C--N 1.364 1.22 0 C-N-CA 126.846 2.059 . . . . 1.04 113.351 172.024 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 10.3 p -65.63 -46.69 88.68 Favored 'Isoleucine or valine' 0 C--N 1.382 1.992 0 N-CA-C 113.821 1.045 . . . . 1.0900000000000001 113.821 173.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.39 -43.09 99.64 Favored 'General case' 0 C--N 1.374 1.659 0 C-N-CA 126.013 1.725 . . . . 1.74 115.267 179.549 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.279 12.1 mt -85.12 -9.6 11.38 Favored 'Isoleucine or valine' 0 C--N 1.367 1.338 0 C-N-CA 125.271 1.428 . . . . 1.3200000000000001 114.692 -179.417 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 38.7 t90 -75.24 -40.88 58.6 Favored 'General case' 0 C--N 1.381 1.948 0 CA-C-N 120.225 1.375 . . . . 0.34000000000000002 110.936 165.26 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -79.4 -14.28 59.05 Favored 'General case' 0 C--N 1.368 1.383 0 C-N-CA 124.96 1.304 . . . . 0.46000000000000002 114.149 178.107 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -75.38 -43.28 51.11 Favored 'General case' 0 C--N 1.362 1.122 0 C-N-CA 127.346 2.258 . . . . 1.3400000000000001 112.489 169.064 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 56.6 m-20 -95.0 -25.71 16.38 Favored 'General case' 0 C--N 1.365 1.244 0 C-N-CA 125.561 1.545 . . . . 0.85999999999999999 114.327 -168.531 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -90.55 24.93 2.45 Favored 'General case' 0 C--N 1.367 1.347 0 N-CA-C 114.466 1.284 . . . . 2.3900000000000001 114.466 -170.418 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.435 ' HD3' ' H ' ' A' ' 62' ' ' TYR 0.284 0.0 OUTLIER -85.78 -38.49 18.14 Favored 'General case' 0 C--N 1.364 1.227 0 C-N-CA 125.384 1.474 . . . . 3.9100000000000001 112.994 158.735 . . . . . . . . 4 4 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.435 ' H ' ' HD3' ' A' ' 61' ' ' ARG . 0.4 OUTLIER 73.76 24.58 2.12 Favored 'General case' 0 N--CA 1.507 2.404 0 N-CA-C 115.924 1.824 . . . . 6.3799999999999999 115.924 134.561 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . 0.267 0.0 OUTLIER 53.95 63.35 2.22 Favored 'General case' 0 N--CA 1.499 2.022 0 C-N-CA 127.202 2.201 . . . . 5.9000000000000004 113.866 -174.624 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . 0.289 2.9 p -57.25 -30.94 65.06 Favored 'General case' 0 C--N 1.358 0.951 0 N-CA-C 120.066 3.358 . . . . 4.0999999999999996 120.066 -139.25 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -75.5 -34.07 60.81 Favored 'General case' 0 C--N 1.363 1.167 0 C-N-CA 126.707 2.003 . . . . 8.1699999999999999 115.008 177.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 27.3 mmt85 -124.8 67.12 1.1 Allowed 'General case' 0 C--N 1.366 1.285 0 N-CA-C 105.762 -1.94 . . . . 11.25 105.762 176.429 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -100.25 -27.9 13.26 Favored 'General case' 0 C--N 1.367 1.344 0 C-N-CA 126.06 1.744 . . . . 9.0999999999999996 110.302 -172.18 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . 2.306 0.0 OUTLIER -67.12 -31.01 71.18 Favored 'General case' 0 C--N 1.376 1.721 0 C-N-CA 130.456 3.502 . . . . 9.6899999999999995 112.848 165.27 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . 2.277 0.9 OUTLIER -59.83 -21.87 61.49 Favored 'General case' 0 CA--C 1.495 -1.145 1 C-N-CA 133.077 4.551 . . . . 12.300000000000001 117.224 -176.143 . . . . . . . . 4 3 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -46.89 -29.93 2.26 Favored 'General case' 0 C--N 1.362 1.149 1 N-CA-C 122.039 4.088 . . . . 12.73 122.039 -162.013 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.52 121.07 42.7 Favored 'General case' 0 C--N 1.368 1.412 0 CA-C-N 121.506 1.957 . . . . 16.57 108.767 160.783 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 128.6 -51.57 0.85 Allowed Glycine 0 C--N 1.356 1.658 0 N-CA-C 108.376 -1.89 . . . . 15.41 108.376 179.183 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 20.7 t80 -77.43 -19.66 55.73 Favored 'General case' 0 C--N 1.36 1.043 0 C-N-CA 128.737 2.815 . . . . 14.050000000000001 115.732 -172.314 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -121.15 42.63 3.01 Favored 'General case' 0 N--CA 1.44 -0.946 0 C-N-CA 128.132 2.573 . . . . 14.869999999999999 108.291 -175.615 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 161.72 -114.87 0.63 Allowed Glycine 0 C--N 1.356 1.692 0 N-CA-C 107.086 -2.405 . . . . 15.93 107.086 179.415 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -146.9 140.63 15.21 Favored Pre-proline 0 C--N 1.36 1.037 0 N-CA-C 105.045 -2.206 . . . . 18.370000000000001 105.045 -178.276 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo . . . . . 0 C--O 1.262 1.705 0 C-N-CA 123.731 2.954 . . . . 17.68 109.21 173.775 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 121.324 0.583 . . . . 17.23 110.976 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.6 m -140.28 -149.07 0.26 Allowed 'General case' 0 C--N 1.362 1.126 0 N-CA-C 105.759 -1.941 . . . . 16.920000000000002 105.759 -177.585 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -156.34 145.66 20.64 Favored 'General case' 0 C--N 1.362 1.115 0 N-CA-C 104.961 -2.237 . . . . 17.010000000000002 104.961 -177.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.97 -138.46 4.16 Favored Glycine 0 C--N 1.356 1.645 0 N-CA-C 107.315 -2.314 . . . . 15.789999999999999 107.315 -178.334 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . 0.287 16.9 mt -117.37 -58.38 0.04 OUTLIER Pre-proline 0 C--N 1.364 1.237 0 CA-C-O 116.025 -1.941 . . . . 16.199999999999999 110.566 -178.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -80.98 114.09 2.84 Favored 'Trans proline' 0 C--N 1.366 1.473 0 C-N-CA 123.799 3.0 . . . . 14.32 111.037 176.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 48.3 t30 -98.8 71.75 1.93 Allowed 'General case' 0 C--N 1.367 1.357 0 C-N-CA 127.467 2.307 . . . . 15.539999999999999 106.995 177.587 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -129.9 -32.41 1.87 Allowed 'General case' 0 C--N 1.358 0.953 0 C-N-CA 126.739 2.016 . . . . 17.260000000000002 106.325 -170.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 42.1 ttmt -151.84 143.23 23.42 Favored 'General case' 0 C--N 1.359 0.98 0 N-CA-C 103.111 -2.922 . . . . 14.380000000000001 103.111 167.676 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 32.3 mmt180 -124.45 69.01 1.08 Allowed 'General case' 0 C--N 1.362 1.131 0 C-N-CA 124.998 1.319 . . . . 13.85 107.952 176.585 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . 0.299 58.8 tttt 83.01 -92.61 0.01 OUTLIER 'General case' 0 C--N 1.363 1.176 0 C-N-CA 128.614 2.766 . . . . 13.210000000000001 114.083 165.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.9 ptp180 -55.68 121.15 8.48 Favored 'General case' 0 C--N 1.363 1.182 0 C-N-CA 130.504 3.522 . . . . 10.609999999999999 117.725 -172.447 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.0 mmm180 -97.11 169.03 10.09 Favored 'General case' 0 C--N 1.374 1.632 0 C-N-CA 130.552 3.541 . . . . 8.1999999999999993 110.181 -3.14 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.29 11.0 t -101.58 18.07 3.68 Favored 'Isoleucine or valine' 0 C--N 1.366 1.308 0 C-N-CA 129.735 3.214 . . . . 4.5700000000000003 111.199 -158.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 79.2 mt -78.7 102.63 8.16 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 129.502 3.121 . . . . 5.2400000000000002 112.711 -172.231 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.448 ' HB3' ' HB2' ' A' ' 20' ' ' GLN . 22.7 m-85 -105.18 150.43 25.08 Favored 'General case' 0 N--CA 1.435 -1.201 0 C-N-CA 128.874 2.869 . . . . 1.6399999999999999 112.446 -170.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 30.7 m -107.46 -173.57 2.32 Favored 'General case' 0 C--N 1.365 1.275 0 C-N-CA 127.156 2.183 . . . . 1.3100000000000001 107.649 173.342 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -85.34 10.68 11.97 Favored 'General case' 0 C--N 1.368 1.403 0 C-N-CA 126.464 1.906 . . . . 3.73 115.392 -169.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.24 -44.12 13.17 Favored 'General case' 0 C--N 1.362 1.129 0 C-N-CA 126.655 1.982 . . . . 1.1299999999999999 112.343 159.221 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.448 ' HB2' ' HB3' ' A' ' 16' ' ' PHE . 50.0 mm-40 -77.0 -45.78 26.11 Favored 'General case' 0 C--N 1.369 1.425 0 C-N-CA 128.331 2.652 . . . . 0.85999999999999999 111.996 -171.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 72.2 p -67.64 -34.67 77.43 Favored 'General case' 0 C--N 1.374 1.639 0 C-N-CA 128.289 2.636 . . . . 1.1200000000000001 112.11 177.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -58.28 -57.4 13.04 Favored 'General case' 0 C--N 1.371 1.542 0 C-N-CA 128.719 2.808 . . . . 1.22 112.717 174.241 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -66.8 -37.47 84.61 Favored 'General case' 0 C--N 1.369 1.436 0 C-N-CA 125.969 1.707 . . . . 1.3100000000000001 115.536 -175.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 98.6 mt -66.89 -37.15 83.84 Favored 'General case' 0 C--N 1.364 1.198 0 C-N-CA 126.98 2.112 . . . . 1.0900000000000001 115.747 176.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -77.01 -27.08 54.49 Favored 'General case' 0 C--N 1.359 0.984 0 C-N-CA 126.74 2.016 . . . . 1.6599999999999999 114.332 176.352 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 11.3 mtm180 -69.57 -45.6 68.31 Favored 'General case' 0 C--N 1.377 1.796 0 C-N-CA 124.521 1.128 . . . . 2.54 112.488 175.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.307 4.0 mmm180 -71.29 -28.07 63.87 Favored 'General case' 0 C--N 1.381 1.956 0 CA-C-N 115.685 -0.689 . . . . 2.54 112.592 -179.228 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -68.35 -36.02 78.61 Favored 'General case' 0 C--N 1.376 1.737 0 C-N-CA 128.016 2.527 . . . . 0.82999999999999996 113.713 178.385 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.1 mmt85 -79.23 -14.83 58.8 Favored 'General case' 0 C--N 1.367 1.349 0 C-N-CA 124.846 1.258 . . . . 4.5700000000000003 113.994 178.352 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 94.7 mm-40 -95.19 -31.99 13.26 Favored 'General case' 0 C--N 1.368 1.408 0 C-N-CA 126.004 1.721 . . . . 2.5299999999999998 112.991 173.069 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -167.63 153.46 7.48 Favored 'General case' 0 C--N 1.366 1.311 0 N-CA-C 106.024 -1.843 . . . . 2.04 106.024 -166.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 77.0 mmt-85 -102.17 -34.05 9.42 Favored 'General case' 0 C--N 1.359 1.008 0 C-N-CA 124.788 1.235 . . . . 4.25 110.225 -175.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -121.06 139.03 53.88 Favored 'General case' 0 C--N 1.358 0.944 0 C-N-CA 125.897 1.679 . . . . 5.9000000000000004 107.9 179.165 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -144.26 122.29 12.1 Favored 'General case' 0 CA--C 1.501 -0.919 0 C-N-CA 129.73 3.212 . . . . 1.28 102.356 -172.309 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 9.5 m -90.64 164.16 14.28 Favored 'General case' 0 C--N 1.366 1.313 0 C-N-CA 126.487 1.915 . . . . 2.04 109.864 -170.214 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -46.14 -35.13 3.83 Favored Pre-proline 0 C--N 1.367 1.352 0 N-CA-C 121.047 3.721 . . . . 1.23 121.047 -170.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_exo -66.98 -32.7 34.56 Favored 'Trans proline' 0 C--N 1.36 1.162 0 C-N-CA 124.265 3.31 . . . . 1.3899999999999999 115.107 174.085 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -102.55 -19.3 14.91 Favored 'General case' 0 C--N 1.362 1.145 0 C-N-CA 126.239 1.815 . . . . 1.72 114.738 176.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 42.1 ttp180 -80.02 -41.97 24.74 Favored 'General case' 0 C--N 1.375 1.681 0 C-N-CA 126.243 1.817 . . . . 3.04 111.68 -179.436 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -81.47 -20.17 40.8 Favored 'General case' 0 C--N 1.369 1.443 0 C-N-CA 126.711 2.004 . . . . 1.8600000000000001 112.287 -177.472 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 21.2 t60 -84.29 -26.13 28.8 Favored 'General case' 0 C--N 1.365 1.282 0 C-N-CA 128.222 2.609 . . . . 2.0099999999999998 111.469 177.15 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -74.76 -31.74 61.87 Favored 'General case' 0 C--N 1.369 1.439 0 C-N-CA 128.151 2.58 . . . . 1.1899999999999999 111.844 171.625 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -82.26 -25.78 33.77 Favored 'General case' 0 C--N 1.364 1.196 0 C-N-CA 127.776 2.43 . . . . 1.0700000000000001 113.384 176.524 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.3 t -85.08 -28.74 25.42 Favored 'General case' 0 C--N 1.357 0.918 0 C-N-CA 125.849 1.66 . . . . 1.03 112.562 176.342 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -76.11 -41.6 49.71 Favored 'General case' 0 C--N 1.362 1.116 0 C-N-CA 127.799 2.44 . . . . 2.3500000000000001 112.109 177.154 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.2 pt -98.62 -14.72 7.66 Favored 'Isoleucine or valine' 0 C--N 1.367 1.334 0 C-N-CA 124.287 1.035 . . . . 1.0900000000000001 112.007 -175.394 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 13.2 tpp180 93.32 52.18 0.0 OUTLIER 'General case' 0 C--N 1.376 1.727 0 C-N-CA 129.099 2.96 . . . . 3.6099999999999999 114.179 160.235 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 75.0 mt -127.51 -162.64 1.18 Allowed 'General case' 0 C--N 1.367 1.361 0 C-N-CA 124.675 1.19 . . . . 1.1799999999999999 111.293 -176.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 69.7 p -104.71 148.74 36.55 Favored Pre-proline 0 C--N 1.369 1.44 0 C-N-CA 128.38 2.672 . . . . 1.4099999999999999 109.013 176.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -61.85 -20.12 68.14 Favored 'Trans proline' 0 C--N 1.361 1.216 1 C-N-CA 126.252 4.634 . . . . 1.0600000000000001 117.258 170.37 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.9 t -87.99 -29.87 20.43 Favored 'General case' 0 C--N 1.365 1.245 0 C-N-CA 126.372 1.869 . . . . 1.1299999999999999 111.215 -177.328 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -82.69 -32.46 28.07 Favored 'General case' 0 C--N 1.37 1.49 0 CA-C-N 119.576 1.08 . . . . 1.04 112.483 178.385 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 8.4 p -68.24 -41.95 84.26 Favored 'Isoleucine or valine' 0 C--N 1.38 1.93 0 C-N-CA 124.788 1.235 . . . . 1.0900000000000001 112.658 170.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.83 -46.25 78.17 Favored 'General case' 0 C--N 1.371 1.5 0 C-N-CA 126.998 2.119 . . . . 1.74 115.811 172.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.304 5.9 mt -86.89 -8.86 11.1 Favored 'Isoleucine or valine' 0 C--N 1.366 1.324 0 N-CA-C 115.403 1.631 . . . . 1.3200000000000001 115.403 -179.665 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 36.8 t90 -73.72 -40.77 63.33 Favored 'General case' 0 C--N 1.379 1.848 0 CA-C-N 120.124 1.329 . . . . 0.34000000000000002 111.346 165.411 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -83.15 -11.72 57.65 Favored 'General case' 0 C--N 1.365 1.271 0 C-N-CA 126.425 1.89 . . . . 0.46000000000000002 113.753 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -81.43 -40.27 23.63 Favored 'General case' 0 C--N 1.358 0.936 0 C-N-CA 127.441 2.296 . . . . 1.3400000000000001 112.026 171.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 48.6 m-20 -93.78 -27.29 16.56 Favored 'General case' 0 C--N 1.366 1.309 0 C-N-CA 125.743 1.617 . . . . 0.85999999999999999 114.085 -171.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -87.17 -5.28 59.04 Favored 'General case' 0 C--N 1.365 1.245 0 C-N-CA 125.096 1.358 . . . . 2.3900000000000001 114.048 -176.258 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -89.1 75.26 7.93 Favored 'General case' 0 C--N 1.376 1.733 0 C-N-CA 129.069 2.948 . . . . 3.9100000000000001 106.433 151.083 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . 0.327 0.1 OUTLIER -145.75 -112.96 0.09 Allowed 'General case' 0 N--CA 1.434 -1.24 0 C-N-CA 131.163 3.785 . . . . 6.3799999999999999 111.314 31.46 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . 0.378 10.7 mptt 8.59 60.95 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.316 1 C-N-CA 136.075 5.75 . . . . 5.9000000000000004 115.938 -133.635 . . . . . . . . 3 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . 0.269 15.1 m -70.06 -35.15 74.03 Favored 'General case' 0 C--N 1.359 1.006 0 C-N-CA 130.919 3.688 . . . . 4.0999999999999996 117.458 -162.483 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 49.8 mmtm -91.13 53.92 2.47 Favored 'General case' 0 C--N 1.373 1.606 0 C-N-CA 127.328 2.251 . . . . 8.1699999999999999 111.779 173.17 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.405 ' HG2' ' H ' ' A' ' 67' ' ' ALA . 41.1 ttp180 -147.78 -177.77 5.9 Favored 'General case' 0 C--N 1.357 0.9 0 N-CA-C 105.961 -1.866 . . . . 11.25 105.961 -173.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.405 ' H ' ' HG2' ' A' ' 66' ' ' ARG . . . -100.07 104.07 15.62 Favored 'General case' 0 C--N 1.361 1.069 0 C-N-CA 127.029 2.132 . . . . 9.0999999999999996 106.923 166.432 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -95.08 95.45 8.59 Favored 'General case' 0 C--N 1.364 1.202 0 C-N-CA 125.851 1.66 . . . . 9.6899999999999995 108.3 179.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -132.92 63.07 1.64 Allowed 'General case' 0 N--CA 1.438 -1.069 0 C-N-CA 127.03 2.132 . . . . 12.300000000000001 107.294 -176.333 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -90.83 146.02 24.28 Favored 'General case' 0 C--N 1.364 1.224 0 N-CA-C 103.967 -2.605 . . . . 12.73 103.967 134.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . 0.256 13.3 ptmm? -64.56 114.93 4.7 Favored 'General case' 0 C--N 1.359 0.984 0 N-CA-C 117.854 2.539 . . . . 16.57 117.854 -148.685 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 81.44 54.07 3.63 Favored Glycine 0 C--N 1.36 1.904 0 C-N-CA 127.632 2.539 . . . . 15.41 113.961 172.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . 0.256 10.4 m-85 -108.78 -76.71 0.61 Allowed 'General case' 0 C--N 1.359 0.981 0 C-N-CA 125.694 1.598 . . . . 14.050000000000001 110.832 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -97.84 63.49 1.68 Allowed 'General case' 0 N--CA 1.446 -0.671 0 C-N-CA 128.469 2.707 . . . . 14.869999999999999 109.765 179.118 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 112.1 -127.81 8.25 Favored Glycine 0 C--N 1.361 1.917 0 C-N-CA 127.148 2.309 . . . . 15.93 109.201 179.216 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 71.3 m-70 -113.62 160.12 33.0 Favored Pre-proline 0 C--N 1.364 1.213 0 C-N-CA 126.888 2.075 . . . . 18.370000000000001 106.956 176.548 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo . . . . . 0 C--O 1.262 1.718 0 C-N-CA 123.993 3.129 . . . . 17.68 110.024 173.668 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.581 0.229 . . . . 17.23 110.921 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.0 p -147.24 -28.01 0.37 Allowed 'General case' 0 C--N 1.362 1.142 0 N-CA-C 107.782 -1.192 . . . . 16.920000000000002 107.782 -179.545 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 19.0 p30 -142.22 72.78 1.39 Allowed 'General case' 0 C--N 1.358 0.971 0 N-CA-C 106.022 -1.844 . . . . 17.010000000000002 106.022 -179.332 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.33 144.43 9.71 Favored Glycine 0 C--N 1.361 1.942 0 N-CA-C 108.346 -1.902 . . . . 15.789999999999999 108.346 -172.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 22.8 mt -126.04 165.14 29.13 Favored Pre-proline 0 C--N 1.362 1.117 0 N-CA-C 105.597 -2.001 . . . . 16.199999999999999 105.597 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -84.56 76.64 3.35 Favored 'Trans proline' 0 C--N 1.367 1.507 0 C-N-CA 123.738 2.959 . . . . 14.32 110.699 176.23 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -159.23 -69.44 0.08 Allowed 'General case' 0 N--CA 1.441 -0.904 0 N-CA-C 103.633 -2.729 . . . . 15.539999999999999 103.633 -178.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.3 pttm -148.51 145.06 27.74 Favored 'General case' 0 C--N 1.357 0.905 0 N-CA-C 106.897 -1.52 . . . . 17.260000000000002 106.897 -174.351 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -167.01 90.45 0.37 Allowed 'General case' 0 CA--C 1.504 -0.823 0 N-CA-C 103.953 -2.61 . . . . 14.380000000000001 103.953 179.483 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 72.91 85.7 0.11 Allowed 'General case' 0 C--N 1.368 1.372 0 C-N-CA 128.837 2.855 . . . . 13.85 113.369 176.292 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 87.8 mttt 74.79 32.94 0.81 Allowed 'General case' 0 C--N 1.366 1.294 0 C-N-CA 127.162 2.185 . . . . 13.210000000000001 113.527 174.043 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 61.77 126.14 0.01 OUTLIER 'General case' 0 C--N 1.367 1.351 0 C-N-CA 131.087 3.755 . . . . 10.609999999999999 117.564 174.38 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 27.7 mmm180 -87.13 133.07 33.67 Favored 'General case' 0 C--N 1.368 1.377 0 C-N-CA 127.824 2.45 . . . . 8.1999999999999993 110.602 -179.23 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 32.8 m -77.7 121.03 29.48 Favored 'Isoleucine or valine' 0 C--N 1.363 1.184 0 CA-C-O 123.837 1.78 . . . . 4.5700000000000003 114.404 -80.248 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -136.53 150.24 48.53 Favored 'General case' 0 N--CA 1.431 -1.38 0 C-N-CA 129.744 3.218 . . . . 5.2400000000000002 102.401 176.58 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -105.9 91.07 3.58 Favored 'General case' 0 N--CA 1.435 -1.218 0 C-N-CA 127.161 2.184 . . . . 1.6399999999999999 105.847 178.175 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 20.8 m -104.18 -172.32 2.09 Favored 'General case' 0 C--N 1.35 0.614 0 C-N-CA 128.305 2.642 . . . . 1.3100000000000001 108.591 -174.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.22 -0.38 24.97 Favored 'General case' 0 C--N 1.369 1.421 0 C-N-CA 127.112 2.165 . . . . 3.73 116.113 -170.673 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.32 -47.64 9.83 Favored 'General case' 0 C--N 1.361 1.09 0 C-N-CA 126.388 1.875 . . . . 1.1299999999999999 111.924 164.555 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 42.9 mm-40 -69.64 -45.52 68.26 Favored 'General case' 0 C--N 1.374 1.645 0 C-N-CA 128.365 2.666 . . . . 0.85999999999999999 112.719 -173.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 77.3 p -73.97 -30.31 62.44 Favored 'General case' 0 C--N 1.367 1.346 0 C-N-CA 126.943 2.097 . . . . 1.1200000000000001 112.32 -178.047 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 46.4 t80 -68.98 -47.56 65.3 Favored 'General case' 0 C--N 1.363 1.165 0 C-N-CA 127.498 2.319 . . . . 1.22 112.978 -179.33 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -73.66 -38.37 64.97 Favored 'General case' 0 C--N 1.359 0.986 0 N-CA-C 115.652 1.723 . . . . 1.3100000000000001 115.652 -179.452 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 94.4 mt -69.55 -42.01 75.16 Favored 'General case' 0 C--N 1.362 1.115 0 C-N-CA 126.077 1.751 . . . . 1.0900000000000001 114.884 178.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 80.4 mt-10 -70.8 -32.12 69.1 Favored 'General case' 0 C--N 1.364 1.206 0 C-N-CA 127.24 2.216 . . . . 1.6599999999999999 114.903 174.724 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . 0.264 5.5 ptp180 -73.63 -41.64 62.5 Favored 'General case' 0 C--N 1.374 1.633 0 N-CA-C 115.234 1.568 . . . . 2.54 115.234 177.428 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.485 0.0 OUTLIER -86.07 1.9 48.61 Favored 'General case' 0 C--N 1.369 1.438 0 N-CA-C 115.732 1.753 . . . . 2.54 115.732 170.455 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -83.16 -36.66 24.56 Favored 'General case' 0 C--N 1.368 1.389 0 C-N-CA 124.741 1.216 . . . . 0.82999999999999996 113.651 158.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 23.6 mmm-85 -86.87 -49.69 7.23 Favored 'General case' 0 C--N 1.369 1.429 0 C-N-CA 125.205 1.402 . . . . 4.5700000000000003 114.384 -171.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . 0.27 0.0 OUTLIER -93.94 9.64 36.65 Favored 'General case' 0 C--N 1.369 1.421 0 C-N-CA 125.773 1.629 . . . . 2.5299999999999998 113.15 -178.295 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -143.15 173.77 11.28 Favored 'General case' 0 C--N 1.361 1.107 0 N-CA-C 103.835 -2.654 . . . . 2.04 103.835 174.026 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.8 mtp-105 -102.42 -76.85 0.57 Allowed 'General case' 0 C--N 1.362 1.148 0 N-CA-C 102.06 -3.311 . . . . 4.25 102.06 129.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . 2.299 4.3 m-85 55.19 67.76 0.97 Allowed 'General case' 0 C--N 1.368 1.395 0 C-N-CA 131.256 3.822 . . . . 5.9000000000000004 117.759 127.546 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . 0.253 0.0 OUTLIER -162.54 119.59 2.0 Favored 'General case' 0 C--N 1.352 0.705 0 N-CA-C 106.822 -1.547 . . . . 1.28 106.822 173.483 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 13.6 m -106.98 166.78 10.35 Favored 'General case' 0 C--N 1.375 1.68 0 C-N-CA 125.878 1.671 . . . . 2.04 106.952 -177.582 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -43.49 -37.16 2.58 Favored Pre-proline 0 C--N 1.368 1.404 0 N-CA-C 120.928 3.677 . . . . 1.23 120.928 -172.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -67.53 -33.84 27.66 Favored 'Trans proline' 0 C--N 1.363 1.299 0 C-N-CA 124.435 3.423 . . . . 1.3899999999999999 115.394 175.087 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -101.3 -9.19 21.43 Favored 'General case' 0 C--N 1.364 1.21 0 C-N-CA 125.679 1.592 . . . . 1.72 114.478 176.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 35.7 ttt85 -88.89 -43.42 11.2 Favored 'General case' 0 C--N 1.366 1.318 0 C-N-CA 127.385 2.274 . . . . 3.04 111.857 -176.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -83.24 -19.69 35.94 Favored 'General case' 0 C--N 1.369 1.447 0 C-N-CA 126.524 1.93 . . . . 1.8600000000000001 111.923 177.614 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 40.3 t-80 -84.76 -25.12 28.47 Favored 'General case' 0 C--N 1.367 1.334 0 C-N-CA 127.151 2.18 . . . . 2.0099999999999998 111.49 176.303 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -69.53 -33.91 73.49 Favored 'General case' 0 C--N 1.371 1.512 0 C-N-CA 128.047 2.539 . . . . 1.1899999999999999 112.188 166.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -74.19 -27.5 60.83 Favored 'General case' 0 C--N 1.362 1.15 0 C-N-CA 126.764 2.026 . . . . 1.0700000000000001 114.015 172.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 50.1 m -83.34 -28.28 29.12 Favored 'General case' 0 C--N 1.358 0.953 0 C-N-CA 125.305 1.442 . . . . 1.03 113.988 173.495 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -77.39 -38.9 48.9 Favored 'General case' 0 C--N 1.362 1.148 0 C-N-CA 127.912 2.485 . . . . 2.3500000000000001 112.147 179.554 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.6 pt -100.08 -18.29 6.39 Favored 'Isoleucine or valine' 0 C--N 1.366 1.288 0 C-N-CA 124.654 1.182 . . . . 1.0900000000000001 111.264 -175.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 17.6 tpt180 84.23 67.37 0.01 OUTLIER 'General case' 0 C--N 1.372 1.544 0 C-N-CA 129.131 2.972 . . . . 3.6099999999999999 113.626 169.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 93.3 mt -137.27 -160.47 1.06 Allowed 'General case' 0 C--N 1.354 0.788 0 N-CA-C 106.704 -1.591 . . . . 1.1799999999999999 106.704 173.004 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 77.1 p -107.67 145.84 32.14 Favored Pre-proline 0 C--N 1.364 1.221 0 C-N-CA 127.085 2.154 . . . . 1.4099999999999999 107.414 175.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_exo -61.35 -18.01 56.58 Favored 'Trans proline' 0 C--N 1.366 1.456 1 C-N-CA 125.984 4.456 . . . . 1.0600000000000001 116.484 171.542 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.8 t -85.52 -29.88 23.87 Favored 'General case' 0 C--N 1.366 1.307 0 C-N-CA 127.723 2.409 . . . . 1.1299999999999999 111.253 -178.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . 0.25 9.1 pt20 -84.56 -31.45 24.35 Favored 'General case' 0 C--N 1.373 1.629 0 CA-C-N 119.505 1.048 . . . . 1.04 112.72 178.408 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 5.8 p -68.55 -33.68 61.26 Favored 'Isoleucine or valine' 0 C--N 1.379 1.872 0 C-N-CA 124.582 1.153 . . . . 1.0900000000000001 112.869 167.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.45 ' HZ2' HE21 ' A' ' 58' ' ' GLN . 0.2 OUTLIER -53.01 -55.18 25.53 Favored 'General case' 0 C--N 1.371 1.508 0 C-N-CA 128.083 2.553 . . . . 1.74 116.241 166.741 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.267 4.9 mt -82.6 -6.5 10.06 Favored 'Isoleucine or valine' 0 C--N 1.368 1.382 0 N-CA-C 114.551 1.315 . . . . 1.3200000000000001 114.551 179.429 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 25.5 t90 -76.38 -43.13 42.05 Favored 'General case' 0 C--N 1.376 1.753 0 C-N-CA 125.726 1.61 . . . . 0.34000000000000002 111.186 169.399 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -80.23 -14.12 58.68 Favored 'General case' 0 C--N 1.37 1.474 0 C-N-CA 126.591 1.956 . . . . 0.46000000000000002 112.691 178.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.45 HE21 ' HZ2' ' A' ' 54' ' ' LYS . 18.9 tt0 -78.92 -37.59 39.45 Favored 'General case' 0 C--N 1.36 1.061 0 C-N-CA 127.56 2.344 . . . . 1.3400000000000001 112.197 172.229 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 60.8 m-20 -90.65 -37.3 13.85 Favored 'General case' 0 C--N 1.366 1.286 0 C-N-CA 126.126 1.77 . . . . 0.85999999999999999 113.818 -174.094 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -78.11 -5.23 50.93 Favored 'General case' 0 C--N 1.365 1.241 0 C-N-CA 125.965 1.706 . . . . 2.3900000000000001 115.258 -171.065 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 11.6 ptm180 -86.25 51.81 2.32 Favored 'General case' 0 C--N 1.372 1.568 0 C-N-CA 129.855 3.262 . . . . 3.9100000000000001 114.46 174.055 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -138.05 55.77 1.76 Allowed 'General case' 0 C--N 1.374 1.673 0 CA-C-N 120.406 1.457 . . . . 6.3799999999999999 111.827 -177.456 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 53.58 34.5 18.72 Favored 'General case' 0 N--CA 1.498 1.95 0 C-N-CA 127.223 2.209 . . . . 5.9000000000000004 115.449 176.402 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -81.14 -19.38 43.59 Favored 'General case' 0 C--N 1.369 1.417 0 C-N-CA 125.855 1.662 . . . . 4.0999999999999996 115.472 -151.327 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 11.2 mmpt? -75.32 -52.41 10.88 Favored 'General case' 0 C--N 1.37 1.492 0 C-N-CA 126.931 2.092 . . . . 8.1699999999999999 115.137 -166.077 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 8.4 ptp85 -147.97 -39.23 0.18 Allowed 'General case' 0 C--N 1.36 1.052 0 CA-C-N 118.107 0.412 . . . . 11.25 110.807 -165.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -100.13 93.22 5.6 Favored 'General case' 0 C--N 1.366 1.286 0 C-N-CA 124.291 1.036 . . . . 9.0999999999999996 109.959 -179.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . 2.281 2.7 pt20 -54.52 -74.08 0.04 OUTLIER 'General case' 0 C--N 1.357 0.928 0 C-N-CA 130.575 3.55 . . . . 9.6899999999999995 118.306 -173.558 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -123.47 53.12 1.36 Allowed 'General case' 0 CA--C 1.51 -0.592 0 C-N-CA 127.073 2.149 . . . . 12.300000000000001 109.093 -158.019 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . 0.507 9.2 pt-20 -52.25 -60.55 3.09 Favored 'General case' 0 N--CA 1.485 1.293 0 N-CA-C 118.478 2.769 . . . . 12.73 118.478 165.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.414 ' H ' ' HD2' ' A' ' 71' ' ' LYS . 0.0 OUTLIER -101.57 -177.09 3.33 Favored 'General case' 0 C--N 1.378 1.826 0 CA-C-N 122.035 2.198 . . . . 16.57 106.607 152.596 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -56.94 -39.82 89.66 Favored Glycine 0 C--N 1.359 1.817 1 C-N-CA 130.911 4.101 . . . . 15.41 116.873 -168.424 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . 2.53 0.0 OUTLIER 173.76 -120.38 0.0 OUTLIER 'General case' 0 N--CA 1.417 -2.086 0 N-CA-C 100.82 -3.77 . . . . 14.050000000000001 100.82 169.502 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -114.57 72.68 0.8 Allowed 'General case' 0 N--CA 1.438 -1.028 0 C-N-CA 131.344 3.858 . . . . 14.869999999999999 109.137 -169.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 113.64 -75.68 0.24 Allowed Glycine 0 C--N 1.356 1.673 0 N-CA-C 107.255 -2.338 . . . . 15.93 107.255 -174.548 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 19.3 t-160 -148.45 -52.59 0.02 OUTLIER Pre-proline 0 C--N 1.356 0.869 0 CA-C-O 116.119 -1.896 . . . . 18.370000000000001 108.468 178.235 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo . . . . . 0 C--O 1.261 1.645 0 CA-C-N 125.373 2.955 . . . . 17.68 109.994 172.532 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.726 0.298 . . . . 17.23 111.287 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.2 p -145.25 -48.89 0.24 Allowed 'General case' 0 C--N 1.36 1.056 0 N-CA-C 105.809 -1.923 . . . . 16.920000000000002 105.809 177.521 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -145.61 95.03 2.59 Favored 'General case' 0 C--N 1.358 0.976 0 N-CA-C 102.747 -3.057 . . . . 17.010000000000002 102.747 174.517 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.02 -136.87 2.62 Favored Glycine 0 C--N 1.357 1.725 0 N-CA-C 109.85 -1.3 . . . . 15.789999999999999 109.85 -173.841 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . 0.287 17.4 mt -104.99 -46.58 0.14 Allowed Pre-proline 0 C--N 1.364 1.225 0 CA-C-O 115.821 -2.038 . . . . 16.199999999999999 113.055 -173.898 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -85.49 77.68 2.65 Favored 'Trans proline' 0 C--N 1.366 1.485 0 CA-C-N 125.184 2.887 . . . . 14.32 110.621 -179.874 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -137.89 -50.8 0.6 Allowed 'General case' 0 C--N 1.358 0.975 0 N-CA-C 104.358 -2.46 . . . . 15.539999999999999 104.358 177.623 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -147.0 110.65 4.94 Favored 'General case' 0 C--N 1.358 0.975 0 N-CA-C 104.49 -2.411 . . . . 17.260000000000002 104.49 177.552 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -149.74 166.45 29.36 Favored 'General case' 0 C--N 1.356 0.883 0 N-CA-C 106.449 -1.686 . . . . 14.380000000000001 106.449 -178.166 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 70.0 mmt-85 -106.3 -154.43 0.52 Allowed 'General case' 0 C--N 1.364 1.209 0 C-N-CA 125.995 1.718 . . . . 13.85 109.232 -172.881 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.74 82.15 1.68 Allowed 'General case' 0 C--N 1.363 1.164 0 C-N-CA 126.398 1.879 . . . . 13.210000000000001 107.088 177.456 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.418 ' HD3' HH11 ' A' ' 13' ' ' ARG . 38.5 mmt180 -142.21 114.83 8.51 Favored 'General case' 0 N--CA 1.418 -2.038 0 C-N-CA 129.839 3.255 . . . . 10.609999999999999 104.943 -179.063 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.418 HH11 ' HD3' ' A' ' 12' ' ' ARG 1.905 27.9 mmm180 -44.75 -115.25 0.0 OUTLIER 'General case' 0 C--N 1.376 1.718 1 C-N-CA 138.506 6.722 . . . . 8.1999999999999993 120.946 -3.774 . . . . . . . . 4 3 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.0 m -102.83 139.32 24.09 Favored 'Isoleucine or valine' 0 C--N 1.355 0.833 0 C-N-CA 128.491 2.716 . . . . 4.5700000000000003 109.55 -177.907 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 mp -158.97 118.19 3.02 Favored 'General case' 0 C--N 1.357 0.902 0 N-CA-C 102.87 -3.011 . . . . 5.2400000000000002 102.87 169.226 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -105.75 95.01 5.5 Favored 'General case' 0 C--N 1.363 1.172 0 C-N-CA 127.641 2.376 . . . . 1.6399999999999999 106.575 172.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 24.7 m -117.32 -167.07 1.25 Allowed 'General case' 0 C--N 1.349 0.573 0 C-N-CA 127.774 2.429 . . . . 1.3100000000000001 107.662 179.565 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.78 -9.04 58.26 Favored 'General case' 0 C--N 1.368 1.386 0 C-N-CA 127.157 2.183 . . . . 3.73 116.285 -170.105 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -82.64 -35.95 26.46 Favored 'General case' 0 C--N 1.365 1.25 0 C-N-CA 126.462 1.905 . . . . 1.1299999999999999 112.552 172.161 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 45.8 mm-40 -73.85 -45.88 48.38 Favored 'General case' 0 C--N 1.369 1.418 0 C-N-CA 128.832 2.853 . . . . 0.85999999999999999 111.757 -175.84 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 59.7 p -73.33 -29.95 63.01 Favored 'General case' 0 C--N 1.366 1.283 0 C-N-CA 126.509 1.924 . . . . 1.1200000000000001 112.469 179.592 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 63.7 t80 -63.49 -52.42 61.39 Favored 'General case' 0 C--N 1.367 1.347 0 C-N-CA 128.188 2.595 . . . . 1.22 113.332 176.64 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -73.01 -38.47 66.57 Favored 'General case' 0 C--N 1.362 1.145 0 N-CA-C 115.612 1.708 . . . . 1.3100000000000001 115.612 -177.676 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 88.1 mt -69.05 -42.94 75.63 Favored 'General case' 0 C--N 1.365 1.256 0 C-N-CA 126.492 1.917 . . . . 1.0900000000000001 114.398 -179.585 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -70.6 -33.93 71.6 Favored 'General case' 0 C--N 1.362 1.11 0 C-N-CA 126.586 1.954 . . . . 1.6599999999999999 115.247 173.017 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . 0.256 2.7 ptp180 -75.07 -34.22 61.76 Favored 'General case' 0 C--N 1.372 1.559 0 N-CA-C 116.56 2.059 . . . . 2.54 116.56 -177.835 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.329 22.9 mmm-85 -75.64 -29.51 59.16 Favored 'General case' 0 C--N 1.371 1.515 0 CA-C-O 118.594 -0.717 . . . . 2.54 112.785 166.23 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -70.01 -21.21 63.23 Favored 'General case' 0 C--N 1.376 1.746 0 C-N-CA 126.558 1.943 . . . . 0.82999999999999996 113.869 -175.192 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.2 mmm180 -70.34 -34.64 72.89 Favored 'General case' 0 C--N 1.366 1.324 0 C-N-CA 126.363 1.865 . . . . 4.5700000000000003 115.542 169.8 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -99.6 -31.04 11.79 Favored 'General case' 0 C--N 1.36 1.029 0 C-N-CA 126.058 1.743 . . . . 2.5299999999999998 113.995 -174.569 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -153.5 147.82 25.9 Favored 'General case' 0 C--N 1.364 1.215 0 CA-C-N 119.9 1.227 . . . . 2.04 107.87 -170.042 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 12.5 mtm105 -105.37 -38.38 6.51 Favored 'General case' 0 C--N 1.365 1.261 0 C-N-CA 125.761 1.624 . . . . 4.25 111.56 -176.088 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -104.77 134.08 48.51 Favored 'General case' 0 C--N 1.363 1.187 0 C-N-CA 124.774 1.23 . . . . 5.9000000000000004 111.81 -173.218 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . 2.041 0.7 OUTLIER -100.45 93.43 5.63 Favored 'General case' 0 C--N 1.361 1.088 0 C-N-CA 129.687 3.195 . . . . 1.28 111.072 -169.633 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.7 p -71.75 145.77 48.55 Favored 'General case' 0 C--N 1.379 1.851 0 CA-C-N 122.786 2.539 . . . . 2.04 111.616 172.175 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.12 -39.96 80.88 Favored Pre-proline 0 C--N 1.365 1.259 0 N-CA-C 119.962 3.319 . . . . 1.23 119.962 -161.972 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -68.23 -21.54 41.67 Favored 'Trans proline' 0 C--N 1.363 1.33 0 C-N-CA 124.554 3.503 . . . . 1.3899999999999999 115.337 174.741 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -104.23 -15.78 15.39 Favored 'General case' 0 C--N 1.363 1.177 0 C-N-CA 125.955 1.702 . . . . 1.72 114.508 176.251 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.8 ttm105 -80.75 -46.13 15.96 Favored 'General case' 0 C--N 1.375 1.69 0 C-N-CA 126.867 2.067 . . . . 3.04 111.343 179.072 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -75.52 -28.01 58.94 Favored 'General case' 0 C--N 1.37 1.492 0 C-N-CA 128.667 2.787 . . . . 1.8600000000000001 112.13 -178.213 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 46.2 t-80 -84.75 -26.26 27.73 Favored 'General case' 0 C--N 1.364 1.207 0 C-N-CA 127.849 2.46 . . . . 2.0099999999999998 111.755 -177.146 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -71.61 -34.91 70.26 Favored 'General case' 0 C--N 1.367 1.365 0 C-N-CA 127.982 2.513 . . . . 1.1899999999999999 112.292 170.679 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.59 -30.72 59.7 Favored 'General case' 0 C--N 1.365 1.262 0 C-N-CA 127.956 2.503 . . . . 1.0700000000000001 114.275 174.789 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 70.8 m -85.09 -26.95 26.62 Favored 'General case' 0 C--N 1.362 1.122 0 C-N-CA 125.952 1.701 . . . . 1.03 113.112 177.893 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 52.1 tp -74.04 -40.99 62.46 Favored 'General case' 0 C--N 1.363 1.157 0 C-N-CA 127.707 2.403 . . . . 2.3500000000000001 112.212 176.298 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.5 pt -101.19 -14.84 7.85 Favored 'Isoleucine or valine' 0 C--N 1.366 1.311 0 C-N-CA 123.759 0.823 . . . . 1.0900000000000001 112.828 -174.176 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 16.5 tpp180 86.75 51.42 0.01 OUTLIER 'General case' 0 C--N 1.369 1.441 0 C-N-CA 128.399 2.68 . . . . 3.6099999999999999 113.462 166.732 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.414 ' HA ' HH12 ' A' ' 13' ' ' ARG . 75.6 mt -129.1 -170.63 2.31 Favored 'General case' 0 C--N 1.362 1.138 0 C-N-CA 124.806 1.243 . . . . 1.1799999999999999 107.788 176.661 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 81.5 p -94.04 146.7 32.12 Favored Pre-proline 0 C--N 1.37 1.488 0 C-N-CA 126.614 1.966 . . . . 1.4099999999999999 108.988 178.631 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_exo -60.58 -21.03 67.34 Favored 'Trans proline' 0 C--N 1.363 1.296 1 C-N-CA 125.983 4.455 . . . . 1.0600000000000001 116.963 172.315 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.9 t -87.53 -29.48 21.3 Favored 'General case' 0 C--N 1.366 1.3 0 C-N-CA 125.801 1.64 . . . . 1.1299999999999999 111.356 -177.193 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -82.6 -30.64 29.36 Favored 'General case' 0 C--N 1.372 1.571 0 CA-C-N 119.465 1.029 . . . . 1.04 112.593 178.098 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 8.0 p -70.16 -42.75 79.19 Favored 'Isoleucine or valine' 0 C--N 1.377 1.791 0 C-N-CA 125.319 1.448 . . . . 1.0900000000000001 112.692 172.798 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.46 -47.29 84.48 Favored 'General case' 0 C--N 1.374 1.639 0 C-N-CA 128.608 2.763 . . . . 1.74 113.255 175.761 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.295 6.5 mt -88.47 -5.63 10.54 Favored 'Isoleucine or valine' 0 C--N 1.365 1.282 0 N-CA-C 115.308 1.596 . . . . 1.3200000000000001 115.308 -179.924 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 53.6 t90 -72.24 -39.15 68.69 Favored 'General case' 0 C--N 1.38 1.914 0 C-N-CA 125.898 1.679 . . . . 0.34000000000000002 110.308 165.283 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -79.5 -34.36 41.34 Favored 'General case' 0 C--N 1.367 1.34 0 C-N-CA 125.624 1.569 . . . . 0.46000000000000002 113.645 178.026 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -65.59 -39.66 91.83 Favored 'General case' 0 C--N 1.356 0.87 0 C-N-CA 128.212 2.605 . . . . 1.3400000000000001 113.524 177.729 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -86.05 -10.3 55.22 Favored 'General case' 0 C--N 1.364 1.219 0 C-N-CA 127.115 2.166 . . . . 0.85999999999999999 112.942 169.589 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . 2.093 0.1 OUTLIER -67.76 -50.6 56.32 Favored 'General case' 0 C--N 1.361 1.097 0 C-N-CA 130.042 3.337 . . . . 2.3900000000000001 114.611 174.441 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . 0.369 0.3 OUTLIER -85.23 2.65 42.9 Favored 'General case' 0 C--N 1.376 1.745 0 N-CA-C 118.304 2.705 . . . . 3.9100000000000001 118.304 -163.823 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.521 ' C ' ' H ' ' A' ' 64' ' ' THR 2.222 1.3 m-85 90.49 117.1 0.03 OUTLIER 'General case' 0 C--N 1.36 1.065 0 N-CA-C 118.48 2.77 . . . . 6.3799999999999999 118.48 116.004 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . 2.117 0.1 OUTLIER -1.81 9.77 0.0 OUTLIER 'General case' 0 N--CA 1.502 2.144 2 C-N-CA 134.313 5.045 . . . . 5.9000000000000004 124.592 101.669 . . . . . . . . 4 3 . 1 . 021 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.521 ' H ' ' C ' ' A' ' 62' ' ' TYR 2.162 71.9 p -44.69 17.51 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.536 1 C-N-CA 137.397 6.279 . . . . 4.0999999999999996 121.726 -165.748 . . . . . . . . 4 3 . 1 . 021 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.8 ptpp? -90.51 63.64 5.59 Favored 'General case' 0 C--N 1.36 1.035 0 C-N-CA 130.094 3.358 . . . . 8.1699999999999999 111.523 177.5 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 5.0 tmt_? -101.91 -48.57 4.22 Favored 'General case' 0 C--N 1.361 1.106 0 C-N-CA 127.12 2.168 . . . . 11.25 105.962 173.834 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . 0.304 . . -100.92 -107.03 0.23 Allowed 'General case' 0 C--N 1.365 1.244 0 N-CA-C 105.503 -2.036 . . . . 9.0999999999999996 105.503 157.765 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -105.43 129.98 53.62 Favored 'General case' 0 C--N 1.369 1.435 1 C-N-CA 137.869 6.468 . . . . 9.6899999999999995 101.831 -24.853 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . 0.34 0.6 OUTLIER -130.46 59.99 1.64 Allowed 'General case' 0 C--N 1.358 0.936 0 CA-C-O 123.935 1.826 . . . . 12.300000000000001 108.823 -174.292 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.6 mp0 -70.78 112.86 7.31 Favored 'General case' 0 C--N 1.367 1.351 0 C-N-CA 127.805 2.442 . . . . 12.73 110.141 148.583 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . 0.25 72.8 mmtt -52.06 115.1 1.54 Allowed 'General case' 0 C--N 1.356 0.868 0 N-CA-C 119.17 3.026 . . . . 16.57 119.17 -132.835 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 78.24 73.55 1.08 Allowed Glycine 0 C--N 1.357 1.74 1 C-N-CA 130.763 4.03 . . . . 15.41 114.381 173.284 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -138.41 -104.17 0.18 Allowed 'General case' 0 N--CA 1.441 -0.884 0 C-N-CA 126.901 2.081 . . . . 14.050000000000001 106.219 -176.692 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 24.9 pt-20 -113.32 75.24 0.91 Allowed 'General case' 0 N--CA 1.442 -0.827 0 C-N-CA 130.381 3.473 . . . . 14.869999999999999 108.077 -173.818 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -151.24 -95.11 0.12 Allowed Glycine 0 C--N 1.349 1.273 0 N-CA-C 106.209 -2.756 . . . . 15.93 106.209 -178.028 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 75.8 t60 -86.6 -39.48 0.54 Allowed Pre-proline 0 C--N 1.363 1.188 0 C-N-CA 126.236 1.814 . . . . 18.370000000000001 113.548 176.61 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo . . . . . 0 C--O 1.261 1.625 0 CA-C-N 124.866 2.774 . . . . 17.68 110.859 171.308 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.318 0 CA-C-O 120.618 0.247 . . . . 17.23 110.895 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.8 m -145.82 -32.57 0.36 Allowed 'General case' 0 C--N 1.364 1.213 0 N-CA-C 106.66 -1.607 . . . . 16.920000000000002 106.66 178.786 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -147.76 148.9 31.45 Favored 'General case' 0 C--N 1.359 0.981 0 N-CA-C 104.244 -2.502 . . . . 17.010000000000002 104.244 -176.223 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 119.12 -94.44 0.58 Allowed Glycine 0 C--N 1.364 2.132 0 N-CA-C 109.442 -1.463 . . . . 15.789999999999999 109.442 -177.929 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . 0.336 26.0 mt -85.68 -46.79 0.6 Allowed Pre-proline 0 C--N 1.371 1.521 0 CA-C-O 116.878 -1.534 . . . . 16.199999999999999 112.468 175.136 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -80.66 104.81 1.63 Allowed 'Trans proline' 0 C--N 1.362 1.259 0 C-N-CA 124.017 3.144 . . . . 14.32 110.255 165.941 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 31.7 p30 -106.25 57.84 0.65 Allowed 'General case' 0 C--N 1.361 1.075 0 C-N-CA 127.158 2.183 . . . . 15.539999999999999 110.361 -177.374 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.0 mptt -111.12 90.46 3.34 Favored 'General case' 0 C--N 1.363 1.178 0 C-N-CA 126.007 1.723 . . . . 17.260000000000002 106.775 -178.325 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 35.5 mmtp -124.96 76.34 1.52 Allowed 'General case' 0 C--N 1.362 1.127 0 N-CA-C 106.227 -1.768 . . . . 14.380000000000001 106.227 -179.127 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 30.9 ptt-85 -159.74 152.13 21.04 Favored 'General case' 0 C--N 1.357 0.924 0 N-CA-C 107.117 -1.438 . . . . 13.85 107.117 -177.926 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.466 ' HG3' ' H ' ' A' ' 12' ' ' ARG . 29.9 pttt -140.22 -95.65 0.15 Allowed 'General case' 0 C--N 1.358 0.975 0 N-CA-C 104.632 -2.359 . . . . 13.210000000000001 104.632 177.916 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.466 ' H ' ' HG3' ' A' ' 11' ' ' LYS . 22.5 ttp180 57.92 118.04 0.01 OUTLIER 'General case' 0 C--N 1.367 1.331 0 C-N-CA 130.256 3.422 . . . . 10.609999999999999 120.001 164.406 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 50.4 mmm-85 -96.61 135.77 38.07 Favored 'General case' 0 C--N 1.367 1.342 0 C-N-CA 126.212 1.805 . . . . 8.1999999999999993 106.614 167.596 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.7 m -132.7 126.62 54.8 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.173 0 C-N-CA 126.431 1.892 . . . . 4.5700000000000003 106.874 -155.723 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.1 mp -141.13 123.56 15.84 Favored 'General case' 0 N--CA 1.443 -0.79 0 CA-C-N 112.122 -2.308 . . . . 5.2400000000000002 105.11 -178.27 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 9.4 m-30 -90.49 140.31 29.86 Favored 'General case' 0 C--N 1.371 1.515 0 C-N-CA 126.982 2.113 . . . . 1.6399999999999999 110.283 -177.953 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.8 m -112.13 -168.26 1.29 Allowed 'General case' 0 C--N 1.364 1.196 0 C-N-CA 127.159 2.184 . . . . 1.3100000000000001 107.29 173.828 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.12 11.92 8.82 Favored 'General case' 0 C--N 1.368 1.405 0 C-N-CA 126.645 1.978 . . . . 3.73 115.027 -173.457 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.22 -40.76 16.29 Favored 'General case' 0 C--N 1.362 1.113 0 C-N-CA 126.495 1.918 . . . . 1.1299999999999999 112.577 160.904 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 42.5 mm-40 -77.57 -54.16 6.73 Favored 'General case' 0 C--N 1.369 1.427 0 C-N-CA 129.046 2.938 . . . . 0.85999999999999999 111.675 -167.852 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 74.1 p -64.96 -40.51 95.12 Favored 'General case' 0 C--N 1.37 1.466 0 C-N-CA 128.539 2.736 . . . . 1.1200000000000001 111.821 178.941 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 43.7 t80 -54.96 -56.46 19.38 Favored 'General case' 0 C--N 1.367 1.34 0 C-N-CA 128.587 2.755 . . . . 1.22 113.785 175.167 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -65.39 -40.14 93.11 Favored 'General case' 0 C--N 1.368 1.404 0 C-N-CA 126.592 1.957 . . . . 1.3100000000000001 115.495 -176.475 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 97.5 mt -66.06 -38.94 89.59 Favored 'General case' 0 C--N 1.365 1.252 0 N-CA-C 115.717 1.747 . . . . 1.0900000000000001 115.717 178.913 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -76.55 -28.05 56.13 Favored 'General case' 0 C--N 1.36 1.044 0 C-N-CA 127.431 2.293 . . . . 1.6599999999999999 114.825 176.426 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . 0.264 12.7 mtm180 -67.78 -52.52 36.27 Favored 'General case' 0 C--N 1.376 1.741 0 C-N-CA 124.033 0.933 . . . . 2.54 112.31 176.723 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.584 0.2 OUTLIER -85.52 -5.67 59.26 Favored 'General case' 0 C--N 1.38 1.927 0 N-CA-C 113.458 0.911 . . . . 2.54 113.458 -173.484 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -74.09 -30.99 62.62 Favored 'General case' 0 C--N 1.376 1.725 0 C-N-CA 127.109 2.164 . . . . 0.82999999999999996 113.725 161.972 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.417 HH22 ' HG1' ' A' ' 64' ' ' THR . 4.4 mmt-85 -74.44 -30.52 61.93 Favored 'General case' 0 C--N 1.369 1.448 0 C-N-CA 125.939 1.696 . . . . 4.5700000000000003 114.361 169.139 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 66.6 tp60 -93.7 -24.47 17.84 Favored 'General case' 0 C--N 1.364 1.23 0 C-N-CA 127.1 2.16 . . . . 2.5299999999999998 112.903 -175.276 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 41.8 mm-40 -138.77 171.11 14.82 Favored 'General case' 0 C--N 1.366 1.311 0 N-CA-C 107.22 -1.4 . . . . 2.04 107.22 -174.221 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 79.0 mtt-85 -107.18 -41.67 5.07 Favored 'General case' 0 C--N 1.36 1.044 0 C-N-CA 125.929 1.692 . . . . 4.25 110.547 162.197 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 49.9 p90 -136.03 150.69 49.29 Favored 'General case' 0 C--N 1.359 1.015 0 C-N-CA 127.478 2.311 . . . . 5.9000000000000004 106.531 -163.37 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -157.58 121.19 4.1 Favored 'General case' 0 C--N 1.356 0.85 0 N-CA-C 106.135 -1.802 . . . . 1.28 106.135 -168.508 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.4 p -94.32 163.31 13.48 Favored 'General case' 0 C--N 1.367 1.361 0 C-N-CA 127.577 2.351 . . . . 2.04 110.2 -173.839 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -43.45 -38.41 3.72 Favored Pre-proline 0 C--N 1.367 1.34 0 N-CA-C 121.34 3.83 . . . . 1.23 121.34 -168.532 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -69.55 -34.36 15.46 Favored 'Trans proline' 0 C--N 1.36 1.158 0 CA-C-N 125.691 3.068 . . . . 1.3899999999999999 114.92 -179.825 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -93.56 -33.56 13.69 Favored 'General case' 0 C--N 1.366 1.32 0 C-N-CA 125.921 1.689 . . . . 1.72 113.542 176.402 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 41.4 ttt180 -63.26 -43.32 98.29 Favored 'General case' 0 C--N 1.369 1.43 0 C-N-CA 128.814 2.846 . . . . 3.04 114.93 -179.835 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 -84.6 -19.66 32.67 Favored 'General case' 0 C--N 1.359 1.003 0 C-N-CA 128.136 2.574 . . . . 1.8600000000000001 112.165 -177.945 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 56.7 t-80 -77.83 -24.95 48.51 Favored 'General case' 0 C--N 1.367 1.361 0 C-N-CA 128.364 2.665 . . . . 2.0099999999999998 112.411 174.39 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.36 -55.79 10.78 Favored 'General case' 0 C--N 1.369 1.421 0 C-N-CA 129.672 3.189 . . . . 1.1899999999999999 110.891 172.441 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.53 -28.59 70.05 Favored 'General case' 0 C--N 1.356 0.852 0 C-N-CA 129.565 3.146 . . . . 1.0700000000000001 116.323 178.183 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 66.1 m -85.18 -38.03 19.47 Favored 'General case' 0 C--N 1.362 1.123 0 C-N-CA 125.511 1.524 . . . . 1.03 114.024 177.769 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 83.9 mt -84.8 -21.85 29.77 Favored 'General case' 0 C--N 1.361 1.091 0 C-N-CA 125.241 1.417 . . . . 2.3500000000000001 113.737 179.284 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -97.93 -20.23 5.68 Favored 'Isoleucine or valine' 0 C--N 1.367 1.339 0 C-N-CA 124.672 1.189 . . . . 1.0900000000000001 110.623 176.689 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.454 HH11 HH11 ' A' ' 12' ' ' ARG . 0.3 OUTLIER 82.27 61.66 0.02 OUTLIER 'General case' 0 C--N 1.371 1.543 0 C-N-CA 129.275 3.03 . . . . 3.6099999999999999 112.689 165.909 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 93.2 mt -135.93 -170.45 2.64 Favored 'General case' 0 C--N 1.359 0.979 0 C-N-CA 124.895 1.278 . . . . 1.1799999999999999 108.56 176.926 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 63.3 p -96.42 148.54 34.63 Favored Pre-proline 0 C--N 1.37 1.491 0 C-N-CA 127.039 2.136 . . . . 1.4099999999999999 109.556 -178.095 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_exo -61.89 -21.96 73.34 Favored 'Trans proline' 0 C--N 1.367 1.511 1 C-N-CA 126.13 4.553 . . . . 1.0600000000000001 116.09 171.983 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.3 t -86.37 -29.1 23.2 Favored 'General case' 0 C--N 1.365 1.282 0 C-N-CA 126.247 1.819 . . . . 1.1299999999999999 111.176 -177.19 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -81.95 -31.35 31.29 Favored 'General case' 0 C--N 1.373 1.591 0 CA-C-N 119.393 0.997 . . . . 1.04 112.818 177.622 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 9.0 p -68.5 -43.04 84.05 Favored 'Isoleucine or valine' 0 C--N 1.376 1.747 0 C-N-CA 125.037 1.335 . . . . 1.0900000000000001 112.968 172.26 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.42 -37.07 82.48 Favored 'General case' 0 C--N 1.378 1.825 0 C-N-CA 125.046 1.338 . . . . 1.74 114.046 177.52 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.301 6.9 mt -88.21 -5.96 10.59 Favored 'Isoleucine or valine' 0 C--N 1.372 1.581 0 N-CA-C 114.822 1.415 . . . . 1.3200000000000001 114.822 176.588 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 49.7 t90 -75.37 -41.47 56.37 Favored 'General case' 0 C--N 1.379 1.877 0 C-N-CA 125.469 1.507 . . . . 0.34000000000000002 110.781 166.065 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -78.0 -17.5 57.05 Favored 'General case' 0 C--N 1.368 1.401 0 C-N-CA 125.053 1.341 . . . . 0.46000000000000002 113.751 177.686 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 20.7 tt0 -76.76 -38.45 54.09 Favored 'General case' 0 C--N 1.363 1.158 0 C-N-CA 127.428 2.291 . . . . 1.3400000000000001 112.398 172.986 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 62.3 m-20 -91.98 -30.3 16.15 Favored 'General case' 0 C--N 1.365 1.261 0 C-N-CA 125.77 1.628 . . . . 0.85999999999999999 113.856 -173.226 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -90.27 32.78 0.91 Allowed 'General case' 0 C--N 1.364 1.205 0 C-N-CA 125.288 1.435 . . . . 2.3900000000000001 114.338 -172.606 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . 2.391 0.1 OUTLIER -33.2 -38.84 0.04 OUTLIER 'General case' 0 C--N 1.379 1.886 1 C-N-CA 132.167 4.187 . . . . 3.9100000000000001 118.447 177.426 . . . . . . . . 4 3 . 1 . 022 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . 2.343 33.8 m-85 92.36 -42.97 0.01 OUTLIER 'General case' 0 C--N 1.372 1.582 0 N-CA-C 115.458 1.651 . . . . 6.3799999999999999 115.458 148.817 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . 0.362 0.1 OUTLIER 42.97 33.14 0.48 Allowed 'General case' 0 N--CA 1.496 1.844 0 C-N-CA 129.487 3.115 . . . . 5.9000000000000004 116.899 -163.323 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.417 ' HG1' HH22 ' A' ' 29' ' ' ARG 2.137 0.5 OUTLIER -91.36 -40.3 11.54 Favored 'General case' 0 C--N 1.363 1.175 0 C-N-CA 129.184 2.994 . . . . 4.0999999999999996 111.562 -160.749 . . . . . . . . 4 4 . 1 . 022 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -90.03 25.68 2.07 Favored 'General case' 0 C--N 1.369 1.414 0 C-N-CA 127.271 2.229 . . . . 8.1699999999999999 112.719 -174.119 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.8 ppt_? -140.71 128.13 21.26 Favored 'General case' 0 C--N 1.358 0.952 0 N-CA-C 102.811 -3.033 . . . . 11.25 102.811 166.028 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -100.49 95.72 6.91 Favored 'General case' 0 C--N 1.361 1.1 0 C-N-CA 126.621 1.968 . . . . 9.0999999999999996 110.233 -164.753 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.95 17.87 22.97 Favored 'General case' 0 C--N 1.357 0.928 0 C-N-CA 127.647 2.379 . . . . 9.6899999999999995 115.731 -170.271 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . 2.277 0.1 OUTLIER -65.97 -42.1 90.32 Favored 'General case' 0 CA--C 1.482 -1.638 1 C-N-CA 133.819 4.848 . . . . 12.300000000000001 117.017 -175.748 . . . . . . . . 4 3 . 1 . 022 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . 1.667 10.1 pt-20 -44.52 -71.21 0.08 Allowed 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 120.029 3.344 . . . . 12.73 120.029 -94.165 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.9 114.28 20.79 Favored 'General case' 0 N--CA 1.442 -0.873 0 C-N-CA 124.982 1.313 . . . . 16.57 111.039 170.206 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 72.72 74.68 0.76 Allowed Glycine 0 C--N 1.357 1.74 0 C-N-CA 129.351 3.358 . . . . 15.41 114.635 169.341 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . 0.278 3.9 p90 -71.37 -64.52 0.9 Allowed 'General case' 0 C--N 1.357 0.921 0 C-N-CA 127.778 2.431 . . . . 14.050000000000001 114.504 -177.94 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . 2.492 22.8 pt-20 167.45 -91.3 0.0 OUTLIER 'General case' 0 N--CA 1.433 -1.276 0 C-N-CA 130.122 3.369 . . . . 14.869999999999999 102.657 161.55 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 102.83 -71.75 0.3 Allowed Glycine 0 C--N 1.359 1.825 0 C-N-CA 126.573 2.035 . . . . 15.93 109.279 -178.077 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 43.0 p-80 -109.03 162.88 18.43 Favored Pre-proline 0 C--N 1.361 1.081 0 C-N-CA 127.521 2.329 . . . . 18.370000000000001 107.58 176.79 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_exo . . . . . 0 C--O 1.262 1.676 0 C-N-CA 123.632 2.888 . . . . 17.68 111.192 173.622 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.273 0 CA-C-O 120.703 0.287 . . . . 17.23 110.229 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.3 p -151.27 26.01 0.7 Allowed 'General case' 0 C--N 1.358 0.943 0 N-CA-C 106.912 -1.514 . . . . 16.920000000000002 106.912 -178.833 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -119.36 100.42 7.29 Favored 'General case' 0 C--N 1.372 1.565 0 C-N-CA 124.507 1.123 . . . . 17.010000000000002 108.282 -172.062 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 119.16 -107.23 1.35 Allowed Glycine 0 C--N 1.363 2.078 0 N-CA-C 108.265 -1.934 . . . . 15.789999999999999 108.265 174.427 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -145.98 66.45 11.61 Favored Pre-proline 0 C--N 1.358 0.961 0 C-N-CA 124.576 1.15 . . . . 16.199999999999999 108.675 173.738 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -88.97 154.08 5.85 Favored 'Trans proline' 0 C--N 1.365 1.404 0 C-N-CA 123.289 2.659 . . . . 14.32 110.31 -176.24 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 6.8 p-10 -95.81 3.52 53.66 Favored 'General case' 0 C--N 1.365 1.26 0 C-N-CA 125.944 1.698 . . . . 15.539999999999999 112.596 -179.869 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.1 pttm -104.83 120.93 42.59 Favored 'General case' 0 C--N 1.365 1.272 0 C-N-CA 127.761 2.424 . . . . 17.260000000000002 106.833 176.58 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . 0.258 51.5 mtmt 77.71 38.79 0.19 Allowed 'General case' 0 C--N 1.366 1.306 0 C-N-CA 128.901 2.88 . . . . 14.380000000000001 111.465 -171.488 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -144.51 67.56 1.26 Allowed 'General case' 0 C--N 1.357 0.913 0 N-CA-C 104.205 -2.517 . . . . 13.85 104.205 -178.873 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.407 ' H ' ' H ' ' A' ' 12' ' ' ARG . 53.3 mtpt -148.59 -26.47 0.32 Allowed 'General case' 0 C--N 1.355 0.842 0 N-CA-C 105.768 -1.938 . . . . 13.210000000000001 105.768 175.957 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.407 ' H ' ' H ' ' A' ' 11' ' ' LYS 2.226 1.0 OUTLIER -32.28 -68.1 0.1 Allowed 'General case' 0 C--N 1.374 1.633 1 C-N-CA 132.582 4.353 . . . . 10.609999999999999 119.738 -177.901 . . . . . . . . 5 4 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -77.13 156.54 31.57 Favored 'General case' 0 C--N 1.369 1.423 0 C-N-CA 127.88 2.472 . . . . 8.1999999999999993 113.681 -171.609 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.0 m -107.68 136.53 42.68 Favored 'Isoleucine or valine' 0 C--N 1.358 0.978 0 C-N-CA 125.532 1.533 . . . . 4.5700000000000003 109.936 -158.36 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.2 mp -150.78 117.36 5.76 Favored 'General case' 0 N--CA 1.442 -0.839 0 N-CA-C 103.706 -2.701 . . . . 5.2400000000000002 103.706 174.806 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -106.05 90.4 3.36 Favored 'General case' 0 C--N 1.365 1.266 0 C-N-CA 127.314 2.246 . . . . 1.6399999999999999 107.107 170.968 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 24.3 m -114.34 -167.63 1.25 Allowed 'General case' 0 C--N 1.348 0.513 0 C-N-CA 128.932 2.893 . . . . 1.3100000000000001 107.998 -179.306 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.76 -4.25 48.4 Favored 'General case' 0 C--N 1.369 1.414 0 C-N-CA 127.245 2.218 . . . . 3.73 115.705 -172.591 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -79.31 -40.71 29.73 Favored 'General case' 0 C--N 1.366 1.283 0 C-N-CA 126.929 2.092 . . . . 1.1299999999999999 112.14 168.769 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 -73.99 -49.13 25.82 Favored 'General case' 0 C--N 1.365 1.258 0 C-N-CA 129.388 3.075 . . . . 0.85999999999999999 113.075 -172.472 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 66.9 p -73.28 -29.13 62.52 Favored 'General case' 0 C--N 1.364 1.221 0 C-N-CA 126.182 1.793 . . . . 1.1200000000000001 112.52 -178.061 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -65.69 -53.05 46.34 Favored 'General case' 0 C--N 1.369 1.454 0 C-N-CA 128.47 2.708 . . . . 1.22 112.945 176.423 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -72.47 -36.18 68.4 Favored 'General case' 0 C--N 1.361 1.098 0 C-N-CA 125.973 1.709 . . . . 1.3100000000000001 115.287 -176.632 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 90.3 mt -71.17 -41.3 70.55 Favored 'General case' 0 C--N 1.361 1.073 0 C-N-CA 126.873 2.069 . . . . 1.0900000000000001 114.61 178.85 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -71.74 -31.35 66.59 Favored 'General case' 0 C--N 1.362 1.126 0 C-N-CA 125.893 1.677 . . . . 1.6599999999999999 115.455 172.418 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.1 ptm180 -78.52 -29.38 46.5 Favored 'General case' 0 C--N 1.371 1.539 0 N-CA-C 115.267 1.58 . . . . 2.54 115.267 -176.938 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.258 36.1 mmm-85 -78.74 -26.28 44.62 Favored 'General case' 0 C--N 1.369 1.455 0 CA-C-O 118.384 -0.817 . . . . 2.54 112.724 164.057 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -71.23 -19.84 62.32 Favored 'General case' 0 C--N 1.376 1.747 0 CA-C-N 120.641 1.564 . . . . 0.82999999999999996 114.164 178.365 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 19.8 mmm-85 -74.16 -44.61 52.9 Favored 'General case' 0 C--N 1.366 1.297 0 C-N-CA 126.685 1.994 . . . . 4.5700000000000003 113.923 173.951 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 63.9 tp60 -93.25 -22.42 19.02 Favored 'General case' 0 N--CA 1.435 -1.188 0 C-N-CA 128.063 2.545 . . . . 2.5299999999999998 112.748 -173.054 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -156.16 170.49 22.1 Favored 'General case' 0 C--N 1.365 1.276 0 O-C-N 121.174 -0.954 . . . . 2.04 109.573 178.516 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.479 ' HG3' HH11 ' A' ' 32' ' ' ARG . 8.2 mtm-85 -105.84 -34.27 7.71 Favored 'General case' 0 C--N 1.363 1.185 0 C-N-CA 127.287 2.235 . . . . 4.25 109.06 175.251 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -134.03 142.84 47.75 Favored 'General case' 0 C--N 1.357 0.893 0 C-N-CA 127.099 2.16 . . . . 5.9000000000000004 105.808 -173.862 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . 0.295 0.0 OUTLIER -106.28 -106.1 0.32 Allowed 'General case' 0 CA--C 1.555 1.151 0 N-CA-C 102.925 -2.991 . . . . 1.28 102.925 -163.234 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . 2.407 13.1 m -156.09 -159.55 0.91 Allowed 'General case' 0 C--N 1.376 1.718 0 N-CA-C 101.677 -3.453 . . . . 2.04 101.677 140.895 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . 0.27 . . -76.18 -53.85 2.12 Favored Pre-proline 0 C--N 1.365 1.265 0 CA-C-O 116.276 -1.821 . . . . 1.23 115.631 -177.667 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -72.76 -10.26 24.77 Favored 'Trans proline' 0 C--N 1.364 1.393 0 C-N-CA 123.83 3.02 . . . . 1.3899999999999999 115.312 -178.943 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -99.29 -22.47 15.58 Favored 'General case' 0 C--N 1.361 1.065 0 C-N-CA 127.259 2.224 . . . . 1.72 113.539 179.5 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.2 tmm_? -83.75 -30.12 26.92 Favored 'General case' 0 C--N 1.378 1.822 0 CA-C-N 120.827 1.649 . . . . 3.04 111.157 171.5 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -81.88 -23.02 36.56 Favored 'General case' 0 C--N 1.375 1.696 0 C-N-CA 124.397 1.079 . . . . 1.8600000000000001 112.447 178.281 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 46.0 t-80 -85.06 -26.54 26.92 Favored 'General case' 0 C--N 1.364 1.214 0 C-N-CA 127.7 2.4 . . . . 2.0099999999999998 111.818 178.017 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -75.59 -26.76 58.15 Favored 'General case' 0 C--N 1.366 1.318 0 C-N-CA 128.568 2.747 . . . . 1.1899999999999999 111.712 170.894 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -80.75 -31.27 35.97 Favored 'General case' 0 C--N 1.366 1.291 0 C-N-CA 126.995 2.118 . . . . 1.0700000000000001 112.822 175.758 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 55.5 m -80.69 -25.65 38.05 Favored 'General case' 0 C--N 1.361 1.105 0 C-N-CA 125.733 1.613 . . . . 1.03 113.6 173.836 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 5.9 tt -75.06 -39.33 60.95 Favored 'General case' 0 C--N 1.362 1.142 0 C-N-CA 128.008 2.523 . . . . 2.3500000000000001 112.434 175.357 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.8 pt -101.71 -14.76 7.97 Favored 'Isoleucine or valine' 0 C--N 1.367 1.369 0 C-N-CA 124.244 1.018 . . . . 1.0900000000000001 112.83 -172.809 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 9.3 tpt180 89.5 33.96 0.02 OUTLIER 'General case' 0 C--N 1.37 1.482 0 C-N-CA 129.463 3.105 . . . . 3.6099999999999999 112.318 165.408 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -118.28 178.36 4.47 Favored 'General case' 0 C--N 1.357 0.906 0 C-N-CA 127.492 2.317 . . . . 1.1799999999999999 107.678 -174.162 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 81.1 p -93.11 143.15 26.31 Favored Pre-proline 0 C--N 1.364 1.212 0 C-N-CA 126.35 1.86 . . . . 1.4099999999999999 109.526 179.886 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_exo -60.98 -18.02 55.08 Favored 'Trans proline' 0 C--N 1.368 1.595 1 C-N-CA 126.26 4.64 . . . . 1.0600000000000001 116.57 172.457 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 14.0 t -86.05 -31.48 21.94 Favored 'General case' 0 C--N 1.366 1.288 0 C-N-CA 127.234 2.214 . . . . 1.1299999999999999 111.11 -178.758 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -80.8 -34.76 33.82 Favored 'General case' 0 C--N 1.371 1.535 0 O-C-N 121.014 -1.054 . . . . 1.04 112.163 178.646 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 6.4 p -70.71 -36.32 64.53 Favored 'Isoleucine or valine' 0 C--N 1.378 1.82 0 C-N-CA 125.497 1.519 . . . . 1.0900000000000001 112.707 173.766 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.04 -49.31 76.2 Favored 'General case' 0 C--N 1.369 1.451 0 C-N-CA 128.274 2.63 . . . . 1.74 113.675 170.316 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.286 5.2 mt -83.4 -7.61 10.92 Favored 'Isoleucine or valine' 0 C--N 1.368 1.403 0 N-CA-C 115.407 1.632 . . . . 1.3200000000000001 115.407 178.847 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 23.1 t90 -75.11 -42.11 57.19 Favored 'General case' 0 C--N 1.377 1.779 0 C-N-CA 125.802 1.641 . . . . 0.34000000000000002 110.976 168.728 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -85.0 -12.49 53.11 Favored 'General case' 0 C--N 1.368 1.373 0 C-N-CA 126.699 2.0 . . . . 0.46000000000000002 113.261 179.704 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 20.7 tt0 -78.16 -40.23 38.55 Favored 'General case' 0 C--N 1.36 1.045 0 C-N-CA 127.311 2.244 . . . . 1.3400000000000001 112.219 173.406 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 70.8 m-20 -87.65 -25.21 23.64 Favored 'General case' 0 C--N 1.368 1.382 0 C-N-CA 125.78 1.632 . . . . 0.85999999999999999 113.675 -175.263 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 6.4 m80 -75.83 -34.72 60.12 Favored 'General case' 0 C--N 1.363 1.191 0 N-CA-C 115.909 1.818 . . . . 2.3900000000000001 115.909 -178.419 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 17.3 ptm180 -85.95 45.49 1.22 Allowed 'General case' 0 C--N 1.363 1.166 0 C-N-CA 126.109 1.764 . . . . 3.9100000000000001 115.525 -176.581 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . 2.449 0.1 OUTLIER 164.7 109.95 0.0 OUTLIER 'General case' 0 C--N 1.364 1.218 0 N-CA-C 105.457 -2.053 . . . . 6.3799999999999999 105.457 146.939 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 101.42 70.05 0.0 OUTLIER 'General case' 0 C--N 1.357 0.9 1 C-N-CA 132.391 4.277 . . . . 5.9000000000000004 103.622 -177.323 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . 0.257 3.1 m -93.38 -32.87 14.09 Favored 'General case' 0 C--N 1.368 1.375 0 C-N-CA 125.419 1.488 . . . . 4.0999999999999996 112.583 -160.2 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.56 62.66 4.58 Favored 'General case' 0 C--N 1.372 1.561 0 C-N-CA 128.344 2.658 . . . . 8.1699999999999999 110.145 167.39 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.5 tpp85 -137.1 48.94 2.05 Favored 'General case' 0 C--N 1.36 1.051 0 N-CA-C 107.535 -1.283 . . . . 11.25 107.535 -174.647 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -100.6 -23.26 14.71 Favored 'General case' 0 C--N 1.361 1.086 0 C-N-CA 127.209 2.204 . . . . 9.0999999999999996 110.012 173.457 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . 2.298 5.8 pt20 -63.37 -31.09 72.15 Favored 'General case' 0 C--N 1.374 1.637 0 C-N-CA 130.728 3.611 . . . . 9.6899999999999995 115.097 172.747 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -135.07 74.54 1.52 Allowed 'General case' 0 N--CA 1.432 -1.332 0 C-N-CA 128.716 2.806 . . . . 12.300000000000001 104.904 179.653 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -95.92 133.4 40.15 Favored 'General case' 0 N--CA 1.436 -1.144 0 CA-C-N 110.82 -2.9 . . . . 12.73 105.068 149.941 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.45 120.43 4.12 Favored 'General case' 0 C--N 1.358 0.977 0 C-N-CA 130.437 3.495 . . . . 16.57 115.671 -162.735 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 164.57 -94.2 0.11 Allowed Glycine 0 N--CA 1.426 -1.98 0 N-CA-C 104.814 -3.315 . . . . 15.41 104.814 -148.213 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . 2.621 0.0 OUTLIER 169.37 -3.67 0.0 OUTLIER 'General case' 0 C--N 1.365 1.246 0 N-CA-C 121.429 3.862 . . . . 14.050000000000001 121.429 158.6 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 58.1 mm-40 -110.71 70.46 0.72 Allowed 'General case' 0 C--N 1.352 0.687 0 CA-C-N 122.709 2.504 . . . . 14.869999999999999 110.43 -156.912 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -167.94 96.21 0.12 Allowed Glycine 0 C--N 1.352 1.423 0 N-CA-C 107.731 -2.148 . . . . 15.93 107.731 176.334 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 59.6 t-80 -115.91 137.79 23.57 Favored Pre-proline 0 C--N 1.361 1.077 0 N-CA-C 106.657 -1.609 . . . . 18.370000000000001 106.657 179.329 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo . . . . . 0 C--O 1.261 1.669 0 C-N-CA 123.844 3.03 . . . . 17.68 109.347 176.535 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 112.288 0.477 . . . . 17.23 112.288 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.4 p -158.5 19.95 0.22 Allowed 'General case' 0 C--N 1.363 1.164 0 C-N-CA 123.837 0.855 . . . . 16.920000000000002 109.379 -175.202 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -127.32 67.9 1.29 Allowed 'General case' 0 C--N 1.367 1.36 0 N-CA-C 106.38 -1.711 . . . . 17.010000000000002 106.38 177.022 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.68 126.4 2.67 Favored Glycine 0 C--N 1.362 2.02 0 C-N-CA 126.81 2.148 . . . . 15.789999999999999 112.6 -178.766 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -164.6 86.88 1.1 Allowed Pre-proline 0 C--N 1.363 1.152 0 N-CA-C 105.877 -1.897 . . . . 16.199999999999999 105.877 179.585 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -79.44 149.39 82.58 Favored 'Cis proline' 0 C--N 1.361 1.199 0 CA-C-N 122.071 1.775 . . . . 14.32 111.561 7.232 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 43.1 t30 -101.08 40.18 1.31 Allowed 'General case' 0 C--N 1.366 1.309 0 C-N-CA 126.443 1.897 . . . . 15.539999999999999 109.715 -175.371 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 65.0 mttp -139.97 -123.91 0.11 Allowed 'General case' 0 C--N 1.361 1.099 0 N-CA-C 103.486 -2.783 . . . . 17.260000000000002 103.486 173.701 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.17 157.09 35.33 Favored 'General case' 0 C--N 1.359 0.997 0 N-CA-C 106.54 -1.652 . . . . 14.380000000000001 106.54 176.134 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.9 mmp_? -116.12 138.5 51.19 Favored 'General case' 0 C--N 1.36 1.034 0 C-N-CA 126.121 1.768 . . . . 13.85 106.371 174.026 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.408 ' H ' ' HD2' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -103.92 -40.41 6.23 Favored 'General case' 0 C--N 1.361 1.095 0 C-N-CA 127.133 2.173 . . . . 13.210000000000001 108.715 -179.533 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 17.3 ttt85 58.64 -80.23 0.02 OUTLIER 'General case' 0 C--N 1.364 1.222 0 N-CA-C 121.555 3.909 . . . . 10.609999999999999 121.555 153.707 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 46.1 mmm-85 -87.49 171.86 10.21 Favored 'General case' 0 C--N 1.366 1.318 0 C-N-CA 127.409 2.284 . . . . 8.1999999999999993 112.071 -162.542 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.8 m -100.27 139.33 22.0 Favored 'Isoleucine or valine' 0 C--N 1.359 1.004 0 C-N-CA 127.479 2.312 . . . . 4.5700000000000003 110.53 -162.541 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.3 mp -143.83 139.15 29.15 Favored 'General case' 0 C--N 1.357 0.924 0 N-CA-C 104.419 -2.438 . . . . 5.2400000000000002 104.419 173.215 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -106.19 97.68 7.45 Favored 'General case' 0 C--N 1.364 1.196 0 C-N-CA 127.585 2.354 . . . . 1.6399999999999999 107.201 168.802 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 30.1 m -123.07 -166.63 1.48 Allowed 'General case' 0 C--N 1.348 0.538 0 C-N-CA 127.899 2.48 . . . . 1.3100000000000001 107.098 176.685 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.7 pptp? -73.69 -13.41 60.98 Favored 'General case' 0 C--N 1.368 1.395 0 C-N-CA 127.367 2.267 . . . . 3.73 116.669 -169.157 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -78.88 -34.63 44.69 Favored 'General case' 0 C--N 1.366 1.326 0 C-N-CA 126.726 2.01 . . . . 1.1299999999999999 112.688 173.609 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 42.4 mm-40 -78.16 -41.83 33.55 Favored 'General case' 0 C--N 1.367 1.345 0 C-N-CA 128.136 2.574 . . . . 0.85999999999999999 111.038 -173.502 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 71.8 p -74.52 -30.79 61.91 Favored 'General case' 0 C--N 1.365 1.281 0 C-N-CA 126.777 2.031 . . . . 1.1200000000000001 112.147 178.812 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 49.9 t80 -64.28 -50.75 66.67 Favored 'General case' 0 C--N 1.368 1.411 0 C-N-CA 127.643 2.377 . . . . 1.22 112.855 176.252 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -75.14 -35.65 61.64 Favored 'General case' 0 C--N 1.359 1.01 0 N-CA-C 115.502 1.668 . . . . 1.3100000000000001 115.502 -176.559 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 89.3 mt -69.83 -43.48 71.92 Favored 'General case' 0 C--N 1.364 1.233 0 C-N-CA 126.329 1.852 . . . . 1.0900000000000001 114.422 177.906 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 77.0 mt-10 -70.09 -31.8 69.56 Favored 'General case' 0 C--N 1.362 1.145 0 C-N-CA 126.711 2.004 . . . . 1.6599999999999999 115.279 173.802 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.6 ptm180 -77.53 -29.32 52.3 Favored 'General case' 0 C--N 1.369 1.441 0 N-CA-C 115.773 1.768 . . . . 2.54 115.773 -179.713 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.258 27.6 mmm-85 -77.56 -25.61 50.23 Favored 'General case' 0 C--N 1.369 1.445 0 C-N-CA 123.803 0.841 . . . . 2.54 112.323 165.523 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -68.8 -46.37 68.86 Favored 'General case' 0 C--N 1.375 1.706 0 C-N-CA 126.757 2.023 . . . . 0.82999999999999996 113.737 -177.52 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . 2.348 11.3 mmm-85 -58.71 -25.71 63.16 Favored 'General case' 0 N--CA 1.496 1.866 0 C-N-CA 128.491 2.717 . . . . 4.5700000000000003 114.3 176.184 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 65.7 tp60 -97.95 -30.41 12.74 Favored 'General case' 0 C--N 1.37 1.472 0 C-N-CA 127.667 2.387 . . . . 2.5299999999999998 112.748 -177.217 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -170.96 150.52 3.13 Favored 'General case' 0 C--N 1.37 1.473 0 N-CA-C 107.086 -1.45 . . . . 2.04 107.086 -167.534 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.9 mtm105 -100.89 -34.14 9.92 Favored 'General case' 0 C--N 1.362 1.133 0 C-N-CA 125.173 1.389 . . . . 4.25 110.438 -177.937 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 58.4 m-85 -117.28 137.01 52.69 Favored 'General case' 0 C--N 1.357 0.919 0 C-N-CA 125.878 1.671 . . . . 5.9000000000000004 108.678 -179.826 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -144.26 121.72 11.7 Favored 'General case' 0 CA--C 1.495 -1.138 0 N-CA-C 101.027 -3.694 . . . . 1.28 101.027 -173.023 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.6 p -83.9 164.91 19.14 Favored 'General case' 0 C--N 1.364 1.221 0 C-N-CA 126.94 2.096 . . . . 2.04 111.081 -168.185 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -41.3 -45.23 6.9 Favored Pre-proline 0 C--N 1.366 1.307 0 N-CA-C 120.733 3.605 . . . . 1.23 120.733 -174.048 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -71.78 -29.88 15.03 Favored 'Trans proline' 0 C--N 1.36 1.149 0 C-N-CA 124.292 3.328 . . . . 1.3899999999999999 114.229 177.723 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -94.51 -18.63 21.27 Favored 'General case' 0 C--N 1.364 1.211 0 C-N-CA 126.009 1.724 . . . . 1.72 113.963 176.596 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 -81.44 -40.37 23.45 Favored 'General case' 0 C--N 1.373 1.611 0 C-N-CA 127.106 2.163 . . . . 3.04 111.241 -178.107 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -84.71 -17.69 37.59 Favored 'General case' 0 C--N 1.368 1.399 0 C-N-CA 125.627 1.571 . . . . 1.8600000000000001 112.135 -179.584 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 46.6 t-80 -82.0 -24.25 35.53 Favored 'General case' 0 C--N 1.366 1.293 0 C-N-CA 128.066 2.546 . . . . 2.0099999999999998 111.914 174.824 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -64.45 -50.38 67.74 Favored 'General case' 0 C--N 1.37 1.46 0 C-N-CA 129.097 2.959 . . . . 1.1899999999999999 111.892 168.763 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.91 -31.92 73.38 Favored 'General case' 0 C--N 1.357 0.935 0 C-N-CA 129.223 3.009 . . . . 1.0700000000000001 116.362 175.687 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 67.0 m -85.05 -27.11 26.58 Favored 'General case' 0 C--N 1.362 1.116 0 C-N-CA 125.762 1.625 . . . . 1.03 113.372 177.845 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 40.1 tp -77.12 -33.97 56.72 Favored 'General case' 0 C--N 1.361 1.079 0 C-N-CA 127.075 2.15 . . . . 2.3500000000000001 112.546 177.189 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.6 pt -104.76 -21.8 5.16 Favored 'Isoleucine or valine' 0 C--N 1.366 1.285 0 C-N-CA 124.348 1.059 . . . . 1.0900000000000001 112.185 -174.023 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.8 tpp180 84.99 70.06 0.01 OUTLIER 'General case' 0 C--N 1.372 1.562 0 C-N-CA 129.227 3.011 . . . . 3.6099999999999999 114.051 175.818 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 93.4 mt -139.87 -166.57 2.11 Favored 'General case' 0 C--N 1.359 0.997 0 N-CA-C 106.981 -1.488 . . . . 1.1799999999999999 106.981 169.972 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.423 HG23 ' H ' ' A' ' 51' ' ' THR . 71.3 p -98.8 144.53 28.33 Favored Pre-proline 0 C--N 1.368 1.412 0 C-N-CA 126.625 1.97 . . . . 1.4099999999999999 108.703 175.643 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_exo -61.2 -18.92 61.3 Favored 'Trans proline' 0 C--N 1.367 1.548 1 C-N-CA 126.128 4.552 . . . . 1.0600000000000001 116.572 172.26 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.423 ' H ' HG23 ' A' ' 49' ' ' THR . 13.8 t -85.54 -31.0 22.94 Favored 'General case' 0 C--N 1.366 1.294 0 C-N-CA 126.997 2.119 . . . . 1.1299999999999999 111.144 -178.579 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -82.16 -32.41 30.0 Favored 'General case' 0 C--N 1.373 1.595 0 CA-C-N 119.362 0.983 . . . . 1.04 112.765 178.586 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.5 p -70.73 -36.71 66.08 Favored 'Isoleucine or valine' 0 C--N 1.376 1.743 0 C-N-CA 124.972 1.309 . . . . 1.0900000000000001 112.74 172.2 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.98 -47.62 82.44 Favored 'General case' 0 C--N 1.369 1.439 0 C-N-CA 128.04 2.536 . . . . 1.74 113.543 170.989 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.293 4.9 mt -84.45 -5.83 9.82 Favored 'Isoleucine or valine' 0 C--N 1.369 1.42 0 N-CA-C 115.219 1.562 . . . . 1.3200000000000001 115.219 177.519 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 31.0 t90 -74.53 -42.46 58.82 Favored 'General case' 0 C--N 1.376 1.743 0 C-N-CA 125.759 1.624 . . . . 0.34000000000000002 110.87 166.945 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -84.51 -12.02 55.02 Favored 'General case' 0 C--N 1.365 1.276 0 C-N-CA 126.54 1.936 . . . . 0.46000000000000002 113.588 -179.532 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -79.34 -34.71 41.93 Favored 'General case' 0 C--N 1.359 0.994 0 C-N-CA 127.377 2.271 . . . . 1.3400000000000001 111.716 170.293 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 70.4 m-20 -90.39 -40.39 12.09 Favored 'General case' 0 C--N 1.367 1.338 0 C-N-CA 126.192 1.797 . . . . 0.85999999999999999 114.051 -176.058 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -80.56 -13.01 59.43 Favored 'General case' 0 C--N 1.363 1.191 0 N-CA-C 116.369 1.989 . . . . 2.3900000000000001 116.369 -166.849 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.7 ptm180 -89.24 81.13 6.75 Favored 'General case' 0 C--N 1.379 1.863 0 C-N-CA 129.488 3.115 . . . . 3.9100000000000001 106.172 151.818 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -147.75 65.11 1.12 Allowed 'General case' 0 N--CA 1.439 -1.024 1 C-N-CA 132.676 4.39 . . . . 6.3799999999999999 114.258 18.276 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -104.44 65.33 0.77 Allowed 'General case' 0 CA--C 1.509 -0.602 0 N-CA-C 103.462 -2.792 . . . . 5.9000000000000004 103.462 159.197 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 80.4 m -75.15 30.42 0.1 Allowed 'General case' 0 C--N 1.37 1.494 1 C-N-CA 133.395 4.678 . . . . 4.0999999999999996 115.169 -166.387 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . 2.368 0.0 OUTLIER -28.84 69.31 0.0 OUTLIER 'General case' 0 C--N 1.373 1.616 1 C-N-CA 134.198 4.999 . . . . 8.1699999999999999 120.207 -150.839 . . . . . . . . 4 3 . 1 . 024 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . 2.273 45.7 ptt85 -97.69 66.35 1.93 Allowed 'General case' 0 C--N 1.358 0.945 1 C-N-CA 132.366 4.266 . . . . 11.25 108.198 167.46 . . . . . . . . 3 2 . 1 . 024 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -99.96 11.76 38.51 Favored 'General case' 0 C--N 1.363 1.181 0 C-N-CA 125.555 1.542 . . . . 9.0999999999999996 112.044 -173.721 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -105.24 10.39 33.69 Favored 'General case' 0 C--N 1.365 1.254 0 C-N-CA 126.371 1.868 . . . . 9.6899999999999995 114.512 -174.965 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . 2.535 3.1 t30 176.96 -34.0 0.01 OUTLIER 'General case' 0 N--CA 1.435 -1.222 0 CA-C-N 111.708 -2.496 . . . . 12.300000000000001 109.469 147.801 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -48.93 118.54 2.66 Favored 'General case' 0 C--N 1.371 1.527 0 C-N-CA 127.611 2.364 . . . . 12.73 115.867 -135.036 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -49.09 115.56 1.34 Allowed 'General case' 0 C--N 1.364 1.21 0 N-CA-C 119.675 3.213 . . . . 16.57 119.675 -118.892 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 84.71 50.73 4.09 Favored Glycine 0 C--N 1.363 2.074 0 C-N-CA 128.769 3.081 . . . . 15.41 113.175 178.395 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -76.98 -54.71 6.21 Favored 'General case' 0 C--N 1.366 1.311 0 C-N-CA 127.477 2.311 . . . . 14.050000000000001 114.665 -174.1 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -124.78 56.54 1.3 Allowed 'General case' 0 N--CA 1.44 -0.936 0 C-N-CA 128.653 2.781 . . . . 14.869999999999999 106.635 175.007 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 176.0 88.76 0.07 OUTLIER Glycine 0 C--N 1.356 1.639 0 N-CA-C 108.298 -1.921 . . . . 15.93 108.298 -179.862 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -145.14 -58.19 0.02 OUTLIER Pre-proline 0 C--N 1.358 0.936 0 CA-C-O 116.011 -1.947 . . . . 18.370000000000001 108.05 174.746 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo . . . . . 0 C--O 1.263 1.761 0 CA-C-N 125.48 2.993 . . . . 17.68 109.601 173.655 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.498 0.19 . . . . 17.23 110.704 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.1 t -153.2 -146.58 0.2 Allowed 'General case' 0 C--N 1.362 1.151 0 N-CA-C 104.375 -2.454 . . . . 16.920000000000002 104.375 -179.879 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -150.01 10.9 0.72 Allowed 'General case' 0 C--N 1.358 0.945 0 N-CA-C 106.41 -1.7 . . . . 17.010000000000002 106.41 177.319 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.45 -135.62 4.03 Favored Glycine 0 C--N 1.359 1.829 0 N-CA-C 105.829 -2.908 . . . . 15.789999999999999 105.829 -177.541 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.404 ' H ' ' CD ' ' A' ' 6' ' ' PRO 0.314 1.8 pt? -158.65 -43.65 0.0 OUTLIER Pre-proline 0 C--N 1.356 0.876 0 CA-C-O 114.364 -2.732 . . . . 16.199999999999999 112.474 177.524 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.404 ' CD ' ' H ' ' A' ' 5' ' ' LEU . 63.3 Cg_endo -94.61 60.95 0.27 Allowed 'Trans proline' 0 C--N 1.37 1.693 0 CA-C-N 127.796 3.82 . . . . 14.32 110.608 -163.772 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 44.0 t30 -159.89 -30.53 0.06 Allowed 'General case' 0 C--N 1.358 0.937 0 N-CA-C 105.303 -2.11 . . . . 15.539999999999999 105.303 -179.35 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.7 mptt -96.6 -34.53 11.39 Favored 'General case' 0 C--N 1.361 1.085 0 C-N-CA 128.561 2.744 . . . . 17.260000000000002 108.769 -177.563 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -151.15 99.17 2.64 Favored 'General case' 0 C--N 1.358 0.942 0 N-CA-C 105.368 -2.086 . . . . 14.380000000000001 105.368 179.968 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 27.1 ptt-85 -133.22 -12.56 2.79 Favored 'General case' 0 C--N 1.357 0.908 0 C-N-CA 125.143 1.377 . . . . 13.85 107.465 172.406 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -120.69 -66.6 1.04 Allowed 'General case' 0 C--N 1.367 1.33 0 N-CA-C 104.898 -2.26 . . . . 13.210000000000001 104.898 167.274 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.435 ' H ' ' HE ' ' A' ' 12' ' ' ARG 2.307 2.5 mtm180 66.63 -83.3 0.03 OUTLIER 'General case' 0 C--N 1.37 1.458 0 C-N-CA 129.472 3.109 . . . . 10.609999999999999 116.833 171.32 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 15.3 mmm180 -98.22 -169.29 1.78 Allowed 'General case' 0 C--N 1.362 1.149 0 C-N-CA 129.002 2.921 . . . . 8.1999999999999993 107.461 179.265 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 2.025 7.7 m -66.28 -86.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.358 0.952 0 C-N-CA 129.193 2.997 . . . . 4.5700000000000003 115.379 -154.964 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.57 140.34 51.16 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 130.058 3.343 . . . . 5.2400000000000002 115.497 -175.556 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 18.3 m-30 -96.7 149.61 21.62 Favored 'General case' 0 C--N 1.358 0.972 0 C-N-CA 128.097 2.559 . . . . 1.6399999999999999 112.552 -156.34 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . 0.259 10.8 m -103.13 -171.05 1.88 Allowed 'General case' 0 C--N 1.371 1.53 0 C-N-CA 126.85 2.06 . . . . 1.3100000000000001 110.268 -175.229 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.7 pptp? -74.99 -9.92 58.99 Favored 'General case' 0 C--N 1.369 1.442 0 N-CA-C 117.473 2.397 . . . . 3.73 117.473 -162.233 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -83.59 -42.74 16.42 Favored 'General case' 0 C--N 1.363 1.157 0 C-N-CA 125.826 1.65 . . . . 1.1299999999999999 111.736 168.671 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 50.2 mm-40 -73.52 -46.23 49.01 Favored 'General case' 0 C--N 1.368 1.41 0 C-N-CA 128.451 2.7 . . . . 0.85999999999999999 112.104 -174.425 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 67.4 p -65.92 -40.48 91.48 Favored 'General case' 0 C--N 1.373 1.618 0 C-N-CA 127.896 2.478 . . . . 1.1200000000000001 111.941 179.053 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -56.13 -56.58 19.21 Favored 'General case' 0 C--N 1.367 1.328 0 C-N-CA 128.332 2.653 . . . . 1.22 113.433 175.981 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -67.25 -35.84 80.37 Favored 'General case' 0 C--N 1.37 1.466 0 N-CA-C 115.397 1.629 . . . . 1.3100000000000001 115.397 -176.407 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 96.3 mt -66.78 -38.02 85.72 Favored 'General case' 0 C--N 1.365 1.247 0 C-N-CA 126.606 1.962 . . . . 1.0900000000000001 116.002 178.126 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -75.87 -28.67 58.25 Favored 'General case' 0 C--N 1.358 0.935 0 C-N-CA 128.091 2.556 . . . . 1.6599999999999999 114.355 175.314 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . 0.254 0.5 OUTLIER -64.75 -50.15 67.97 Favored 'General case' 0 C--N 1.377 1.804 0 C-N-CA 125.263 1.425 . . . . 2.54 112.545 173.75 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.14 -38.38 82.93 Favored 'General case' 0 C--N 1.384 2.108 0 N-CA-C 115.727 1.751 . . . . 2.54 115.727 170.823 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -68.28 -25.04 64.96 Favored 'General case' 0 C--N 1.377 1.774 0 C-N-CA 125.65 1.58 . . . . 0.82999999999999996 114.32 -177.572 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 17.1 mmm-85 -72.21 -36.59 69.22 Favored 'General case' 0 C--N 1.366 1.286 0 C-N-CA 126.742 2.017 . . . . 4.5700000000000003 114.495 173.441 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 65.7 tp60 -94.75 -27.6 15.72 Favored 'General case' 0 N--CA 1.433 -1.295 0 C-N-CA 128.162 2.585 . . . . 2.5299999999999998 113.06 -172.579 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -167.52 158.79 11.67 Favored 'General case' 0 C--N 1.365 1.244 0 N-CA-C 107.516 -1.29 . . . . 2.04 107.516 -165.821 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 12.2 mtm105 -105.22 -37.48 6.87 Favored 'General case' 0 C--N 1.366 1.31 0 C-N-CA 124.878 1.271 . . . . 4.25 109.745 173.85 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 42.0 p90 -113.23 143.44 44.4 Favored 'General case' 0 C--N 1.36 1.058 0 C-N-CA 127.033 2.133 . . . . 5.9000000000000004 109.315 -175.249 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -154.89 123.11 5.92 Favored 'General case' 0 N--CA 1.443 -0.796 0 N-CA-C 102.912 -2.995 . . . . 1.28 102.912 -170.938 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 8.2 m -81.98 163.03 22.43 Favored 'General case' 0 C--N 1.371 1.523 0 C-N-CA 126.805 2.042 . . . . 2.04 111.407 -170.43 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.65 -37.5 32.22 Favored Pre-proline 0 C--N 1.367 1.348 0 N-CA-C 120.21 3.411 . . . . 1.23 120.21 -172.908 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -67.23 -29.59 38.84 Favored 'Trans proline' 0 C--N 1.362 1.264 0 C-N-CA 124.406 3.404 . . . . 1.3899999999999999 115.173 174.447 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -101.26 -20.35 15.29 Favored 'General case' 0 C--N 1.363 1.156 0 C-N-CA 125.941 1.697 . . . . 1.72 114.665 176.289 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 46.0 ttp85 -80.64 -42.9 21.35 Favored 'General case' 0 C--N 1.374 1.651 0 C-N-CA 125.97 1.708 . . . . 3.04 111.374 -176.961 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 77.4 mt-10 -84.07 -18.07 38.19 Favored 'General case' 0 C--N 1.367 1.346 0 C-N-CA 126.311 1.844 . . . . 1.8600000000000001 111.738 -176.71 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 78.3 t60 -85.06 -23.44 28.57 Favored 'General case' 0 C--N 1.365 1.278 0 C-N-CA 127.991 2.517 . . . . 2.0099999999999998 111.416 176.199 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -73.25 -34.31 65.77 Favored 'General case' 0 C--N 1.37 1.475 0 C-N-CA 128.03 2.532 . . . . 1.1899999999999999 111.856 169.097 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -76.78 -28.92 55.85 Favored 'General case' 0 C--N 1.362 1.123 0 C-N-CA 127.2 2.2 . . . . 1.0700000000000001 113.847 174.568 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 71.0 m -81.18 -33.14 33.24 Favored 'General case' 0 C--N 1.361 1.095 0 C-N-CA 125.098 1.359 . . . . 1.03 114.09 178.541 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 85.5 mt -85.07 -24.23 28.2 Favored 'General case' 0 C--N 1.359 1.018 0 C-N-CA 125.953 1.701 . . . . 2.3500000000000001 113.294 177.355 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . 0.255 1.0 OUTLIER -96.39 -19.61 6.1 Favored 'Isoleucine or valine' 0 C--N 1.37 1.469 0 CA-C-N 118.994 0.815 . . . . 1.0900000000000001 112.334 176.19 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 38.1 tpt85 86.72 51.91 0.01 OUTLIER 'General case' 0 C--N 1.371 1.524 0 C-N-CA 128.999 2.919 . . . . 3.6099999999999999 112.639 167.685 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 85.1 mt -134.85 -167.57 2.01 Favored 'General case' 0 C--N 1.359 1.013 0 N-CA-C 106.71 -1.589 . . . . 1.1799999999999999 106.71 176.208 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 81.9 p -102.09 145.44 30.5 Favored Pre-proline 0 C--N 1.365 1.281 0 C-N-CA 125.987 1.715 . . . . 1.4099999999999999 108.393 -177.129 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_exo -61.5 -18.64 60.78 Favored 'Trans proline' 0 C--N 1.366 1.454 1 C-N-CA 126.127 4.552 . . . . 1.0600000000000001 116.559 172.524 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 14.3 t -89.3 -30.19 18.63 Favored 'General case' 0 C--N 1.363 1.172 0 C-N-CA 126.635 1.974 . . . . 1.1299999999999999 110.921 -176.355 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -80.94 -33.18 34.18 Favored 'General case' 0 C--N 1.375 1.679 0 C-N-CA 124.672 1.189 . . . . 1.04 111.839 177.644 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.2 p -70.21 -39.93 77.47 Favored 'Isoleucine or valine' 0 C--N 1.382 1.988 0 C-N-CA 125.419 1.488 . . . . 1.0900000000000001 111.204 174.749 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.42 -33.74 76.56 Favored 'General case' 0 C--N 1.367 1.356 0 N-CA-C 115.568 1.692 . . . . 1.74 115.568 171.457 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.317 0.5 OUTLIER -80.51 -9.69 12.13 Favored 'Isoleucine or valine' 0 C--N 1.386 2.16 0 CA-C-N 121.671 2.032 . . . . 1.3200000000000001 114.886 167.475 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 17.1 t90 -74.97 -37.05 62.02 Favored 'General case' 0 C--N 1.376 1.723 0 CA-C-N 120.891 1.678 . . . . 0.34000000000000002 111.714 170.217 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 -85.09 -12.38 53.11 Favored 'General case' 0 C--N 1.367 1.342 0 C-N-CA 127.547 2.339 . . . . 0.46000000000000002 113.523 177.671 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -70.03 -40.84 74.94 Favored 'General case' 0 C--N 1.367 1.357 0 C-N-CA 127.981 2.512 . . . . 1.3400000000000001 112.091 163.926 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -91.62 -23.58 19.81 Favored 'General case' 0 C--N 1.367 1.327 0 C-N-CA 126.293 1.837 . . . . 0.85999999999999999 113.785 -171.143 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . 2.221 46.5 t60 -67.34 -41.57 85.0 Favored 'General case' 0 C--N 1.375 1.691 0 C-N-CA 125.954 1.702 . . . . 2.3900000000000001 112.8 -178.076 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.13 37.75 0.69 Allowed 'General case' 0 C--N 1.373 1.609 0 C-N-CA 128.219 2.608 . . . . 3.9100000000000001 112.898 -176.426 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . 2.44 0.0 OUTLIER 176.23 96.08 0.01 OUTLIER 'General case' 0 CA--C 1.493 -1.221 0 N-CA-C 102.685 -3.08 . . . . 6.3799999999999999 102.685 173.047 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . 0.283 30.9 mmmt 136.61 81.56 0.0 OUTLIER 'General case' 0 N--CA 1.446 -0.64 1 C-N-CA 135.375 5.47 . . . . 5.9000000000000004 105.706 168.295 . . . . . . . . 3 2 . 1 . 025 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . 2.107 0.0 OUTLIER -48.33 -102.99 0.0 OUTLIER 'General case' 0 C--N 1.374 1.67 1 C-N-CA 134.057 4.943 . . . . 4.0999999999999996 116.085 169.858 . . . . . . . . 4 3 . 1 . 025 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.499 ' HA ' ' HZ2' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -85.84 -56.83 3.29 Favored 'General case' 0 C--N 1.36 1.024 0 C-N-CA 126.94 2.096 . . . . 8.1699999999999999 114.007 -159.207 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.3 tpt180 -108.05 97.09 6.84 Favored 'General case' 0 C--N 1.364 1.23 0 N-CA-C 104.953 -2.24 . . . . 11.25 104.953 171.885 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -99.47 89.15 4.07 Favored 'General case' 0 C--N 1.363 1.158 0 C-N-CA 124.875 1.27 . . . . 9.0999999999999996 112.447 -169.027 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . 2.237 6.6 pt20 -74.11 -71.23 0.34 Allowed 'General case' 0 C--N 1.354 0.764 0 C-N-CA 130.816 3.646 . . . . 9.6899999999999995 113.812 172.634 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . 2.227 73.4 m-80 -72.04 16.45 0.12 Allowed 'General case' 0 N--CA 1.489 1.481 1 C-N-CA 134.135 4.974 . . . . 12.300000000000001 119.3 -156.972 . . . . . . . . 3 2 . 1 . 025 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -80.88 96.68 7.11 Favored 'General case' 0 CA--C 1.501 -0.911 0 C-N-CA 130.522 3.529 . . . . 12.73 107.737 170.838 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 58.2 mttm -49.03 159.35 0.27 Allowed 'General case' 0 C--N 1.358 0.949 0 C-N-CA 130.388 3.475 . . . . 16.57 120.319 -136.649 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 111.12 69.79 0.59 Allowed Glycine 0 C--N 1.358 1.801 0 N-CA-C 106.259 -2.736 . . . . 15.41 106.259 -149.42 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . 2.316 0.0 OUTLIER -59.22 24.72 0.01 OUTLIER 'General case' 0 C--N 1.372 1.58 0 N-CA-C 121.452 3.871 . . . . 14.050000000000001 121.452 -169.229 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -132.78 82.25 1.99 Allowed 'General case' 0 N--CA 1.438 -1.027 0 C-N-CA 128.177 2.591 . . . . 14.869999999999999 108.638 -174.735 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 144.54 93.58 0.16 Allowed Glycine 0 C--N 1.359 1.828 0 N-CA-C 110.662 -0.975 . . . . 15.93 110.662 166.625 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 80.6 t60 -160.59 137.58 6.65 Favored Pre-proline 0 C--N 1.361 1.084 0 N-CA-C 104.746 -2.316 . . . . 18.370000000000001 104.746 178.855 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo . . . . . 0 C--O 1.261 1.647 0 C-N-CA 123.74 2.96 . . . . 17.68 109.113 169.457 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.651 0.262 . . . . 17.23 110.428 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.5 m -139.33 27.26 2.33 Favored 'General case' 0 C--N 1.36 1.037 0 N-CA-C 106.422 -1.696 . . . . 16.920000000000002 106.422 179.089 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -143.42 102.54 3.97 Favored 'General case' 0 C--N 1.365 1.266 0 N-CA-C 106.464 -1.68 . . . . 17.010000000000002 106.464 -175.825 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -99.5 109.26 3.71 Favored Glycine 0 C--N 1.366 2.226 0 N-CA-C 108.146 -1.982 . . . . 15.789999999999999 108.146 174.048 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.4 pp -153.07 160.23 31.21 Favored Pre-proline 0 C--N 1.359 0.991 0 N-CA-C 106.027 -1.842 . . . . 16.199999999999999 106.027 -170.355 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -81.46 150.11 16.97 Favored 'Trans proline' 0 C--N 1.363 1.31 0 C-N-CA 123.536 2.824 . . . . 14.32 113.225 -166.98 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 38.0 t30 -103.15 102.39 12.39 Favored 'General case' 0 C--N 1.365 1.264 0 C-N-CA 126.994 2.117 . . . . 15.539999999999999 105.324 168.669 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.4 mtmp? -95.94 159.14 15.12 Favored 'General case' 0 C--N 1.36 1.041 0 C-N-CA 126.073 1.749 . . . . 17.260000000000002 113.763 -159.196 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . 2.461 23.0 pttp 124.44 -166.21 0.0 OUTLIER 'General case' 0 C--N 1.363 1.172 0 C-N-CA 126.712 2.005 . . . . 14.380000000000001 108.964 167.161 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.298 24.3 ttp180 87.66 -126.19 0.01 OUTLIER 'General case' 0 C--N 1.366 1.29 0 C-N-CA 129.26 3.024 . . . . 13.85 111.979 177.506 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.0 ttmp? 84.24 56.66 0.01 OUTLIER 'General case' 0 C--N 1.37 1.477 0 C-N-CA 129.176 2.991 . . . . 13.210000000000001 111.448 179.397 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.469 ' C ' ' H ' ' A' ' 14' ' ' VAL . 0.0 OUTLIER -80.65 -159.67 0.26 Allowed 'General case' 0 N--CA 1.428 -1.559 0 C-N-CA 130.467 3.507 . . . . 10.609999999999999 116.86 -170.846 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . 2.31 0.0 OUTLIER -44.53 -6.01 0.01 OUTLIER 'General case' 0 C--N 1.374 1.654 2 C-N-CA 138.288 6.635 . . . . 8.1999999999999993 122.58 179.097 . . . . . . . . 4 3 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.469 ' H ' ' C ' ' A' ' 12' ' ' ARG . 6.4 m -95.72 124.68 48.46 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.109 1 C-N-CA 132.715 4.406 . . . . 4.5700000000000003 111.071 -163.609 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.9 mp -146.1 127.83 15.27 Favored 'General case' 0 N--CA 1.439 -1.007 0 N-CA-C 102.358 -3.201 . . . . 5.2400000000000002 102.358 -173.353 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.43 ' HB3' ' HB2' ' A' ' 20' ' ' GLN . 14.8 m-30 -84.27 147.91 26.97 Favored 'General case' 0 C--N 1.362 1.144 0 N-CA-C 117.27 2.322 . . . . 1.6399999999999999 117.27 -153.237 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.3 m -115.09 -169.15 1.5 Allowed 'General case' 0 C--N 1.371 1.527 0 C-N-CA 128.57 2.748 . . . . 1.3100000000000001 107.895 -178.705 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.03 0.03 29.39 Favored 'General case' 0 C--N 1.37 1.463 0 C-N-CA 127.091 2.156 . . . . 3.73 116.634 -167.258 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.33 -43.15 15.06 Favored 'General case' 0 C--N 1.363 1.164 0 C-N-CA 126.204 1.802 . . . . 1.1299999999999999 112.102 165.98 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.43 ' HB2' ' HB3' ' A' ' 16' ' ' PHE . 41.3 mm-40 -77.4 -44.82 27.91 Favored 'General case' 0 C--N 1.367 1.357 0 C-N-CA 128.394 2.678 . . . . 0.85999999999999999 111.395 -171.107 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 81.1 p -66.02 -33.53 76.02 Favored 'General case' 0 C--N 1.37 1.463 0 C-N-CA 127.755 2.422 . . . . 1.1200000000000001 113.364 174.727 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 56.6 t80 -64.7 -49.87 69.21 Favored 'General case' 0 C--N 1.368 1.382 0 C-N-CA 127.703 2.401 . . . . 1.22 113.343 178.437 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.403 ' HA ' ' HG2' ' A' ' 26' ' ' ARG . 66.4 mm-40 -71.54 -35.68 70.73 Favored 'General case' 0 C--N 1.361 1.073 0 C-N-CA 126.217 1.807 . . . . 1.3100000000000001 115.627 -178.594 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 93.5 mt -71.49 -40.08 70.43 Favored 'General case' 0 C--N 1.361 1.094 0 C-N-CA 126.329 1.851 . . . . 1.0900000000000001 115.193 178.819 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -69.82 -33.24 72.05 Favored 'General case' 0 C--N 1.361 1.079 0 C-N-CA 127.363 2.265 . . . . 1.6599999999999999 115.117 171.809 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.403 ' HG2' ' HA ' ' A' ' 23' ' ' GLU . 0.9 OUTLIER -76.78 -27.0 55.12 Favored 'General case' 0 C--N 1.371 1.507 0 N-CA-C 116.101 1.889 . . . . 2.54 116.101 178.228 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.26 41.7 mmm-85 -75.41 -31.14 60.3 Favored 'General case' 0 C--N 1.368 1.389 0 C-N-CA 123.496 0.719 . . . . 2.54 112.166 165.619 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -69.28 -23.97 63.91 Favored 'General case' 0 C--N 1.374 1.648 0 C-N-CA 126.568 1.947 . . . . 0.82999999999999996 113.965 -178.363 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 19.3 mmm-85 -74.33 -42.56 59.22 Favored 'General case' 0 C--N 1.365 1.282 0 C-N-CA 127.093 2.157 . . . . 4.5700000000000003 114.324 174.585 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 64.3 tp60 -92.45 -23.36 19.18 Favored 'General case' 0 C--N 1.36 1.064 0 C-N-CA 128.079 2.552 . . . . 2.5299999999999998 113.006 -172.27 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -158.45 156.59 30.63 Favored 'General case' 0 C--N 1.363 1.169 0 N-CA-C 106.64 -1.615 . . . . 2.04 106.64 -177.459 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 15.2 mtm105 -105.15 -33.3 8.31 Favored 'General case' 0 C--N 1.366 1.289 0 C-N-CA 124.991 1.316 . . . . 4.25 108.597 -179.857 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 49.9 p90 -125.87 146.49 49.8 Favored 'General case' 0 N--CA 1.437 -1.092 0 C-N-CA 127.539 2.336 . . . . 5.9000000000000004 106.843 -178.651 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -153.19 123.55 7.11 Favored 'General case' 0 CA--C 1.499 -0.986 0 N-CA-C 102.816 -3.031 . . . . 1.28 102.816 -170.845 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 29.1 p -93.59 160.75 14.64 Favored 'General case' 0 C--N 1.365 1.239 0 C-N-CA 127.178 2.191 . . . . 2.04 110.735 -165.784 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . 0.256 . . -44.25 -43.73 16.31 Favored Pre-proline 0 C--N 1.367 1.359 0 N-CA-C 120.587 3.551 . . . . 1.23 120.587 -164.967 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_exo -67.27 -34.04 28.7 Favored 'Trans proline' 0 C--N 1.359 1.12 0 C-N-CA 124.253 3.302 . . . . 1.3899999999999999 115.281 177.887 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -95.44 -20.15 19.3 Favored 'General case' 0 C--N 1.365 1.26 0 C-N-CA 126.551 1.941 . . . . 1.72 113.395 178.554 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 -83.92 -35.18 24.24 Favored 'General case' 0 C--N 1.375 1.695 0 CA-C-N 120.082 1.31 . . . . 3.04 111.956 -175.833 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -81.32 -16.12 53.37 Favored 'General case' 0 C--N 1.373 1.628 0 C-N-CA 126.719 2.007 . . . . 1.8600000000000001 111.666 176.56 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 46.4 t-80 -80.79 -28.49 36.32 Favored 'General case' 0 C--N 1.366 1.296 0 C-N-CA 128.375 2.67 . . . . 2.0099999999999998 111.666 174.695 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -73.44 -33.77 65.08 Favored 'General case' 0 C--N 1.37 1.461 0 C-N-CA 128.224 2.61 . . . . 1.1899999999999999 112.293 171.944 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -78.86 -27.07 44.05 Favored 'General case' 0 C--N 1.363 1.172 0 C-N-CA 127.221 2.208 . . . . 1.0700000000000001 113.886 175.061 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 75.7 m -83.35 -25.29 31.55 Favored 'General case' 0 C--N 1.359 1.018 0 C-N-CA 126.006 1.722 . . . . 1.03 112.522 175.238 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 48.2 tp -74.3 -39.89 62.6 Favored 'General case' 0 C--N 1.362 1.132 0 C-N-CA 128.007 2.523 . . . . 2.3500000000000001 112.421 174.554 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.7 pt -103.84 -15.69 8.02 Favored 'Isoleucine or valine' 0 C--N 1.367 1.35 0 N-CA-C 113.505 0.928 . . . . 1.0900000000000001 113.505 -173.978 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 23.2 tpt180 88.5 57.03 0.01 OUTLIER 'General case' 0 C--N 1.369 1.415 0 C-N-CA 129.394 3.078 . . . . 3.6099999999999999 113.935 169.979 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 94.5 mt -134.65 -171.45 2.78 Favored 'General case' 0 C--N 1.361 1.094 0 C-N-CA 124.987 1.315 . . . . 1.1799999999999999 108.089 175.527 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 31.8 p -110.22 158.75 34.33 Favored Pre-proline 0 C--N 1.368 1.381 0 C-N-CA 126.526 1.93 . . . . 1.4099999999999999 110.289 179.933 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 78.6 Cg_exo -65.91 -19.5 58.3 Favored 'Trans proline' 0 C--N 1.371 1.715 1 C-N-CA 125.679 4.252 . . . . 1.0600000000000001 117.466 -176.711 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 14.1 t -88.72 -29.1 20.09 Favored 'General case' 0 C--N 1.365 1.253 0 C-N-CA 125.711 1.605 . . . . 1.1299999999999999 111.685 -175.888 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -84.81 -32.71 23.17 Favored 'General case' 0 C--N 1.368 1.387 0 C-N-CA 124.269 1.028 . . . . 1.04 112.39 179.031 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 8.0 p -67.41 -42.88 87.78 Favored 'Isoleucine or valine' 0 C--N 1.38 1.92 0 C-N-CA 124.055 0.942 . . . . 1.0900000000000001 112.211 169.007 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.24 -37.26 86.84 Favored 'General case' 0 C--N 1.366 1.311 0 C-N-CA 127.128 2.171 . . . . 1.74 115.797 172.626 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.362 0.5 OUTLIER -77.38 -10.75 13.29 Favored 'Isoleucine or valine' 0 C--N 1.383 2.053 0 CA-C-N 121.397 1.908 . . . . 1.3200000000000001 114.605 169.463 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 17.8 t90 -75.03 -41.22 59.65 Favored 'General case' 0 C--N 1.372 1.569 0 CA-C-N 120.355 1.434 . . . . 0.34000000000000002 112.409 169.294 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 -85.14 -7.02 59.26 Favored 'General case' 0 C--N 1.367 1.357 0 C-N-CA 126.205 1.802 . . . . 0.46000000000000002 113.084 178.389 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -71.41 -43.36 66.94 Favored 'General case' 0 C--N 1.364 1.226 0 C-N-CA 128.278 2.631 . . . . 1.3400000000000001 112.326 162.901 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -90.46 -34.45 15.59 Favored 'General case' 0 C--N 1.366 1.313 0 C-N-CA 126.415 1.886 . . . . 0.85999999999999999 114.233 -168.89 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -83.52 -13.66 54.05 Favored 'General case' 0 C--N 1.361 1.088 0 N-CA-C 115.378 1.622 . . . . 2.3900000000000001 115.378 -167.636 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . 0.313 12.1 ptm180 -87.09 52.18 2.45 Favored 'General case' 0 C--N 1.371 1.522 0 C-N-CA 129.449 3.099 . . . . 3.9100000000000001 114.217 167.308 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -159.97 55.51 0.36 Allowed 'General case' 0 C--N 1.38 1.908 0 CA-C-N 121.134 1.788 . . . . 6.3799999999999999 114.842 -163.899 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 63.96 51.44 2.3 Favored 'General case' 0 N--CA 1.494 1.77 0 CA-C-N 120.215 1.37 . . . . 5.9000000000000004 112.491 170.447 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . 0.328 0.2 OUTLIER -95.54 94.32 7.7 Favored 'General case' 0 C--N 1.365 1.25 0 CA-C-O 125.776 2.703 . . . . 4.0999999999999996 109.455 -140.379 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -48.84 28.84 0.0 OUTLIER 'General case' 0 CA--C 1.543 0.692 1 C-N-CA 135.076 5.35 . . . . 8.1699999999999999 118.715 153.27 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.0 tpt180 -109.18 97.79 7.34 Favored 'General case' 0 C--N 1.361 1.093 0 C-N-CA 127.327 2.251 . . . . 11.25 107.932 -170.166 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -100.91 85.57 2.89 Favored 'General case' 0 C--N 1.363 1.187 0 C-N-CA 127.553 2.341 . . . . 9.0999999999999996 108.39 176.381 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -106.15 94.46 5.18 Favored 'General case' 0 CA--C 1.506 -0.717 0 C-N-CA 126.898 2.079 . . . . 9.6899999999999995 109.757 -176.379 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -146.86 56.95 1.15 Allowed 'General case' 0 N--CA 1.439 -1.003 0 C-N-CA 126.688 1.995 . . . . 12.300000000000001 107.497 -179.557 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.447 ' CD ' ' H ' ' A' ' 71' ' ' LYS 0.374 1.1 pp20? -58.95 -92.09 0.0 OUTLIER 'General case' 0 C--N 1.361 1.078 0 C-N-CA 129.822 3.249 . . . . 12.73 116.066 170.249 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.447 ' H ' ' CD ' ' A' ' 70' ' ' GLU . 71.7 mmtt -92.99 122.98 35.91 Favored 'General case' 0 C--N 1.373 1.628 0 CA-C-N 121.541 1.973 . . . . 16.57 109.264 172.758 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 102.09 61.55 0.74 Allowed Glycine 0 CA--C 1.479 -2.188 0 C-N-CA 127.175 2.321 . . . . 15.41 109.074 -170.362 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 42.6 t80 -142.99 149.61 38.54 Favored 'General case' 0 N--CA 1.405 -2.718 1 N-CA-C 99.142 -4.392 . . . . 14.050000000000001 99.142 174.137 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 25.4 pt-20 -82.27 45.86 0.98 Allowed 'General case' 0 C--N 1.324 -0.53 1 C-N-CA 132.95 4.5 . . . . 14.869999999999999 115.212 -168.903 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 93.62 -113.69 4.56 Favored Glycine 0 C--N 1.362 2.004 0 C-N-CA 126.035 1.779 . . . . 15.93 111.086 178.034 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 85.2 t60 -157.95 140.61 10.59 Favored Pre-proline 0 C--N 1.359 1.006 0 N-CA-C 104.531 -2.396 . . . . 18.370000000000001 104.531 -179.799 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo . . . . . 0 C--O 1.261 1.649 0 C-N-CA 123.841 3.027 . . . . 17.68 109.164 173.539 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.307 0 CA-C-O 120.471 0.176 . . . . 17.23 110.772 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.9 t -152.19 -143.76 0.14 Allowed 'General case' 0 C--N 1.363 1.184 0 N-CA-C 104.633 -2.358 . . . . 16.920000000000002 104.633 179.496 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -143.99 -28.94 0.51 Allowed 'General case' 0 C--N 1.356 0.875 0 C-N-CA 125.893 1.677 . . . . 17.010000000000002 106.799 -179.981 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -104.51 90.92 0.75 Allowed Glycine 0 C--N 1.364 2.121 0 C-N-CA 126.15 1.833 . . . . 15.789999999999999 108.571 176.321 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.1 pp -161.37 172.23 5.97 Favored Pre-proline 0 C--N 1.358 0.973 0 N-CA-C 105.465 -2.05 . . . . 16.199999999999999 105.465 -175.611 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -79.93 105.56 1.82 Allowed 'Trans proline' 0 C--N 1.362 1.267 0 C-N-CA 124.003 3.135 . . . . 14.32 110.077 166.975 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 21.6 t30 -89.14 -41.51 12.23 Favored 'General case' 0 C--N 1.364 1.211 0 C-N-CA 126.242 1.817 . . . . 15.539999999999999 110.974 -169.578 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.8 tptp -107.32 137.71 44.86 Favored 'General case' 0 C--N 1.362 1.113 0 C-N-CA 126.054 1.742 . . . . 17.260000000000002 106.488 174.849 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . 0.285 72.6 mmtt 84.67 -93.28 0.01 OUTLIER 'General case' 0 C--N 1.364 1.226 0 C-N-CA 128.68 2.792 . . . . 14.380000000000001 111.22 -178.867 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 32.2 ttm180 78.14 57.23 0.03 OUTLIER 'General case' 0 C--N 1.37 1.48 0 C-N-CA 129.041 2.936 . . . . 13.85 110.703 -178.222 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 58.2 mtmt -132.81 -10.8 3.06 Favored 'General case' 0 C--N 1.359 1.016 0 C-N-CA 125.241 1.416 . . . . 13.210000000000001 108.506 -173.777 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.401 ' HD3' ' H ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -80.56 146.34 31.31 Favored 'General case' 0 C--N 1.368 1.372 0 C-N-CA 129.528 3.131 . . . . 10.609999999999999 110.691 165.379 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.5 mmm180 -84.19 164.95 18.81 Favored 'General case' 0 C--N 1.369 1.424 0 C-N-CA 130.161 3.385 . . . . 8.1999999999999993 114.471 14.65 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 19.2 m -113.42 138.19 43.9 Favored 'Isoleucine or valine' 0 C--N 1.359 1.012 0 C-N-CA 127.429 2.292 . . . . 4.5700000000000003 109.372 -160.266 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -137.4 137.87 39.27 Favored 'General case' 0 N--CA 1.438 -1.037 0 N-CA-C 105.955 -1.869 . . . . 5.2400000000000002 105.955 175.172 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 -105.89 110.06 22.23 Favored 'General case' 0 C--N 1.365 1.258 0 C-N-CA 126.9 2.08 . . . . 1.6399999999999999 108.122 166.731 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 43.9 m -131.41 -167.57 1.88 Allowed 'General case' 0 C--N 1.35 0.63 0 C-N-CA 128.444 2.697 . . . . 1.3100000000000001 106.589 174.409 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.84 -8.27 57.02 Favored 'General case' 0 C--N 1.37 1.459 0 C-N-CA 127.12 2.168 . . . . 3.73 116.376 -170.401 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.9 -34.29 51.55 Favored 'General case' 0 C--N 1.367 1.333 0 C-N-CA 126.804 2.042 . . . . 1.1299999999999999 112.703 171.554 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 42.9 mm-40 -77.39 -51.38 10.91 Favored 'General case' 0 C--N 1.366 1.304 0 C-N-CA 128.695 2.798 . . . . 0.85999999999999999 110.545 -171.929 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 75.6 p -64.93 -33.5 76.17 Favored 'General case' 0 C--N 1.368 1.397 0 C-N-CA 127.484 2.314 . . . . 1.1200000000000001 112.974 177.294 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -59.75 -64.48 0.93 Allowed 'General case' 0 C--N 1.372 1.569 0 C-N-CA 128.217 2.607 . . . . 1.22 112.928 175.023 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -67.28 -32.59 73.7 Favored 'General case' 0 C--N 1.375 1.711 0 N-CA-C 115.022 1.489 . . . . 1.3100000000000001 115.022 -174.029 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 98.1 mt -67.85 -39.25 83.83 Favored 'General case' 0 C--N 1.361 1.106 0 N-CA-C 116.039 1.866 . . . . 1.0900000000000001 116.039 176.93 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -75.25 -29.25 60.14 Favored 'General case' 0 C--N 1.361 1.08 0 C-N-CA 126.904 2.082 . . . . 1.6599999999999999 114.597 177.659 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.8 mtm180 -69.17 -49.99 51.67 Favored 'General case' 0 C--N 1.374 1.649 0 C-N-CA 124.561 1.144 . . . . 2.54 112.181 176.574 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.456 0.0 OUTLIER -85.38 0.96 50.56 Favored 'General case' 0 C--N 1.375 1.705 0 N-CA-C 114.162 1.171 . . . . 2.54 114.162 179.457 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -78.03 -35.72 49.41 Favored 'General case' 0 C--N 1.374 1.658 0 C-N-CA 125.803 1.641 . . . . 0.82999999999999996 113.206 162.46 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.3 mmm-85 -72.74 -33.82 66.64 Favored 'General case' 0 C--N 1.371 1.521 0 C-N-CA 125.859 1.664 . . . . 4.5700000000000003 114.442 172.978 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 67.1 tp60 -91.82 -26.64 18.43 Favored 'General case' 0 N--CA 1.433 -1.321 0 C-N-CA 127.968 2.507 . . . . 2.5299999999999998 112.695 -175.821 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 18.7 mm100 -143.33 137.62 28.91 Favored 'General case' 0 C--N 1.368 1.377 0 N-CA-C 107.812 -1.181 . . . . 2.04 107.812 -178.397 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . 2.131 0.4 OUTLIER -105.02 67.47 0.79 Allowed 'General case' 0 N--CA 1.5 2.042 0 C-N-CA 127.478 2.311 . . . . 4.25 110.046 154.576 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.441 ' HB3' ' HA ' ' A' ' 34' ' ' LEU 0.381 0.3 OUTLIER -148.24 -108.64 0.08 Allowed 'General case' 0 C--N 1.365 1.241 0 CA-C-O 115.842 -2.028 . . . . 5.9000000000000004 111.829 -167.316 . . . . . . . . 4 4 . 1 . 027 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.441 ' HA ' ' HB3' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -135.22 158.5 44.21 Favored 'General case' 0 C--N 1.381 1.97 3 C-N-CA 141.266 7.826 . . . . 1.28 97.702 19.38 . . . . . . . . 4 4 . 1 . 027 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 27.9 p -84.53 149.75 25.7 Favored 'General case' 0 C--N 1.375 1.696 0 O-C-N 119.632 -1.918 . . . . 2.04 111.125 -170.902 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.73 -39.24 75.94 Favored Pre-proline 0 C--N 1.365 1.256 0 N-CA-C 119.602 3.186 . . . . 1.23 119.602 -167.358 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_exo -66.49 -26.33 47.45 Favored 'Trans proline' 0 C--N 1.364 1.35 0 C-N-CA 124.748 3.632 . . . . 1.3899999999999999 115.474 173.826 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -99.55 -14.36 19.06 Favored 'General case' 0 C--N 1.364 1.221 0 C-N-CA 125.76 1.624 . . . . 1.72 114.082 174.239 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.2 ptt180 -85.83 -40.5 15.94 Favored 'General case' 0 C--N 1.375 1.717 0 CA-C-N 121.315 1.87 . . . . 3.04 112.384 -176.403 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -77.13 -27.63 54.04 Favored 'General case' 0 C--N 1.37 1.469 0 C-N-CA 128.82 2.848 . . . . 1.8600000000000001 111.669 178.266 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 42.7 t-80 -83.94 -25.15 30.34 Favored 'General case' 0 C--N 1.367 1.343 0 C-N-CA 127.625 2.37 . . . . 2.0099999999999998 111.456 -178.477 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -74.88 -31.78 61.69 Favored 'General case' 0 C--N 1.368 1.381 0 C-N-CA 128.127 2.571 . . . . 1.1899999999999999 112.052 170.91 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.5 -27.61 58.85 Favored 'General case' 0 C--N 1.364 1.203 0 C-N-CA 127.216 2.206 . . . . 1.0700000000000001 113.202 173.15 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 49.5 m -85.01 -27.45 26.41 Favored 'General case' 0 C--N 1.361 1.103 0 C-N-CA 126.196 1.798 . . . . 1.03 114.03 173.494 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 50.7 tp -74.39 -39.49 62.65 Favored 'General case' 0 C--N 1.362 1.152 0 C-N-CA 127.52 2.328 . . . . 2.3500000000000001 112.391 179.317 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.9 pt -106.21 -17.75 7.49 Favored 'Isoleucine or valine' 0 C--N 1.363 1.178 0 C-N-CA 124.078 0.951 . . . . 1.0900000000000001 112.099 -173.963 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 12.7 tpp180 87.74 65.01 0.01 OUTLIER 'General case' 0 C--N 1.374 1.656 0 C-N-CA 128.654 2.782 . . . . 3.6099999999999999 113.999 168.581 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 96.8 mt -138.3 -173.46 3.54 Favored 'General case' 0 C--N 1.36 1.062 0 C-N-CA 124.389 1.076 . . . . 1.1799999999999999 108.461 176.383 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.445 HG23 ' H ' ' A' ' 51' ' ' THR . 80.2 p -90.67 144.28 30.24 Favored Pre-proline 0 C--N 1.371 1.532 0 C-N-CA 126.273 1.829 . . . . 1.4099999999999999 109.715 175.447 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -62.07 -21.05 71.74 Favored 'Trans proline' 0 C--N 1.362 1.237 1 C-N-CA 126.032 4.488 . . . . 1.0600000000000001 116.52 172.876 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.445 ' H ' HG23 ' A' ' 49' ' ' THR . 13.5 t -86.33 -27.25 24.43 Favored 'General case' 0 C--N 1.366 1.297 0 C-N-CA 126.082 1.753 . . . . 1.1299999999999999 111.114 -178.588 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -81.73 -32.45 31.57 Favored 'General case' 0 C--N 1.373 1.628 0 CA-C-N 119.185 0.902 . . . . 1.04 112.9 177.171 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.2 p -70.64 -38.35 72.9 Favored 'Isoleucine or valine' 0 C--N 1.376 1.751 0 C-N-CA 125.284 1.434 . . . . 1.0900000000000001 112.566 174.139 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.49 -50.61 72.51 Favored 'General case' 0 C--N 1.375 1.693 0 C-N-CA 126.895 2.078 . . . . 1.74 114.615 171.139 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.276 6.9 mt -84.1 -2.26 6.9 Favored 'Isoleucine or valine' 0 C--N 1.369 1.444 0 N-CA-C 114.642 1.349 . . . . 1.3200000000000001 114.642 177.623 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 31.9 t90 -74.43 -42.04 59.83 Favored 'General case' 0 C--N 1.379 1.858 0 C-N-CA 126.046 1.738 . . . . 0.34000000000000002 110.419 165.916 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -76.22 -19.56 58.27 Favored 'General case' 0 C--N 1.371 1.513 0 C-N-CA 125.005 1.322 . . . . 0.46000000000000002 113.628 175.946 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 18.8 tt0 -78.36 -35.98 46.69 Favored 'General case' 0 C--N 1.363 1.163 0 C-N-CA 127.153 2.181 . . . . 1.3400000000000001 112.996 173.135 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 60.0 m-20 -95.02 -26.63 16.0 Favored 'General case' 0 C--N 1.368 1.377 0 C-N-CA 125.474 1.51 . . . . 0.85999999999999999 114.083 -174.679 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -90.19 17.91 6.54 Favored 'General case' 0 C--N 1.367 1.344 0 C-N-CA 124.892 1.277 . . . . 2.3900000000000001 113.564 -175.591 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . 0.376 0.0 OUTLIER -85.2 -22.86 28.55 Favored 'General case' 0 C--N 1.375 1.674 0 C-N-CA 126.043 1.737 . . . . 3.9100000000000001 113.139 171.989 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 45.0 p90 -163.93 122.06 1.85 Allowed 'General case' 0 N--CA 1.429 -1.502 0 N-CA-C 105.765 -1.939 . . . . 6.3799999999999999 105.765 125.476 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 48.1 tptt -125.02 79.45 1.79 Allowed 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 113.819 -1.537 . . . . 5.9000000000000004 107.235 84.607 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 23.9 m -76.19 5.38 6.97 Favored 'General case' 0 C--N 1.365 1.259 0 C-N-CA 130.19 3.396 . . . . 4.0999999999999996 118.81 -167.36 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.23 -119.14 0.06 Allowed 'General case' 0 C--N 1.366 1.311 0 C-N-CA 126.348 1.859 . . . . 8.1699999999999999 111.208 -170.543 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -172.14 -40.34 0.02 OUTLIER 'General case' 0 C--N 1.353 0.744 0 N-CA-C 105.749 -1.945 . . . . 11.25 105.749 -176.832 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -100.4 103.08 14.44 Favored 'General case' 0 C--N 1.365 1.243 0 C-N-CA 126.766 2.026 . . . . 9.0999999999999996 108.484 178.144 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -105.47 37.72 2.15 Favored 'General case' 0 C--N 1.363 1.154 0 C-N-CA 127.374 2.269 . . . . 9.6899999999999995 110.546 -179.605 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.448 HD21 ' HB2' ' A' ' 73' ' ' TYR . 6.5 t30 -152.35 56.7 0.82 Allowed 'General case' 0 N--CA 1.436 -1.149 0 C-N-CA 129.638 3.175 . . . . 12.300000000000001 103.369 -177.845 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . 0.397 1.9 pm0 -51.19 -82.28 0.01 OUTLIER 'General case' 0 C--N 1.368 1.388 0 C-N-CA 128.945 2.898 . . . . 12.73 118.395 178.213 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.75 133.52 39.76 Favored 'General case' 0 C--N 1.38 1.925 0 CA-C-N 122.384 2.356 . . . . 16.57 109.224 176.118 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 93.0 64.62 1.08 Allowed Glycine 0 C--N 1.361 1.929 0 C-N-CA 126.392 1.949 . . . . 15.41 109.175 -172.846 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.448 ' HB2' HD21 ' A' ' 69' ' ' ASN 2.315 0.7 OUTLIER -69.6 56.59 0.12 Allowed 'General case' 0 C--N 1.369 1.443 0 C-N-CA 130.839 3.656 . . . . 14.050000000000001 116.713 -164.686 . . . . . . . . 4 4 . 1 . 027 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 59.0 mm-40 -97.02 67.61 2.23 Favored 'General case' 0 N--CA 1.444 -0.74 0 C-N-CA 131.069 3.748 . . . . 14.869999999999999 108.93 -178.383 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -171.82 99.61 0.14 Allowed Glycine 0 CA--C 1.494 -1.25 0 N-CA-C 103.857 -3.697 . . . . 15.93 103.857 -177.17 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 75.4 m80 -120.67 98.12 48.2 Favored Pre-proline 0 C--N 1.359 1.004 0 C-N-CA 125.374 1.47 . . . . 18.370000000000001 107.705 -170.029 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo . . . . . 0 C--O 1.262 1.718 0 C-N-CA 123.79 2.993 . . . . 17.68 109.445 -178.786 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.122 0 N-CA-C 110.449 -0.204 . . . . 17.23 110.449 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.2 p -152.57 17.41 0.61 Allowed 'General case' 0 C--N 1.361 1.094 0 N-CA-C 108.796 -0.816 . . . . 16.920000000000002 108.796 -179.509 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -164.43 49.34 0.12 Allowed 'General case' 0 C--N 1.361 1.09 0 N-CA-C 105.094 -2.188 . . . . 17.010000000000002 105.094 -179.985 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.81 -86.6 1.19 Allowed Glycine 0 C--N 1.365 2.183 0 C-N-CA 125.221 1.391 . . . . 15.789999999999999 111.37 -179.391 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 24.5 mt -121.11 166.95 14.32 Favored Pre-proline 0 C--N 1.366 1.296 0 N-CA-C 105.27 -2.122 . . . . 16.199999999999999 105.27 173.903 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -79.95 100.23 1.26 Allowed 'Trans proline' 0 C--N 1.365 1.415 0 C-N-CA 123.865 3.044 . . . . 14.32 109.785 173.188 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -104.07 80.67 1.76 Allowed 'General case' 0 C--N 1.363 1.186 0 C-N-CA 126.285 1.834 . . . . 15.539999999999999 108.35 -169.827 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.417 ' H ' ' H ' ' A' ' 9' ' ' LYS . 65.1 tttm -153.69 -16.07 0.14 Allowed 'General case' 0 C--N 1.354 0.779 0 N-CA-C 105.595 -2.002 . . . . 17.260000000000002 105.595 -178.529 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.417 ' H ' ' H ' ' A' ' 8' ' ' LYS . 20.5 ptmt -121.29 -8.16 9.23 Favored 'General case' 0 C--N 1.361 1.102 0 C-N-CA 127.402 2.281 . . . . 14.380000000000001 108.787 179.571 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 26.4 mmt85 -106.51 127.15 53.09 Favored 'General case' 0 C--N 1.366 1.31 0 C-N-CA 126.319 1.848 . . . . 13.85 108.232 -174.754 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . 0.257 67.5 mttm 82.86 -77.15 0.03 OUTLIER 'General case' 0 C--N 1.367 1.366 0 C-N-CA 129.073 2.949 . . . . 13.210000000000001 111.61 179.288 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.7 ttp180 64.21 -162.17 0.28 Allowed 'General case' 0 C--N 1.366 1.322 0 C-N-CA 129.699 3.2 . . . . 10.609999999999999 117.488 167.211 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 15.6 mmm180 -105.12 162.48 13.35 Favored 'General case' 0 C--N 1.361 1.086 0 C-N-CA 128.011 2.524 . . . . 8.1999999999999993 109.744 -177.095 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.5 m -139.04 137.77 41.96 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.169 0 C-N-CA 128.743 2.817 . . . . 4.5700000000000003 103.807 -171.168 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.2 mp -144.99 146.01 31.75 Favored 'General case' 0 C--N 1.356 0.869 0 N-CA-C 105.644 -1.984 . . . . 5.2400000000000002 105.644 -177.04 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 59.1 m-85 -106.01 97.32 7.15 Favored 'General case' 0 C--N 1.365 1.254 0 C-N-CA 127.987 2.515 . . . . 1.6399999999999999 107.672 174.753 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.6 m -117.61 -166.96 1.25 Allowed 'General case' 0 C--N 1.35 0.59 0 C-N-CA 128.534 2.734 . . . . 1.3100000000000001 107.521 177.478 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.9 pttm -78.42 -6.58 55.69 Favored 'General case' 0 C--N 1.367 1.363 0 C-N-CA 127.24 2.216 . . . . 3.73 115.971 -171.501 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -78.96 -39.43 34.43 Favored 'General case' 0 C--N 1.366 1.307 0 C-N-CA 126.751 2.02 . . . . 1.1299999999999999 112.422 169.627 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 41.1 mm-40 -75.43 -46.42 32.84 Favored 'General case' 0 C--N 1.366 1.308 0 C-N-CA 128.782 2.833 . . . . 0.85999999999999999 111.834 -171.675 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 57.0 p -76.12 -27.93 57.27 Favored 'General case' 0 C--N 1.364 1.201 0 C-N-CA 126.413 1.885 . . . . 1.1200000000000001 111.95 -177.728 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 50.0 t80 -64.87 -52.45 56.5 Favored 'General case' 0 C--N 1.369 1.436 0 C-N-CA 127.595 2.358 . . . . 1.22 112.689 174.943 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -75.17 -33.29 61.46 Favored 'General case' 0 C--N 1.36 1.034 0 N-CA-C 115.84 1.792 . . . . 1.3100000000000001 115.84 -176.493 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 87.0 mt -72.71 -44.31 61.89 Favored 'General case' 0 C--N 1.363 1.161 0 C-N-CA 126.074 1.749 . . . . 1.0900000000000001 114.535 178.198 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -69.81 -31.65 69.65 Favored 'General case' 0 C--N 1.364 1.226 0 C-N-CA 126.746 2.018 . . . . 1.6599999999999999 115.07 173.935 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.5 ptm180 -78.81 -29.03 44.58 Favored 'General case' 0 C--N 1.371 1.519 0 N-CA-C 115.085 1.513 . . . . 2.54 115.085 179.954 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 30.8 mmm-85 -79.72 -22.22 43.61 Favored 'General case' 0 C--N 1.369 1.42 0 C-N-CA 124.017 0.927 . . . . 2.54 112.857 165.776 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -78.29 -32.43 49.41 Favored 'General case' 0 C--N 1.365 1.251 0 O-C-N 120.134 -1.604 . . . . 0.82999999999999996 114.048 179.308 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 11.4 mmt85 -79.53 -44.56 20.94 Favored 'General case' 0 C--N 1.366 1.298 0 C-N-CA 125.56 1.544 . . . . 4.5700000000000003 114.094 178.824 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 66.1 tp60 -90.98 -18.24 24.98 Favored 'General case' 0 C--N 1.363 1.167 0 C-N-CA 127.297 2.239 . . . . 2.5299999999999998 112.494 -173.478 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -142.59 178.98 7.25 Favored 'General case' 0 C--N 1.36 1.05 0 N-CA-C 108.451 -0.944 . . . . 2.04 108.451 -172.327 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 72.2 mtt85 -105.53 -77.57 0.59 Allowed 'General case' 0 C--N 1.367 1.355 0 N-CA-C 106.505 -1.665 . . . . 4.25 106.505 120.676 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . 0.382 15.6 t80 86.94 -55.98 0.05 OUTLIER 'General case' 0 C--N 1.361 1.081 1 C-N-CA 133.633 4.773 . . . . 5.9000000000000004 113.206 149.233 . . . . . . . . 3 2 . 1 . 028 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . 0.276 0.0 OUTLIER -58.65 107.84 0.56 Allowed 'General case' 0 C--N 1.354 0.799 0 C-N-CA 130.999 3.72 . . . . 1.28 114.146 178.32 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.4 t -110.46 -175.96 2.86 Favored 'General case' 0 C--N 1.363 1.189 0 N-CA-C 104.936 -2.246 . . . . 2.04 104.936 176.113 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . 0.255 . . -47.5 -45.78 57.99 Favored Pre-proline 0 C--N 1.365 1.264 0 N-CA-C 120.257 3.429 . . . . 1.23 120.257 -164.262 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_exo -68.83 -34.34 18.36 Favored 'Trans proline' 0 C--N 1.36 1.166 0 C-N-CA 124.285 3.323 . . . . 1.3899999999999999 114.686 178.497 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -93.84 -13.11 27.63 Favored 'General case' 0 C--N 1.364 1.206 0 C-N-CA 126.53 1.932 . . . . 1.72 113.809 179.529 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 52.4 ttp180 -83.99 -28.5 27.69 Favored 'General case' 0 C--N 1.371 1.538 0 C-N-CA 127.007 2.123 . . . . 3.04 111.873 174.428 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 58.4 mm-40 -78.85 -21.52 47.46 Favored 'General case' 0 C--N 1.371 1.519 0 C-N-CA 126.696 1.998 . . . . 1.8600000000000001 112.279 173.174 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 24.6 t60 -83.58 -28.21 28.7 Favored 'General case' 0 C--N 1.363 1.191 0 C-N-CA 128.015 2.526 . . . . 2.0099999999999998 111.35 177.983 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.52 -52.02 30.24 Favored 'General case' 0 C--N 1.37 1.465 0 C-N-CA 129.323 3.049 . . . . 1.1899999999999999 111.49 174.279 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.31 -32.16 73.67 Favored 'General case' 0 C--N 1.356 0.876 0 C-N-CA 129.849 3.26 . . . . 1.0700000000000001 116.07 177.355 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 75.5 m -85.17 -28.63 25.35 Favored 'General case' 0 C--N 1.362 1.132 0 C-N-CA 125.399 1.48 . . . . 1.03 113.568 176.584 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 37.0 tp -74.05 -34.27 64.01 Favored 'General case' 0 C--N 1.361 1.069 0 C-N-CA 126.17 1.788 . . . . 2.3500000000000001 113.321 175.529 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . 0.25 1.5 pt -106.13 -20.75 5.8 Favored 'Isoleucine or valine' 0 C--N 1.365 1.275 0 C-N-CA 124.506 1.122 . . . . 1.0900000000000001 112.162 -173.074 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.7 tpp180 94.78 58.59 0.0 OUTLIER 'General case' 0 C--N 1.378 1.822 0 C-N-CA 130.38 3.472 . . . . 3.6099999999999999 115.162 165.712 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 90.8 mt -130.85 -171.44 2.57 Favored 'General case' 0 C--N 1.358 0.977 0 O-C-N 120.85 -1.156 . . . . 1.1799999999999999 110.044 179.72 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 79.6 p -95.78 147.03 32.35 Favored Pre-proline 0 C--N 1.368 1.372 0 C-N-CA 127.814 2.445 . . . . 1.4099999999999999 108.786 177.897 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -61.11 -22.27 74.18 Favored 'Trans proline' 0 C--N 1.364 1.38 1 C-N-CA 126.146 4.564 . . . . 1.0600000000000001 116.51 172.69 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.6 t -88.07 -27.34 22.03 Favored 'General case' 0 C--N 1.367 1.33 0 C-N-CA 126.017 1.727 . . . . 1.1299999999999999 111.125 -176.214 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -83.39 -33.25 25.81 Favored 'General case' 0 C--N 1.37 1.475 0 CA-C-N 119.681 1.128 . . . . 1.04 112.381 177.728 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.1 p -68.68 -40.58 81.84 Favored 'Isoleucine or valine' 0 C--N 1.379 1.856 0 C-N-CA 125.421 1.489 . . . . 1.0900000000000001 113.496 172.357 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.66 -50.17 74.07 Favored 'General case' 0 C--N 1.375 1.691 0 C-N-CA 129.013 2.925 . . . . 1.74 113.282 173.014 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.278 6.4 mt -85.83 -5.5 9.9 Favored 'Isoleucine or valine' 0 C--N 1.367 1.352 0 N-CA-C 114.758 1.392 . . . . 1.3200000000000001 114.758 -179.29 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 13.6 t90 -75.71 -44.0 44.22 Favored 'General case' 0 C--N 1.379 1.882 0 C-N-CA 125.397 1.479 . . . . 0.34000000000000002 110.626 168.88 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -82.99 -14.61 53.7 Favored 'General case' 0 C--N 1.372 1.574 0 C-N-CA 125.773 1.629 . . . . 0.46000000000000002 113.347 179.226 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -74.33 -41.25 61.42 Favored 'General case' 0 C--N 1.361 1.097 0 C-N-CA 126.946 2.099 . . . . 1.3400000000000001 113.279 172.736 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 50.4 m-20 -90.1 -23.4 21.4 Favored 'General case' 0 C--N 1.367 1.33 0 C-N-CA 125.91 1.684 . . . . 0.85999999999999999 113.633 -172.075 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 11.4 m80 -75.62 -34.78 60.6 Favored 'General case' 0 C--N 1.365 1.242 0 C-N-CA 126.476 1.91 . . . . 2.3900000000000001 115.411 -179.339 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -85.49 12.57 8.24 Favored 'General case' 0 C--N 1.365 1.259 0 C-N-CA 126.371 1.868 . . . . 3.9100000000000001 115.485 -177.542 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . 2.459 6.8 t80 -177.73 76.77 0.02 OUTLIER 'General case' 0 CA--C 1.496 -1.107 0 N-CA-C 107.116 -1.439 . . . . 6.3799999999999999 107.116 150.833 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 166.51 103.61 0.0 OUTLIER 'General case' 0 CA--C 1.506 -0.748 0 C-N-CA 131.05 3.74 . . . . 5.9000000000000004 104.851 147.035 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 20.6 p -79.0 70.95 5.42 Favored 'General case' 0 C--N 1.367 1.341 0 C-N-CA 130.806 3.642 . . . . 4.0999999999999996 115.111 -168.304 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 20.4 ptmt -74.15 26.22 0.08 Allowed 'General case' 0 C--N 1.347 0.483 1 C-N-CA 133.426 4.69 . . . . 8.1699999999999999 115.713 167.523 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.428 ' HG2' ' H ' ' A' ' 67' ' ' ALA . 41.2 ttp85 -107.93 -156.76 0.59 Allowed 'General case' 0 C--N 1.365 1.252 0 C-N-CA 126.144 1.778 . . . . 11.25 107.831 -173.0 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.428 ' H ' ' HG2' ' A' ' 66' ' ' ARG . . . -100.18 79.67 2.19 Favored 'General case' 0 C--N 1.367 1.344 0 C-N-CA 125.817 1.647 . . . . 9.0999999999999996 110.429 -178.09 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -106.27 107.46 18.48 Favored 'General case' 0 N--CA 1.442 -0.851 0 C-N-CA 127.412 2.285 . . . . 9.6899999999999995 107.092 164.839 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -125.1 64.97 1.13 Allowed 'General case' 0 CA--C 1.497 -1.096 0 N-CA-C 105.704 -1.962 . . . . 12.300000000000001 105.704 172.182 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.04 152.33 21.74 Favored 'General case' 0 C--N 1.362 1.149 0 CA-C-N 111.372 -2.649 . . . . 12.73 105.43 137.856 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 23.2 pttp -49.8 112.04 0.6 Allowed 'General case' 0 C--N 1.349 0.567 0 C-N-CA 130.578 3.551 . . . . 16.57 118.127 -156.326 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 83.93 77.86 1.12 Allowed Glycine 0 C--N 1.358 1.776 0 C-N-CA 128.907 3.146 . . . . 15.41 112.483 -177.219 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -66.04 -46.76 76.68 Favored 'General case' 0 C--N 1.367 1.335 0 C-N-CA 128.376 2.67 . . . . 14.050000000000001 116.168 -175.289 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -82.06 60.65 4.97 Favored 'General case' 0 C--N 1.348 0.541 0 C-N-CA 131.055 3.742 . . . . 14.869999999999999 111.328 167.991 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -123.4 -94.36 1.13 Allowed Glycine 0 C--N 1.355 1.621 0 N-CA-C 106.225 -2.75 . . . . 15.93 106.225 176.918 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 62.8 t-80 -127.77 99.13 26.61 Favored Pre-proline 0 C--N 1.362 1.114 0 N-CA-C 106.197 -1.779 . . . . 18.370000000000001 106.197 170.804 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo . . . . . 0 C--O 1.261 1.632 0 C-N-CA 123.571 2.847 . . . . 17.68 110.624 176.461 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.51 0.195 . . . . 17.23 110.81 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.3 t -144.47 23.87 1.6 Allowed 'General case' 0 C--N 1.36 1.044 0 N-CA-C 107.173 -1.418 . . . . 16.920000000000002 107.173 179.875 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -156.22 142.41 18.26 Favored 'General case' 0 C--N 1.364 1.198 0 N-CA-C 104.518 -2.401 . . . . 17.010000000000002 104.518 176.78 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.11 -139.21 2.7 Favored Glycine 0 C--N 1.356 1.665 0 N-CA-C 107.205 -2.358 . . . . 15.789999999999999 107.205 179.73 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -148.08 79.51 9.11 Favored Pre-proline 0 C--N 1.358 0.97 0 N-CA-C 107.508 -1.293 . . . . 16.199999999999999 107.508 179.593 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -90.21 82.58 0.49 Allowed 'Trans proline' 0 C--N 1.366 1.449 0 C-N-CA 123.094 2.529 . . . . 14.32 110.027 178.433 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -105.52 150.44 25.34 Favored 'General case' 0 C--N 1.362 1.124 0 C-N-CA 126.648 1.979 . . . . 15.539999999999999 109.722 -178.899 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -106.76 57.41 0.64 Allowed 'General case' 0 C--N 1.363 1.154 0 C-N-CA 126.461 1.904 . . . . 17.260000000000002 107.388 -178.654 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -124.03 -7.11 7.77 Favored 'General case' 0 C--N 1.362 1.121 0 C-N-CA 126.73 2.012 . . . . 14.380000000000001 107.83 -179.178 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.1 ptp85 -99.38 -28.93 13.05 Favored 'General case' 0 C--N 1.366 1.298 0 C-N-CA 127.333 2.253 . . . . 13.85 108.987 175.157 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . 2.422 41.5 mttp 152.36 -103.26 0.0 OUTLIER 'General case' 0 C--N 1.36 1.027 0 N-CA-C 105.659 -1.978 . . . . 13.210000000000001 105.659 172.835 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . 0.271 16.7 ptm180 40.91 82.51 0.02 OUTLIER 'General case' 0 C--N 1.371 1.511 0 C-N-CA 131.605 3.962 . . . . 10.609999999999999 119.389 174.355 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 48.5 mmm-85 -104.96 173.4 6.32 Favored 'General case' 0 C--N 1.368 1.371 0 C-N-CA 131.141 3.777 . . . . 8.1999999999999993 107.907 6.954 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.6 m -140.66 138.86 35.42 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.999 0 C-N-CA 128.075 2.55 . . . . 4.5700000000000003 104.853 -169.629 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -133.88 136.76 44.54 Favored 'General case' 0 N--CA 1.44 -0.971 0 N-CA-C 106.308 -1.738 . . . . 5.2400000000000002 106.308 -177.352 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 59.1 m-85 -106.24 96.14 6.26 Favored 'General case' 0 N--CA 1.433 -1.277 0 C-N-CA 128.17 2.588 . . . . 1.6399999999999999 107.054 168.817 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.9 m -116.39 -166.76 1.18 Allowed 'General case' 0 C--N 1.349 0.557 0 C-N-CA 127.619 2.367 . . . . 1.3100000000000001 107.763 177.878 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.9 pptp? -75.66 -11.65 60.05 Favored 'General case' 0 C--N 1.368 1.391 0 C-N-CA 127.319 2.248 . . . . 3.73 116.046 -170.82 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -79.53 -37.09 37.38 Favored 'General case' 0 C--N 1.367 1.342 0 C-N-CA 126.863 2.065 . . . . 1.1299999999999999 112.575 172.54 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 45.9 mm-40 -75.56 -43.57 47.85 Favored 'General case' 0 C--N 1.368 1.395 0 C-N-CA 128.548 2.739 . . . . 0.85999999999999999 111.405 -174.516 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 61.0 p -73.31 -32.97 64.92 Favored 'General case' 0 C--N 1.366 1.319 0 C-N-CA 126.785 2.034 . . . . 1.1200000000000001 112.463 179.799 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -64.17 -50.36 68.46 Favored 'General case' 0 C--N 1.369 1.421 0 C-N-CA 127.798 2.439 . . . . 1.22 112.976 177.115 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -73.64 -35.6 65.31 Favored 'General case' 0 C--N 1.359 0.99 0 N-CA-C 115.394 1.628 . . . . 1.3100000000000001 115.394 -177.259 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 90.8 mt -70.43 -42.55 71.41 Favored 'General case' 0 C--N 1.363 1.186 0 C-N-CA 126.189 1.795 . . . . 1.0900000000000001 114.667 178.509 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -68.47 -33.52 74.31 Favored 'General case' 0 C--N 1.363 1.167 0 C-N-CA 126.872 2.069 . . . . 1.6599999999999999 115.299 171.974 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.5 ptm180 -78.55 -27.03 45.79 Favored 'General case' 0 C--N 1.366 1.323 0 N-CA-C 115.896 1.813 . . . . 2.54 115.896 -177.544 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.269 1.6 mmm180 -78.07 -31.08 50.01 Favored 'General case' 0 C--N 1.369 1.442 0 C-N-CA 123.734 0.814 . . . . 2.54 112.016 164.029 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -70.65 -25.44 63.01 Favored 'General case' 0 C--N 1.371 1.534 0 C-N-CA 126.932 2.093 . . . . 0.82999999999999996 114.52 -178.578 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 37.3 mmt-85 -79.31 -37.98 36.39 Favored 'General case' 0 C--N 1.366 1.326 0 C-N-CA 125.599 1.56 . . . . 4.5700000000000003 113.3 178.899 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 62.3 tp60 -91.14 -25.08 19.76 Favored 'General case' 0 C--N 1.364 1.225 0 C-N-CA 127.983 2.513 . . . . 2.5299999999999998 112.632 -175.116 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -159.66 154.12 23.99 Favored 'General case' 0 C--N 1.364 1.213 0 N-CA-C 107.297 -1.371 . . . . 2.04 107.297 -172.502 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 77.9 mtt85 -105.17 -35.69 7.51 Favored 'General case' 0 C--N 1.36 1.026 0 C-N-CA 125.163 1.385 . . . . 4.25 109.734 -179.634 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 -116.83 137.77 51.97 Favored 'General case' 0 C--N 1.358 0.977 0 C-N-CA 126.301 1.84 . . . . 5.9000000000000004 109.034 -178.222 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -148.26 116.2 6.41 Favored 'General case' 0 CA--C 1.5 -0.975 0 C-N-CA 128.843 2.857 . . . . 1.28 103.96 -174.459 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . 2.311 15.1 t -96.7 177.18 5.73 Favored 'General case' 0 C--N 1.375 1.701 0 C-N-CA 127.358 2.263 . . . . 2.04 107.259 -170.127 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . 2.281 . . -9.73 -76.32 0.0 OUTLIER Pre-proline 0 C--N 1.361 1.101 2 C-N-CA 133.015 4.526 . . . . 1.23 122.558 -178.761 . . . . . . . . 3 2 . 1 . 029 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -74.29 -40.34 1.24 Allowed 'Trans proline' 0 C--N 1.363 1.338 1 C-N-CA 125.603 4.202 . . . . 1.3899999999999999 111.615 -160.646 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -81.16 -25.03 37.15 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 128.37 2.668 . . . . 1.72 114.94 174.272 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.36 -37.09 26.14 Favored 'General case' 0 C--N 1.38 1.935 0 CA-C-N 121.179 1.809 . . . . 3.04 112.26 -172.952 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -85.13 -19.12 32.3 Favored 'General case' 0 C--N 1.368 1.383 0 C-N-CA 127.575 2.35 . . . . 1.8600000000000001 111.732 -178.673 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 57.4 t-80 -81.58 -23.35 37.16 Favored 'General case' 0 C--N 1.368 1.37 0 C-N-CA 127.625 2.37 . . . . 2.0099999999999998 112.252 175.033 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -69.48 -42.28 75.02 Favored 'General case' 0 C--N 1.368 1.41 0 C-N-CA 127.836 2.455 . . . . 1.1899999999999999 111.722 167.89 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.99 -32.16 71.52 Favored 'General case' 0 C--N 1.363 1.191 0 C-N-CA 127.815 2.446 . . . . 1.0700000000000001 115.789 173.599 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 66.4 m -83.95 -33.33 24.68 Favored 'General case' 0 C--N 1.361 1.076 0 C-N-CA 125.127 1.371 . . . . 1.03 113.976 -177.251 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 69.1 mt -84.21 -24.77 29.91 Favored 'General case' 0 C--N 1.359 1.003 0 C-N-CA 125.539 1.536 . . . . 2.3500000000000001 113.419 177.348 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.6 pt -95.2 -22.11 5.45 Favored 'Isoleucine or valine' 0 C--N 1.37 1.493 0 CA-C-N 119.116 0.871 . . . . 1.0900000000000001 112.276 176.392 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 85.47 63.55 0.01 OUTLIER 'General case' 0 C--N 1.373 1.599 0 C-N-CA 129.475 3.11 . . . . 3.6099999999999999 111.697 172.132 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 87.5 mt -139.19 -174.55 3.89 Favored 'General case' 0 C--N 1.361 1.075 0 N-CA-C 107.124 -1.436 . . . . 1.1799999999999999 107.124 170.9 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 81.6 p -95.82 148.51 34.67 Favored Pre-proline 0 C--N 1.368 1.398 0 C-N-CA 126.29 1.836 . . . . 1.4099999999999999 109.216 -179.04 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_exo -60.71 -20.95 67.86 Favored 'Trans proline' 0 C--N 1.367 1.537 1 C-N-CA 126.139 4.559 . . . . 1.0600000000000001 116.471 171.911 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.6 t -87.05 -28.61 22.48 Favored 'General case' 0 C--N 1.367 1.329 0 C-N-CA 126.256 1.822 . . . . 1.1299999999999999 111.387 -177.395 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -83.84 -29.82 26.98 Favored 'General case' 0 C--N 1.373 1.612 0 CA-C-N 119.446 1.021 . . . . 1.04 112.916 177.484 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.1 p -68.61 -40.99 82.59 Favored 'Isoleucine or valine' 0 C--N 1.38 1.902 0 C-N-CA 124.962 1.305 . . . . 1.0900000000000001 111.737 170.883 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . 0.3 0.0 OUTLIER -65.33 -34.61 78.74 Favored 'General case' 0 C--N 1.37 1.472 0 N-CA-C 116.976 2.213 . . . . 1.74 116.976 171.243 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.278 0.3 OUTLIER -77.28 -15.49 14.47 Favored 'Isoleucine or valine' 0 C--N 1.384 2.091 0 CA-C-N 121.591 1.996 . . . . 1.3200000000000001 114.016 170.087 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 39.8 t90 -73.38 -41.34 63.48 Favored 'General case' 0 C--N 1.381 1.941 0 C-N-CA 125.569 1.548 . . . . 0.34000000000000002 112.415 175.4 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -83.51 -12.51 56.15 Favored 'General case' 0 C--N 1.369 1.414 0 C-N-CA 126.028 1.731 . . . . 0.46000000000000002 112.689 179.19 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -72.79 -44.04 62.02 Favored 'General case' 0 C--N 1.366 1.306 0 C-N-CA 127.01 2.124 . . . . 1.3400000000000001 112.603 164.975 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 45.2 m-20 -92.37 -13.78 29.64 Favored 'General case' 0 C--N 1.366 1.322 0 N-CA-C 116.514 2.042 . . . . 0.85999999999999999 116.514 -164.566 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.485 ' CE1' HG21 ' A' ' 64' ' ' THR . 3.7 t-80 -71.33 -68.48 0.44 Allowed 'General case' 0 C--N 1.365 1.263 0 CA-C-N 120.583 1.538 . . . . 2.3900000000000001 112.761 166.453 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . 0.351 0.0 OUTLIER -27.86 40.36 0.0 OUTLIER 'General case' 0 C--N 1.367 1.347 1 C-N-CA 136.894 6.078 . . . . 3.9100000000000001 119.822 -144.076 . . . . . . . . 4 3 . 1 . 029 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -130.32 -120.67 0.22 Allowed 'General case' 0 C--N 1.364 1.196 0 C-N-CA 127.843 2.457 . . . . 6.3799999999999999 105.772 -178.947 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . 2.268 0.0 OUTLIER -90.11 -40.75 12.06 Favored 'General case' 0 CA--C 1.5 -0.954 0 C-N-CA 130.771 3.629 . . . . 5.9000000000000004 113.689 -162.81 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.485 HG21 ' CE1' ' A' ' 60' ' ' HIS . 0.7 OUTLIER -44.59 -19.12 0.02 OUTLIER 'General case' 0 C--N 1.368 1.379 0 N-CA-C 121.282 3.808 . . . . 4.0999999999999996 121.282 -119.447 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . 2.311 0.0 OUTLIER -29.79 -51.94 0.13 Allowed 'General case' 0 C--N 1.372 1.584 1 C-N-CA 134.752 5.221 . . . . 8.1699999999999999 119.194 -176.094 . . . . . . . . 4 3 . 1 . 029 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 79.8 ttt-85 -108.57 149.87 28.27 Favored 'General case' 0 C--N 1.362 1.123 0 C-N-CA 126.461 1.904 . . . . 11.25 107.371 177.538 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -95.5 108.95 21.22 Favored 'General case' 0 C--N 1.363 1.179 0 C-N-CA 126.837 2.055 . . . . 9.0999999999999996 108.629 179.395 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -100.59 91.48 4.68 Favored 'General case' 0 C--N 1.362 1.133 0 C-N-CA 125.654 1.582 . . . . 9.6899999999999995 109.181 -175.07 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 32.9 t30 -154.1 66.2 0.72 Allowed 'General case' 0 N--CA 1.442 -0.871 0 N-CA-C 105.008 -2.219 . . . . 12.300000000000001 105.008 -178.138 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . 0.281 5.6 mp0 -75.67 82.13 2.66 Favored 'General case' 0 C--N 1.368 1.406 0 CA-C-O 123.23 1.49 . . . . 12.73 114.948 173.251 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 32.5 mmmt -167.0 8.92 0.03 OUTLIER 'General case' 0 CA--C 1.496 -1.129 0 CA-C-N 111.005 -2.816 . . . . 16.57 114.023 -163.069 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 96.6 55.47 1.24 Allowed Glycine 0 N--CA 1.466 0.656 0 C-N-CA 126.439 1.971 . . . . 15.41 112.52 -179.204 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . 0.305 11.3 p90 -73.78 -62.05 1.63 Allowed 'General case' 0 C--N 1.363 1.177 0 C-N-CA 127.777 2.431 . . . . 14.050000000000001 114.11 179.04 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -99.45 46.62 0.97 Allowed 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 129.289 3.036 . . . . 14.869999999999999 111.355 172.394 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 178.63 -153.46 12.73 Favored Glycine 0 C--N 1.355 1.587 0 N-CA-C 106.994 -2.443 . . . . 15.93 106.994 179.938 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 21.8 p80 -108.21 147.81 36.32 Favored Pre-proline 0 C--N 1.361 1.088 0 C-N-CA 126.107 1.763 . . . . 18.370000000000001 108.232 179.805 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 70.8 Cg_exo . . . . . 0 C--O 1.261 1.652 0 C-N-CA 123.681 2.921 . . . . 17.68 111.218 172.706 . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.321 0 N-CA-C 110.304 -0.258 . . . . 17.23 110.304 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.2 m -137.23 27.15 2.88 Favored 'General case' 0 C--N 1.361 1.087 0 C-N-CA 125.529 1.532 . . . . 16.920000000000002 107.101 179.738 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -128.46 99.95 5.59 Favored 'General case' 0 C--N 1.368 1.391 0 N-CA-C 106.221 -1.77 . . . . 17.010000000000002 106.221 -179.611 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.97 -157.05 7.06 Favored Glycine 0 C--N 1.359 1.837 0 N-CA-C 107.149 -2.381 . . . . 15.789999999999999 107.149 178.241 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.9 mp -132.83 81.13 59.19 Favored Pre-proline 0 C--N 1.361 1.102 0 C-N-CA 124.9 1.28 . . . . 16.199999999999999 108.924 178.842 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_endo -89.06 82.13 0.7 Allowed 'Trans proline' 0 C--N 1.364 1.345 0 C-N-CA 123.66 2.907 . . . . 14.32 109.143 167.242 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 56.5 t30 -154.63 -113.73 0.03 OUTLIER 'General case' 0 C--N 1.359 1.002 0 N-CA-C 104.228 -2.508 . . . . 15.539999999999999 104.228 -175.57 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -118.14 156.99 27.74 Favored 'General case' 0 C--N 1.362 1.126 0 C-N-CA 125.987 1.715 . . . . 17.260000000000002 107.011 178.741 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 59.2 tptt -133.5 -32.56 1.14 Allowed 'General case' 0 C--N 1.356 0.869 0 N-CA-C 105.16 -2.163 . . . . 14.380000000000001 105.16 174.242 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.93 161.72 35.92 Favored 'General case' 0 C--N 1.358 0.969 0 N-CA-C 104.844 -2.28 . . . . 13.85 104.844 177.571 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -124.84 135.56 53.02 Favored 'General case' 0 C--N 1.36 1.036 0 N-CA-C 106.652 -1.61 . . . . 13.210000000000001 106.652 177.995 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . 2.206 44.8 mtm105 -44.07 -119.42 0.0 OUTLIER 'General case' 0 C--N 1.363 1.195 1 C-N-CA 132.918 4.487 . . . . 10.609999999999999 120.922 -173.543 . . . . . . . . 3 2 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 22.9 mmm180 -100.65 179.45 4.42 Favored 'General case' 0 C--N 1.374 1.669 0 C-N-CA 130.429 3.492 . . . . 8.1999999999999993 107.973 4.164 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 2.027 4.9 m -66.82 -84.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.364 1.217 0 C-N-CA 129.461 3.104 . . . . 4.5700000000000003 115.656 -154.661 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -56.72 137.48 54.27 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 130.838 3.655 . . . . 5.2400000000000002 115.74 -168.521 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 13.6 m-30 -95.79 146.85 24.21 Favored 'General case' 0 C--N 1.361 1.084 0 C-N-CA 127.727 2.411 . . . . 1.6399999999999999 112.053 -161.096 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 36.3 m -116.46 -168.93 1.53 Allowed 'General case' 0 C--N 1.365 1.278 0 C-N-CA 127.247 2.219 . . . . 1.3100000000000001 107.371 173.721 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 36.3 mttp -85.05 19.99 2.01 Favored 'General case' 0 C--N 1.37 1.46 0 C-N-CA 127.12 2.168 . . . . 3.73 114.692 -169.662 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.33 -49.48 8.11 Favored 'General case' 0 C--N 1.36 1.033 0 C-N-CA 126.65 1.98 . . . . 1.1299999999999999 112.157 154.455 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 40.1 mm-40 -78.59 -48.8 14.45 Favored 'General case' 0 C--N 1.368 1.372 0 C-N-CA 128.671 2.788 . . . . 0.85999999999999999 112.43 -166.704 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 70.3 p -70.75 -30.23 66.68 Favored 'General case' 0 C--N 1.369 1.436 0 C-N-CA 127.863 2.465 . . . . 1.1200000000000001 112.358 179.57 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 51.8 t80 -67.07 -49.8 63.85 Favored 'General case' 0 C--N 1.365 1.263 0 C-N-CA 129.146 2.978 . . . . 1.22 112.882 179.121 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -72.52 -37.1 68.44 Favored 'General case' 0 C--N 1.361 1.078 0 C-N-CA 126.216 1.807 . . . . 1.3100000000000001 115.501 -178.846 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 94.4 mt -69.5 -41.7 75.72 Favored 'General case' 0 C--N 1.363 1.165 0 C-N-CA 125.881 1.672 . . . . 1.0900000000000001 114.807 177.769 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -71.0 -32.82 69.73 Favored 'General case' 0 C--N 1.364 1.22 0 C-N-CA 126.201 1.8 . . . . 1.6599999999999999 114.862 175.136 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.2 ptp180 -74.26 -40.61 62.23 Favored 'General case' 0 C--N 1.375 1.715 0 N-CA-C 114.727 1.38 . . . . 2.54 114.727 179.216 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.613 3.1 ptm180 -86.43 2.67 46.88 Favored 'General case' 0 C--N 1.367 1.34 0 N-CA-C 116.215 1.931 . . . . 2.54 116.215 176.883 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 27.8 t80 -78.35 -42.39 30.63 Favored 'General case' 0 C--N 1.381 1.957 0 C-N-CA 126.587 1.955 . . . . 0.82999999999999996 112.888 152.349 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.75 -29.33 62.16 Favored 'General case' 0 C--N 1.368 1.394 0 C-N-CA 126.878 2.071 . . . . 4.5700000000000003 113.094 -176.421 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 62.9 tp60 -87.84 -27.53 22.19 Favored 'General case' 0 C--N 1.367 1.349 0 C-N-CA 127.622 2.369 . . . . 2.5299999999999998 112.182 -179.824 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -169.74 163.76 9.92 Favored 'General case' 0 C--N 1.369 1.432 0 CA-C-O 122.19 0.995 . . . . 2.04 109.416 178.634 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.546 HH12 ' HE ' ' A' ' 61' ' ' ARG . 5.4 mtp-105 -105.42 -38.79 6.36 Favored 'General case' 0 C--N 1.355 0.823 0 C-N-CA 127.241 2.216 . . . . 4.25 113.512 -177.142 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 51.9 p90 -77.83 -24.06 48.8 Favored 'General case' 0 C--N 1.365 1.264 0 N-CA-C 116.754 2.131 . . . . 5.9000000000000004 116.754 -150.432 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.406 HD13 ' HB2' ' A' ' 39' ' ' ARG 0.263 0.5 OUTLIER -33.22 106.57 0.04 OUTLIER 'General case' 0 N--CA 1.487 1.423 1 C-N-CA 132.899 4.48 . . . . 1.28 116.891 -164.398 . . . . . . . . 5 4 . 1 . 030 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 14.4 m -110.55 171.2 7.6 Favored 'General case' 0 C--N 1.355 0.843 0 C-N-CA 129.776 3.23 . . . . 2.04 106.03 -173.985 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -39.09 -37.76 0.61 Allowed Pre-proline 0 C--N 1.368 1.396 1 N-CA-C 122.122 4.119 . . . . 1.23 122.122 -164.995 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo -65.62 -33.56 44.86 Favored 'Trans proline' 0 C--N 1.358 1.032 0 C-N-CA 124.403 3.402 . . . . 1.3899999999999999 115.502 175.619 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -103.81 -24.69 13.29 Favored 'General case' 0 C--N 1.362 1.129 0 C-N-CA 126.393 1.877 . . . . 1.72 114.865 177.646 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.406 ' HB2' HD13 ' A' ' 34' ' ' LEU . 0.7 OUTLIER -82.22 -35.27 28.41 Favored 'General case' 0 C--N 1.374 1.661 0 C-N-CA 126.226 1.811 . . . . 3.04 111.153 -176.75 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -83.0 -20.49 35.01 Favored 'General case' 0 C--N 1.373 1.602 0 C-N-CA 126.222 1.809 . . . . 1.8600000000000001 112.293 179.032 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 23.1 t60 -78.44 -28.31 46.67 Favored 'General case' 0 C--N 1.367 1.338 0 C-N-CA 128.155 2.582 . . . . 2.0099999999999998 111.187 175.722 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -71.95 -38.72 69.73 Favored 'General case' 0 C--N 1.37 1.492 0 C-N-CA 127.802 2.441 . . . . 1.1899999999999999 112.73 170.902 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -74.7 -28.72 60.94 Favored 'General case' 0 C--N 1.361 1.104 0 C-N-CA 127.392 2.277 . . . . 1.0700000000000001 113.877 -179.387 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 59.2 m -85.18 -29.34 24.81 Favored 'General case' 0 C--N 1.361 1.078 0 C-N-CA 126.122 1.769 . . . . 1.03 113.53 175.08 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -75.11 -36.82 61.64 Favored 'General case' 0 C--N 1.364 1.23 0 C-N-CA 127.183 2.193 . . . . 2.3500000000000001 112.515 177.222 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.5 pt -103.14 -19.27 6.24 Favored 'Isoleucine or valine' 0 C--N 1.366 1.294 0 C-N-CA 124.277 1.031 . . . . 1.0900000000000001 112.355 -173.922 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 13.2 tpp85 83.24 66.93 0.02 OUTLIER 'General case' 0 C--N 1.372 1.562 0 C-N-CA 128.995 2.918 . . . . 3.6099999999999999 113.313 174.102 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 86.5 mt -141.55 -170.35 3.08 Favored 'General case' 0 C--N 1.359 1.014 0 N-CA-C 107.095 -1.446 . . . . 1.1799999999999999 107.095 173.746 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 18.8 p -109.71 158.49 34.66 Favored Pre-proline 0 C--N 1.367 1.352 0 C-N-CA 126.275 1.83 . . . . 1.4099999999999999 110.538 -175.649 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_exo -67.04 -25.26 44.27 Favored 'Trans proline' 0 C--N 1.373 1.86 1 C-N-CA 125.866 4.377 . . . . 1.0600000000000001 115.765 -174.78 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 12.4 t -87.3 -26.92 23.19 Favored 'General case' 0 C--N 1.365 1.253 0 C-N-CA 127.035 2.134 . . . . 1.1299999999999999 111.132 -173.896 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -84.6 -33.79 23.29 Favored 'General case' 0 C--N 1.371 1.51 0 C-N-CA 124.239 1.016 . . . . 1.04 112.442 178.697 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.1 p -67.55 -36.89 77.65 Favored 'Isoleucine or valine' 0 C--N 1.381 1.944 0 C-N-CA 124.432 1.093 . . . . 1.0900000000000001 113.013 168.627 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.9 -56.96 9.79 Favored 'General case' 0 C--N 1.37 1.499 0 C-N-CA 128.606 2.762 . . . . 1.74 115.162 168.849 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.271 7.2 mt -84.22 -8.36 11.21 Favored 'Isoleucine or valine' 0 C--N 1.367 1.366 0 N-CA-C 115.009 1.485 . . . . 1.3200000000000001 115.009 -176.448 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 57.1 t90 -75.45 -43.42 49.64 Favored 'General case' 0 C--N 1.378 1.827 0 C-N-CA 124.747 1.219 . . . . 0.34000000000000002 110.864 167.775 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -82.24 -12.89 57.8 Favored 'General case' 0 C--N 1.368 1.389 0 C-N-CA 126.593 1.957 . . . . 0.46000000000000002 113.038 -179.261 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -77.67 -42.84 33.22 Favored 'General case' 0 C--N 1.363 1.185 0 C-N-CA 127.532 2.333 . . . . 1.3400000000000001 111.911 172.425 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 69.6 m-20 -87.69 -20.1 26.74 Favored 'General case' 0 C--N 1.366 1.298 0 C-N-CA 126.458 1.903 . . . . 0.85999999999999999 113.027 -175.868 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 5.9 m80 -87.14 -15.24 38.98 Favored 'General case' 0 C--N 1.365 1.254 0 C-N-CA 125.917 1.687 . . . . 2.3900000000000001 114.338 178.895 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.546 ' HE ' HH12 ' A' ' 32' ' ' ARG . 8.5 ptm180 -89.25 51.79 2.22 Favored 'General case' 0 C--N 1.366 1.312 0 C-N-CA 126.049 1.74 . . . . 3.9100000000000001 111.328 156.114 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER 169.47 110.02 0.01 OUTLIER 'General case' 0 CA--C 1.495 -1.163 0 N-CA-C 101.758 -3.423 . . . . 6.3799999999999999 101.758 54.615 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -127.17 82.06 2.06 Favored 'General case' 0 N--CA 1.443 -0.781 0 N-CA-C 105.752 -1.944 . . . . 5.9000000000000004 105.752 102.087 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 14.6 m -45.84 -29.92 1.52 Allowed 'General case' 0 C--N 1.365 1.281 1 C-N-CA 135.589 5.556 . . . . 4.0999999999999996 119.089 -173.905 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.19 -123.33 0.07 Allowed 'General case' 0 C--N 1.371 1.511 0 C-N-CA 126.748 2.019 . . . . 8.1699999999999999 110.108 170.085 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 86.5 mmt-85 -145.03 81.05 1.63 Allowed 'General case' 0 C--N 1.355 0.841 0 N-CA-C 102.677 -3.083 . . . . 11.25 102.677 178.738 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . 2.336 . . -73.72 -145.77 0.02 OUTLIER 'General case' 0 C--N 1.363 1.157 0 C-N-CA 128.609 2.764 . . . . 9.0999999999999996 117.442 -166.563 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -102.16 139.56 37.61 Favored 'General case' 0 C--N 1.371 1.542 0 C-N-CA 131.018 3.727 . . . . 9.6899999999999995 110.436 9.525 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 38.8 t30 -160.5 85.7 0.72 Allowed 'General case' 0 N--CA 1.436 -1.141 0 N-CA-C 104.533 -2.395 . . . . 12.300000000000001 104.533 -178.318 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . 2.22 0.0 OUTLIER -49.61 -114.53 0.0 OUTLIER 'General case' 0 C--N 1.356 0.878 0 C-N-CA 129.93 3.292 . . . . 12.73 117.173 153.712 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . 2.264 97.1 mttt -50.06 -118.32 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.62 0 C-N-CA 130.081 3.352 . . . . 16.57 117.341 175.257 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -132.32 42.32 1.4 Allowed Glycine 0 C--N 1.358 1.799 0 N-CA-C 110.428 -1.069 . . . . 15.41 110.428 -176.589 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 50.5 m-85 -88.56 -20.95 24.37 Favored 'General case' 0 C--N 1.366 1.323 0 N-CA-C 117.889 2.552 . . . . 14.050000000000001 117.889 -166.353 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -108.26 64.9 0.62 Allowed 'General case' 0 N--CA 1.443 -0.789 0 C-N-CA 128.169 2.588 . . . . 14.869999999999999 107.813 176.887 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -172.23 144.25 7.89 Favored Glycine 0 C--N 1.355 1.619 0 N-CA-C 106.347 -2.701 . . . . 15.93 106.347 -178.735 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 53.9 t-80 -96.63 -42.61 0.26 Allowed Pre-proline 0 C--N 1.362 1.135 0 CA-C-O 116.085 -1.912 . . . . 18.370000000000001 112.814 -177.077 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo . . . . . 0 C--O 1.261 1.63 0 CA-C-N 125.102 2.858 . . . . 17.68 111.117 175.139 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . 0.275 7.5 m . . . . . 0 N--CA 1.467 0.421 0 N-CA-C 111.418 0.155 . . . . 1.3100000000000001 111.418 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.7 pttp -75.89 -10.37 59.37 Favored 'General case' 0 C--N 1.369 1.441 0 N-CA-C 117.758 2.503 . . . . 3.73 117.758 -157.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -83.24 -41.05 18.81 Favored 'General case' 0 C--N 1.362 1.15 0 C-N-CA 125.62 1.568 . . . . 1.1299999999999999 111.999 167.626 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 57.7 mm-40 -75.77 -44.31 42.15 Favored 'General case' 0 C--N 1.368 1.39 0 C-N-CA 128.422 2.689 . . . . 0.85999999999999999 111.445 -173.036 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 61.6 p -73.03 -26.59 61.36 Favored 'General case' 0 C--N 1.369 1.417 0 C-N-CA 127.637 2.375 . . . . 1.1200000000000001 112.509 179.01 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 53.0 t80 -67.58 -52.68 35.66 Favored 'General case' 0 C--N 1.371 1.507 0 C-N-CA 127.825 2.45 . . . . 1.22 112.316 176.536 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -71.9 -35.19 69.63 Favored 'General case' 0 C--N 1.363 1.163 0 N-CA-C 115.469 1.655 . . . . 1.0600000000000001 115.469 -177.553 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 93.9 mt -72.18 -40.96 67.55 Favored 'General case' 0 C--N 1.359 0.998 0 C-N-CA 126.035 1.734 . . . . 1.05 114.962 178.726 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -71.4 -30.98 66.73 Favored 'General case' 0 C--N 1.361 1.088 0 C-N-CA 125.598 1.559 . . . . 1.6599999999999999 115.135 172.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.1 ptm180 -78.64 -26.94 45.26 Favored 'General case' 0 C--N 1.371 1.511 0 N-CA-C 114.735 1.384 . . . . 2.54 114.735 -178.642 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 39.8 mmm-85 -79.02 -27.09 43.21 Favored 'General case' 0 C--N 1.368 1.399 0 C-N-CA 124.038 0.935 . . . . 1.8899999999999999 112.939 163.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -73.86 -17.81 61.01 Favored 'General case' 0 C--N 1.369 1.45 0 CA-C-N 120.535 1.516 . . . . 0.82999999999999996 114.301 177.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 39.0 mmt-85 -83.8 -46.18 12.49 Favored 'General case' 0 C--N 1.365 1.28 0 C-N-CA 125.961 1.704 . . . . 4.5700000000000003 112.676 174.559 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 68.2 tp60 -90.94 -23.99 20.29 Favored 'General case' 0 C--N 1.367 1.362 0 C-N-CA 127.474 2.309 . . . . 2.5299999999999998 113.102 -174.523 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -126.47 170.74 11.67 Favored 'General case' 0 C--N 1.365 1.272 0 C-N-CA 125.07 1.348 . . . . 2.04 108.162 -177.066 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 62.8 mtt85 -107.12 -41.48 5.14 Favored 'General case' 0 C--N 1.361 1.07 0 C-N-CA 126.836 2.054 . . . . 4.25 110.381 165.084 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 33.6 p90 -144.52 152.37 40.49 Favored 'General case' 0 C--N 1.36 1.025 0 C-N-CA 127.157 2.183 . . . . 5.9000000000000004 106.337 -161.217 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -150.36 120.93 7.45 Favored 'General case' 0 N--CA 1.441 -0.875 0 N-CA-C 104.212 -2.514 . . . . 1.23 104.212 -174.335 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.6 p -84.35 162.93 19.86 Favored 'General case' 0 C--N 1.372 1.571 0 C-N-CA 127.886 2.474 . . . . 2.04 111.234 -173.065 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.26 -36.98 31.08 Favored Pre-proline 0 C--N 1.367 1.353 0 N-CA-C 120.466 3.506 . . . . 1.23 120.466 -170.306 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -67.51 -29.19 37.58 Favored 'Trans proline' 0 C--N 1.36 1.142 0 C-N-CA 124.082 3.188 . . . . 1.03 114.669 175.219 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.265 0.9 OUTLIER -104.45 -17.1 14.88 Favored 'General case' 0 C--N 1.361 1.091 0 C-N-CA 126.681 1.992 . . . . 1.7 114.974 178.611 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 56.0 ttp85 -82.96 -37.43 24.1 Favored 'General case' 0 C--N 1.376 1.727 0 C-N-CA 126.26 1.824 . . . . 3.04 112.164 178.097 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -77.96 -20.86 51.92 Favored 'General case' 0 C--N 1.367 1.34 0 C-N-CA 126.943 2.097 . . . . 1.74 112.351 177.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 34.9 t-80 -81.2 -28.89 34.73 Favored 'General case' 0 C--N 1.364 1.233 0 C-N-CA 128.374 2.669 . . . . 2.0099999999999998 111.486 175.469 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -75.23 -30.59 60.59 Favored 'General case' 0 C--N 1.369 1.449 0 C-N-CA 128.444 2.698 . . . . 1.1899999999999999 112.354 172.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.63 -27.2 34.26 Favored 'General case' 0 C--N 1.364 1.239 0 C-N-CA 127.67 2.388 . . . . 1.0700000000000001 112.939 177.354 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 69.0 m -85.06 -26.15 27.16 Favored 'General case' 0 C--N 1.362 1.125 0 C-N-CA 126.215 1.806 . . . . 1.03 113.075 173.385 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 48.3 tp -75.33 -37.67 60.61 Favored 'General case' 0 C--N 1.362 1.148 0 C-N-CA 127.327 2.251 . . . . 2.3500000000000001 112.434 176.127 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.0 pt -103.86 -21.49 5.25 Favored 'Isoleucine or valine' 0 C--N 1.366 1.311 0 C-N-CA 123.861 0.864 . . . . 1.0700000000000001 112.27 -173.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 8.5 tpp180 83.69 68.72 0.02 OUTLIER 'General case' 0 C--N 1.371 1.505 0 C-N-CA 129.082 2.953 . . . . 3.6099999999999999 113.812 175.225 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 77.2 mt -139.83 -172.52 3.41 Favored 'General case' 0 C--N 1.36 1.044 0 N-CA-C 107.844 -1.169 . . . . 1.1200000000000001 107.844 171.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 66.8 p -94.6 149.54 36.66 Favored Pre-proline 0 C--N 1.371 1.515 0 C-N-CA 127.59 2.356 . . . . 1.3600000000000001 108.712 179.599 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_exo -58.16 -24.63 67.69 Favored 'Trans proline' 0 C--N 1.362 1.252 1 C-N-CA 126.45 4.767 . . . . 1.0 117.123 171.099 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.3 t -89.06 -28.44 20.13 Favored 'General case' 0 C--N 1.365 1.255 0 C-N-CA 125.024 1.33 . . . . 1.1299999999999999 111.546 -174.526 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -82.55 -31.62 29.02 Favored 'General case' 0 C--N 1.371 1.533 0 C-N-CA 124.274 1.03 . . . . 1.04 112.438 178.191 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 10.7 p -69.22 -43.12 81.65 Favored 'Isoleucine or valine' 0 C--N 1.378 1.834 0 C-N-CA 125.128 1.371 . . . . 1.0700000000000001 113.295 171.396 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.58 -46.32 89.27 Favored 'General case' 0 C--N 1.374 1.673 0 C-N-CA 126.848 2.059 . . . . 1.54 115.078 175.668 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.287 8.2 mt -84.41 -6.46 10.31 Favored 'Isoleucine or valine' 0 C--N 1.369 1.421 0 N-CA-C 114.407 1.262 . . . . 1.3200000000000001 114.407 176.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 31.9 t90 -71.77 -43.09 66.33 Favored 'General case' 0 C--N 1.381 1.937 0 CA-C-N 120.335 1.425 . . . . 0.28000000000000003 111.421 165.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -79.32 -16.07 56.92 Favored 'General case' 0 C--N 1.372 1.553 0 C-N-CA 125.276 1.431 . . . . 0.46000000000000002 113.648 178.362 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -76.27 -38.81 55.7 Favored 'General case' 0 C--N 1.363 1.161 0 C-N-CA 127.215 2.206 . . . . 1.3400000000000001 112.865 170.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 55.0 m-20 -87.65 -19.79 27.23 Favored 'General case' 0 C--N 1.365 1.28 0 C-N-CA 126.262 1.825 . . . . 0.56000000000000005 113.001 -173.646 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 . . . . . 0 C--N 1.365 1.265 0 C-N-CA 126.554 1.942 . . . . 2.3900000000000001 114.672 178.283 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.7 m . . . . . 0 C--O 1.232 0.184 0 N-CA-C 107.633 -1.247 . . . . 1.3100000000000001 107.633 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 65.2 mttt -85.08 4.89 31.96 Favored 'General case' 0 C--N 1.367 1.343 0 C-N-CA 127.278 2.231 . . . . 3.73 113.875 -172.363 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -83.92 -37.51 22.25 Favored 'General case' 0 C--N 1.363 1.192 0 C-N-CA 126.689 1.996 . . . . 1.1299999999999999 112.526 165.024 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 45.7 mm-40 -77.21 -51.9 10.15 Favored 'General case' 0 C--N 1.368 1.371 0 C-N-CA 129.033 2.933 . . . . 0.85999999999999999 111.792 -170.732 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 72.5 p -65.11 -38.32 90.32 Favored 'General case' 0 C--N 1.371 1.528 0 C-N-CA 127.506 2.322 . . . . 1.1200000000000001 113.093 178.081 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 48.9 t80 -58.73 -57.3 13.63 Favored 'General case' 0 C--N 1.37 1.488 0 C-N-CA 129.013 2.925 . . . . 1.22 112.815 177.429 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -67.46 -36.74 81.76 Favored 'General case' 0 C--N 1.367 1.348 0 C-N-CA 126.598 1.959 . . . . 1.0600000000000001 115.169 -175.715 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 98.5 mt -66.93 -37.46 84.36 Favored 'General case' 0 C--N 1.364 1.239 0 C-N-CA 126.369 1.868 . . . . 1.05 115.664 176.355 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -76.51 -28.58 56.45 Favored 'General case' 0 C--N 1.361 1.097 0 C-N-CA 126.488 1.915 . . . . 1.6599999999999999 114.516 176.846 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 11.0 mtm180 -69.6 -45.05 69.48 Favored 'General case' 0 C--N 1.377 1.77 0 C-N-CA 124.638 1.175 . . . . 2.54 112.442 176.495 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.296 43.4 mmm-85 -70.39 -30.16 66.99 Favored 'General case' 0 C--N 1.38 1.926 0 CA-C-N 115.448 -0.796 . . . . 1.8899999999999999 112.063 -179.35 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 34.8 t80 -68.68 -35.53 77.34 Favored 'General case' 0 C--N 1.375 1.674 0 C-N-CA 127.879 2.472 . . . . 0.82999999999999996 113.82 -178.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 11.4 mmm-85 -76.09 -23.05 54.94 Favored 'General case' 0 C--N 1.365 1.279 0 C-N-CA 125.387 1.475 . . . . 4.5700000000000003 114.961 177.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -93.62 -27.18 16.73 Favored 'General case' 0 N--CA 1.434 -1.268 0 C-N-CA 128.383 2.673 . . . . 2.5299999999999998 112.443 179.072 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -171.25 152.7 3.44 Favored 'General case' 0 C--N 1.367 1.349 0 N-CA-C 106.61 -1.626 . . . . 2.04 106.61 -168.375 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 90.3 mtt-85 -105.06 -34.07 8.09 Favored 'General case' 0 C--N 1.36 1.046 0 C-N-CA 124.6 1.16 . . . . 4.25 110.206 -179.243 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -113.99 137.1 52.15 Favored 'General case' 0 C--N 1.358 0.936 0 C-N-CA 126.189 1.796 . . . . 5.9000000000000004 108.443 178.592 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -146.98 120.98 9.37 Favored 'General case' 0 CA--C 1.5 -0.944 0 N-CA-C 102.656 -3.09 . . . . 1.23 102.656 -175.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 28.4 p -92.4 166.4 12.58 Favored 'General case' 0 C--N 1.365 1.262 0 C-N-CA 127.278 2.231 . . . . 2.04 109.647 -170.455 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -46.78 -35.6 5.5 Favored Pre-proline 0 C--N 1.366 1.309 0 N-CA-C 120.761 3.615 . . . . 1.23 120.761 -171.035 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_exo -67.25 -31.46 35.57 Favored 'Trans proline' 0 C--N 1.36 1.154 0 C-N-CA 124.337 3.358 . . . . 1.03 115.186 173.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -103.49 -20.04 14.18 Favored 'General case' 0 C--N 1.362 1.137 0 C-N-CA 126.395 1.878 . . . . 1.7 114.798 177.027 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 43.0 ttp180 -81.0 -42.54 20.99 Favored 'General case' 0 C--N 1.373 1.59 0 C-N-CA 126.452 1.901 . . . . 3.04 111.711 -179.014 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -80.23 -21.21 43.09 Favored 'General case' 0 C--N 1.369 1.42 0 C-N-CA 126.78 2.032 . . . . 1.74 112.065 -178.556 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 44.7 t-80 -80.85 -28.01 36.24 Favored 'General case' 0 C--N 1.367 1.367 0 C-N-CA 127.935 2.494 . . . . 2.0099999999999998 111.636 175.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -74.68 -30.44 61.58 Favored 'General case' 0 C--N 1.37 1.457 0 C-N-CA 128.258 2.623 . . . . 1.1899999999999999 112.321 172.558 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -80.55 -27.52 37.53 Favored 'General case' 0 C--N 1.365 1.267 0 C-N-CA 127.871 2.468 . . . . 1.0700000000000001 113.064 176.116 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 70.7 m -85.14 -26.01 27.11 Favored 'General case' 0 C--N 1.361 1.071 0 C-N-CA 126.235 1.814 . . . . 1.03 113.208 174.166 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -75.37 -39.33 59.35 Favored 'General case' 0 C--N 1.362 1.136 0 C-N-CA 127.699 2.4 . . . . 2.3500000000000001 111.98 176.486 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.6 pt -103.06 -20.11 5.83 Favored 'Isoleucine or valine' 0 C--N 1.365 1.268 0 C-N-CA 123.666 0.787 . . . . 1.0700000000000001 112.339 -173.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 8.2 tpp180 84.66 68.5 0.01 OUTLIER 'General case' 0 C--N 1.371 1.542 0 C-N-CA 129.136 2.975 . . . . 3.6099999999999999 113.82 174.203 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 84.1 mt -138.16 -171.47 3.04 Favored 'General case' 0 C--N 1.36 1.028 0 N-CA-C 108.56 -0.904 . . . . 1.1200000000000001 108.56 173.017 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 69.5 p -95.57 146.5 31.42 Favored Pre-proline 0 C--N 1.369 1.452 0 C-N-CA 127.58 2.352 . . . . 1.3600000000000001 108.72 177.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_exo -59.01 -21.16 57.22 Favored 'Trans proline' 0 C--N 1.364 1.377 1 C-N-CA 126.476 4.784 . . . . 1.0 117.158 171.43 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.8 t -86.55 -31.02 21.47 Favored 'General case' 0 C--N 1.365 1.276 0 C-N-CA 126.407 1.883 . . . . 1.1299999999999999 111.094 -176.564 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -84.47 -31.13 24.71 Favored 'General case' 0 C--N 1.369 1.436 0 CA-C-N 119.63 1.104 . . . . 1.04 112.906 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.6 p -68.62 -38.41 79.0 Favored 'Isoleucine or valine' 0 C--N 1.379 1.867 0 C-N-CA 124.653 1.181 . . . . 1.0700000000000001 112.181 169.401 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.3 mmmt -55.92 -46.72 78.37 Favored 'General case' 0 C--N 1.371 1.525 0 N-CA-C 116.5 2.037 . . . . 1.54 116.5 170.376 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.252 3.2 mt -85.69 -9.05 11.26 Favored 'Isoleucine or valine' 0 C--N 1.371 1.507 0 N-CA-C 115.264 1.579 . . . . 1.3200000000000001 115.264 178.572 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 30.1 t90 -74.85 -41.28 60.15 Favored 'General case' 0 C--N 1.378 1.843 0 CA-C-N 120.134 1.333 . . . . 0.28000000000000003 110.691 169.547 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -85.23 -17.24 37.64 Favored 'General case' 0 C--N 1.366 1.3 0 C-N-CA 126.272 1.829 . . . . 0.46000000000000002 114.316 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -85.08 -25.83 27.34 Favored 'General case' 0 C--N 1.364 1.209 0 C-N-CA 125.388 1.475 . . . . 1.3400000000000001 112.102 177.477 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 48.4 m-20 -87.24 -41.3 13.81 Favored 'General case' 0 C--N 1.368 1.411 0 C-N-CA 125.647 1.579 . . . . 0.56000000000000005 113.674 177.122 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 2.0 m80 . . . . . 0 C--N 1.363 1.188 0 N-CA-C 118.116 2.635 . . . . 2.3900000000000001 118.116 -170.814 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 13.8 m . . . . . 0 CA--C 1.519 -0.241 0 N-CA-C 109.653 -0.499 . . . . 1.3100000000000001 109.653 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.8 pttm -75.57 -6.7 51.61 Favored 'General case' 0 C--N 1.369 1.451 0 N-CA-C 117.218 2.303 . . . . 3.73 117.218 -163.021 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.6 -44.05 13.87 Favored 'General case' 0 C--N 1.362 1.145 0 C-N-CA 125.99 1.716 . . . . 1.1299999999999999 111.868 167.685 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 46.5 mm-40 -78.56 -38.21 40.86 Favored 'General case' 0 C--N 1.368 1.392 0 C-N-CA 127.723 2.409 . . . . 0.85999999999999999 111.508 -171.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 70.8 p -74.93 -29.62 61.0 Favored 'General case' 0 C--N 1.371 1.524 0 C-N-CA 127.185 2.194 . . . . 1.1200000000000001 112.199 178.703 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 52.6 t80 -65.88 -51.12 61.45 Favored 'General case' 0 C--N 1.37 1.483 0 C-N-CA 128.265 2.626 . . . . 1.22 112.251 176.707 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -73.24 -34.93 66.13 Favored 'General case' 0 C--N 1.36 1.061 0 N-CA-C 115.408 1.633 . . . . 1.0600000000000001 115.408 -177.464 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 93.8 mt -70.5 -41.64 72.37 Favored 'General case' 0 C--N 1.363 1.195 0 C-N-CA 126.028 1.731 . . . . 1.05 114.923 177.432 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -71.19 -31.02 67.13 Favored 'General case' 0 C--N 1.362 1.148 0 C-N-CA 126.032 1.733 . . . . 1.6599999999999999 115.259 173.603 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.1 ptm180 -80.07 -24.7 40.45 Favored 'General case' 0 C--N 1.37 1.488 0 N-CA-C 115.128 1.529 . . . . 2.54 115.128 -179.156 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.275 36.3 mmm-85 -75.6 -31.71 60.03 Favored 'General case' 0 C--N 1.371 1.524 0 C-N-CA 123.6 0.76 . . . . 1.8899999999999999 112.07 163.706 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -68.84 -35.14 76.59 Favored 'General case' 0 C--N 1.375 1.682 0 C-N-CA 127.04 2.136 . . . . 0.82999999999999996 113.736 -173.166 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 31.8 mmt-85 -83.68 -14.94 50.59 Favored 'General case' 0 C--N 1.363 1.192 0 N-CA-C 113.854 1.057 . . . . 4.5700000000000003 113.854 179.143 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 64.2 tp60 -92.61 -27.2 17.48 Favored 'General case' 0 C--N 1.367 1.342 0 C-N-CA 127.686 2.394 . . . . 2.5299999999999998 112.292 174.36 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -171.1 151.65 3.28 Favored 'General case' 0 C--N 1.367 1.328 0 N-CA-C 105.425 -2.065 . . . . 2.04 105.425 -170.113 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.7 mmt85 -105.09 -33.02 8.43 Favored 'General case' 0 C--N 1.359 0.983 0 O-C-N 120.903 -1.123 . . . . 4.25 108.938 -177.261 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 37.7 p90 -114.34 141.28 47.82 Favored 'General case' 0 C--N 1.356 0.869 0 C-N-CA 126.765 2.026 . . . . 5.9000000000000004 107.912 179.55 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -151.25 121.64 7.33 Favored 'General case' 0 CA--C 1.499 -1.017 0 N-CA-C 102.735 -3.061 . . . . 1.23 102.735 -173.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 28.3 p -89.43 168.37 12.26 Favored 'General case' 0 C--N 1.366 1.304 0 C-N-CA 127.393 2.277 . . . . 2.04 109.771 -170.832 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.28 -35.54 15.58 Favored Pre-proline 0 C--N 1.366 1.316 0 N-CA-C 120.255 3.428 . . . . 1.23 120.255 -172.243 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -67.82 -29.3 35.4 Favored 'Trans proline' 0 C--N 1.36 1.157 0 C-N-CA 124.238 3.292 . . . . 1.03 115.171 173.739 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -102.03 -22.09 14.34 Favored 'General case' 0 C--N 1.362 1.137 0 C-N-CA 126.771 2.028 . . . . 1.7 114.587 177.579 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 36.0 ttm180 -79.19 -42.44 26.06 Favored 'General case' 0 C--N 1.373 1.603 0 C-N-CA 127.139 2.176 . . . . 3.04 111.446 -178.844 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -80.32 -21.34 42.65 Favored 'General case' 0 C--N 1.368 1.403 0 C-N-CA 127.012 2.125 . . . . 1.74 112.188 -178.025 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 47.5 t-80 -81.05 -27.8 35.61 Favored 'General case' 0 C--N 1.366 1.303 0 C-N-CA 128.076 2.55 . . . . 2.0099999999999998 111.536 176.819 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -74.55 -33.14 62.66 Favored 'General case' 0 C--N 1.367 1.358 0 C-N-CA 128.306 2.642 . . . . 1.1899999999999999 112.408 172.566 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -80.01 -26.78 39.7 Favored 'General case' 0 C--N 1.365 1.268 0 C-N-CA 128.052 2.541 . . . . 1.0700000000000001 113.226 178.014 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 69.5 m -85.13 -26.91 26.57 Favored 'General case' 0 C--N 1.361 1.067 0 C-N-CA 126.011 1.724 . . . . 1.03 112.956 174.011 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 48.8 tp -74.38 -38.4 63.16 Favored 'General case' 0 C--N 1.363 1.169 0 C-N-CA 127.6 2.36 . . . . 2.3500000000000001 112.702 176.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.0 pt -105.13 -18.11 7.11 Favored 'Isoleucine or valine' 0 C--N 1.366 1.288 0 C-N-CA 123.886 0.874 . . . . 1.0700000000000001 112.445 -174.234 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 24.0 tpt180 85.0 67.87 0.01 OUTLIER 'General case' 0 C--N 1.37 1.482 0 C-N-CA 129.008 2.923 . . . . 3.6099999999999999 114.167 173.182 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 84.1 mt -137.86 -172.31 3.22 Favored 'General case' 0 C--N 1.36 1.033 0 C-N-CA 123.817 0.847 . . . . 1.1200000000000001 108.82 173.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.436 HG22 ' H ' ' A' ' 51' ' ' THR . 71.4 p -94.72 146.87 32.2 Favored Pre-proline 0 C--N 1.368 1.403 0 C-N-CA 127.164 2.186 . . . . 1.3600000000000001 109.219 176.581 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_exo -57.92 -23.54 60.17 Favored 'Trans proline' 0 C--N 1.364 1.358 1 C-N-CA 126.829 5.019 . . . . 1.0 117.332 170.431 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.436 ' H ' HG22 ' A' ' 49' ' ' THR . 14.2 t -85.63 -33.14 21.7 Favored 'General case' 0 C--N 1.364 1.235 0 C-N-CA 126.58 1.952 . . . . 1.1299999999999999 110.837 -175.869 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -81.81 -31.33 31.79 Favored 'General case' 0 C--N 1.369 1.421 0 CA-C-N 119.566 1.075 . . . . 1.04 112.781 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.2 p -69.25 -38.68 78.08 Favored 'Isoleucine or valine' 0 C--N 1.381 1.941 0 C-N-CA 124.97 1.308 . . . . 1.0700000000000001 112.192 171.608 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.0 tppt? -57.32 -44.08 83.9 Favored 'General case' 0 C--N 1.37 1.47 0 C-N-CA 127.993 2.517 . . . . 1.54 114.567 171.39 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.279 1.9 mt -86.46 -8.55 11.1 Favored 'Isoleucine or valine' 0 C--N 1.369 1.437 0 N-CA-C 115.732 1.753 . . . . 1.3200000000000001 115.732 177.68 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 38.4 t90 -74.5 -41.68 60.27 Favored 'General case' 0 C--N 1.378 1.823 0 CA-C-N 120.0 1.273 . . . . 0.28000000000000003 110.928 168.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -85.19 -10.0 57.15 Favored 'General case' 0 C--N 1.365 1.276 0 C-N-CA 126.731 2.012 . . . . 0.46000000000000002 113.69 178.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -77.66 -41.38 38.47 Favored 'General case' 0 C--N 1.363 1.162 0 C-N-CA 125.899 1.679 . . . . 1.3400000000000001 112.194 171.075 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 -91.21 -22.12 20.78 Favored 'General case' 0 C--N 1.366 1.29 0 C-N-CA 125.48 1.512 . . . . 0.56000000000000005 114.106 -171.482 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 6.9 m80 . . . . . 0 C--N 1.364 1.226 0 N-CA-C 115.557 1.688 . . . . 2.3900000000000001 115.557 -177.644 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 26.6 m . . . . . 0 CA--C 1.518 -0.258 0 N-CA-C 108.78 -0.822 . . . . 1.3100000000000001 108.78 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 69.4 mttt -85.02 12.25 7.99 Favored 'General case' 0 C--N 1.372 1.563 0 C-N-CA 126.869 2.068 . . . . 3.73 114.445 -172.445 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.41 -48.81 8.65 Favored 'General case' 0 C--N 1.361 1.099 0 C-N-CA 126.774 2.029 . . . . 1.1299999999999999 111.664 157.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 53.4 mm-40 -73.45 -45.66 52.98 Favored 'General case' 0 C--N 1.37 1.475 0 C-N-CA 128.802 2.841 . . . . 0.85999999999999999 112.903 -173.256 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 58.5 p -73.31 -28.14 61.92 Favored 'General case' 0 C--N 1.367 1.359 0 C-N-CA 127.489 2.315 . . . . 1.1200000000000001 112.13 179.334 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 34.1 t80 -66.33 -50.21 64.38 Favored 'General case' 0 C--N 1.37 1.473 0 C-N-CA 127.563 2.345 . . . . 1.22 112.522 176.192 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -74.2 -34.19 63.64 Favored 'General case' 0 C--N 1.363 1.178 0 N-CA-C 115.469 1.655 . . . . 1.0600000000000001 115.469 -177.509 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 92.4 mt -70.17 -43.56 70.59 Favored 'General case' 0 C--N 1.364 1.209 0 C-N-CA 126.034 1.733 . . . . 1.05 114.726 177.434 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -69.31 -33.98 73.98 Favored 'General case' 0 C--N 1.363 1.179 0 C-N-CA 126.506 1.922 . . . . 1.6599999999999999 114.421 174.651 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.5 ptm180 -80.31 -27.38 38.46 Favored 'General case' 0 C--N 1.373 1.606 0 N-CA-C 115.837 1.791 . . . . 2.54 115.837 -177.277 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.284 36.6 mmm-85 -74.67 -31.51 61.94 Favored 'General case' 0 C--N 1.371 1.53 0 C-N-CA 123.929 0.892 . . . . 1.8899999999999999 111.747 167.615 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -68.12 -39.98 82.62 Favored 'General case' 0 C--N 1.378 1.808 0 C-N-CA 126.865 2.066 . . . . 0.82999999999999996 113.671 -175.421 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.8 mmm-85 -71.9 -20.86 61.72 Favored 'General case' 0 C--N 1.366 1.306 0 C-N-CA 126.079 1.752 . . . . 4.5700000000000003 115.26 178.024 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 85.4 mm-40 -98.07 -33.43 11.17 Favored 'General case' 0 C--N 1.359 1.022 0 C-N-CA 126.018 1.727 . . . . 2.5299999999999998 112.917 177.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -162.53 150.39 14.07 Favored 'General case' 0 C--N 1.368 1.396 0 CA-C-N 120.345 1.43 . . . . 2.04 108.636 -172.438 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 72.2 mmt-85 -105.36 -34.42 7.85 Favored 'General case' 0 C--N 1.36 1.035 0 C-N-CA 126.187 1.795 . . . . 4.25 112.356 -175.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -86.3 -16.91 36.04 Favored 'General case' 0 C--N 1.359 1.02 0 C-N-CA 129.18 2.992 . . . . 5.9000000000000004 116.005 -150.37 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . 0.359 0.0 OUTLIER -33.67 109.1 0.07 Allowed 'General case' 0 N--CA 1.496 1.849 1 C-N-CA 133.537 4.735 . . . . 1.23 115.614 -165.839 . . . . . . . . 4 3 . 1 . 004 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 30.7 p -100.32 170.85 8.15 Favored 'General case' 0 C--N 1.361 1.108 0 C-N-CA 128.515 2.726 . . . . 2.04 108.426 -169.036 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -42.6 -36.9 1.62 Allowed Pre-proline 0 C--N 1.367 1.343 0 N-CA-C 121.496 3.887 . . . . 1.23 121.496 -170.604 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_exo -66.9 -31.93 37.06 Favored 'Trans proline' 0 C--N 1.359 1.082 0 C-N-CA 124.256 3.304 . . . . 1.03 115.122 174.061 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -103.72 -22.82 13.5 Favored 'General case' 0 C--N 1.36 1.056 0 C-N-CA 126.937 2.095 . . . . 1.7 114.706 178.174 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 44.4 ttp180 -81.88 -38.0 26.02 Favored 'General case' 0 C--N 1.373 1.609 0 C-N-CA 126.681 1.992 . . . . 3.04 111.927 -178.555 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -81.59 -20.76 39.14 Favored 'General case' 0 C--N 1.37 1.466 0 C-N-CA 126.087 1.755 . . . . 1.74 112.172 179.618 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 48.0 t-80 -79.24 -28.28 42.45 Favored 'General case' 0 C--N 1.367 1.351 0 C-N-CA 128.213 2.605 . . . . 2.0099999999999998 111.552 174.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -72.57 -36.13 68.11 Favored 'General case' 0 C--N 1.368 1.401 0 C-N-CA 128.719 2.807 . . . . 1.1899999999999999 112.313 173.3 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.59 -28.88 41.05 Favored 'General case' 0 C--N 1.363 1.189 0 C-N-CA 128.226 2.611 . . . . 1.0700000000000001 113.504 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 67.7 m -85.19 -26.71 26.61 Favored 'General case' 0 C--N 1.362 1.125 0 C-N-CA 126.179 1.791 . . . . 1.03 113.137 176.081 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -74.99 -39.13 61.41 Favored 'General case' 0 C--N 1.363 1.163 0 C-N-CA 127.357 2.263 . . . . 2.3500000000000001 112.097 175.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.9 pt -101.06 -19.61 5.87 Favored 'Isoleucine or valine' 0 C--N 1.366 1.29 0 C-N-CA 123.832 0.853 . . . . 1.0700000000000001 113.236 -174.212 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 11.0 tpp180 83.89 62.95 0.01 OUTLIER 'General case' 0 C--N 1.369 1.455 0 C-N-CA 128.945 2.898 . . . . 3.6099999999999999 113.775 174.095 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 70.5 mt -137.32 -173.81 3.57 Favored 'General case' 0 C--N 1.36 1.057 0 N-CA-C 107.833 -1.173 . . . . 1.1200000000000001 107.833 173.711 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 57.8 p -93.2 145.98 31.06 Favored Pre-proline 0 C--N 1.368 1.381 0 C-N-CA 127.327 2.251 . . . . 1.3600000000000001 109.176 -177.734 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_exo -58.39 -22.66 59.58 Favored 'Trans proline' 0 C--N 1.363 1.328 1 C-N-CA 126.626 4.884 . . . . 1.0 117.237 170.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.9 t -87.9 -29.3 20.97 Favored 'General case' 0 C--N 1.364 1.239 0 C-N-CA 126.34 1.856 . . . . 1.1299999999999999 111.165 -176.047 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -83.29 -34.09 25.81 Favored 'General case' 0 C--N 1.37 1.486 0 CA-C-N 119.488 1.04 . . . . 1.04 112.516 179.472 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.5 p -67.48 -39.8 83.23 Favored 'Isoleucine or valine' 0 C--N 1.379 1.859 0 C-N-CA 125.302 1.441 . . . . 1.0700000000000001 112.584 169.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.07 -49.14 66.99 Favored 'General case' 0 C--N 1.371 1.534 0 C-N-CA 127.167 2.187 . . . . 1.54 115.747 170.369 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.277 4.8 mt -85.68 -7.41 10.91 Favored 'Isoleucine or valine' 0 C--N 1.367 1.343 0 N-CA-C 115.217 1.562 . . . . 1.3200000000000001 115.217 179.125 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 34.1 t90 -74.66 -42.17 58.98 Favored 'General case' 0 C--N 1.379 1.857 0 C-N-CA 125.018 1.327 . . . . 0.28000000000000003 111.412 169.384 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -84.28 -14.89 48.58 Favored 'General case' 0 C--N 1.367 1.363 0 C-N-CA 126.122 1.769 . . . . 0.46000000000000002 113.319 179.44 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -75.59 -40.52 56.45 Favored 'General case' 0 C--N 1.365 1.263 0 C-N-CA 127.418 2.287 . . . . 1.3400000000000001 112.954 174.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 70.3 m-20 -89.76 -26.73 20.46 Favored 'General case' 0 C--N 1.366 1.314 0 C-N-CA 125.872 1.669 . . . . 0.56000000000000005 113.48 -175.202 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 8.5 m80 . . . . . 0 C--N 1.364 1.203 0 N-CA-C 116.959 2.207 . . . . 2.3900000000000001 116.959 -178.269 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 40.0 m . . . . . 0 CA--C 1.514 -0.439 0 N-CA-C 106.294 -1.743 . . . . 1.3100000000000001 106.294 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.1 pttm -73.36 6.44 2.92 Favored 'General case' 0 C--N 1.367 1.345 0 N-CA-C 118.952 2.945 . . . . 3.73 118.952 -157.461 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.25 -51.97 6.23 Favored 'General case' 0 C--N 1.361 1.081 0 C-N-CA 125.865 1.666 . . . . 1.1299999999999999 111.966 159.072 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -84.47 -39.27 19.12 Favored 'General case' 0 C--N 1.364 1.236 0 C-N-CA 128.276 2.63 . . . . 0.85999999999999999 111.258 -165.621 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 71.7 p -70.21 -34.81 73.36 Favored 'General case' 0 C--N 1.376 1.756 0 C-N-CA 127.531 2.333 . . . . 1.1200000000000001 111.377 177.24 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 54.0 t80 -64.2 -51.67 62.61 Favored 'General case' 0 C--N 1.37 1.476 0 C-N-CA 129.461 3.104 . . . . 1.22 112.76 179.053 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -72.81 -34.76 67.07 Favored 'General case' 0 C--N 1.362 1.109 0 N-CA-C 115.19 1.552 . . . . 1.0600000000000001 115.19 -177.432 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 92.2 mt -69.15 -42.32 76.12 Favored 'General case' 0 C--N 1.366 1.309 0 C-N-CA 125.766 1.626 . . . . 1.05 115.072 176.705 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -71.12 -31.7 68.08 Favored 'General case' 0 C--N 1.362 1.128 0 C-N-CA 126.231 1.812 . . . . 1.6599999999999999 115.135 174.165 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.6 ptm180 -79.59 -26.51 41.24 Favored 'General case' 0 C--N 1.369 1.442 0 N-CA-C 115.1 1.519 . . . . 2.54 115.1 -177.421 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.264 40.0 mmm-85 -74.12 -32.01 63.01 Favored 'General case' 0 C--N 1.371 1.536 0 C-N-CA 123.43 0.692 . . . . 1.8899999999999999 112.18 163.393 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -68.37 -27.22 66.05 Favored 'General case' 0 C--N 1.376 1.735 0 C-N-CA 126.589 1.956 . . . . 0.82999999999999996 114.315 -177.513 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 36.9 mmt-85 -79.74 -27.73 40.52 Favored 'General case' 0 C--N 1.365 1.259 0 C-N-CA 125.309 1.444 . . . . 4.5700000000000003 113.487 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 65.5 tp60 -93.49 -27.43 16.68 Favored 'General case' 0 N--CA 1.433 -1.298 0 C-N-CA 127.81 2.444 . . . . 2.5299999999999998 112.541 179.103 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -166.19 152.0 8.78 Favored 'General case' 0 C--N 1.367 1.362 0 N-CA-C 107.732 -1.21 . . . . 2.04 107.732 -167.772 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 24.0 mmt85 -105.07 -35.28 7.68 Favored 'General case' 0 C--N 1.361 1.079 0 C-N-CA 125.556 1.543 . . . . 4.25 110.277 -178.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 -114.35 137.05 52.31 Favored 'General case' 0 C--N 1.358 0.951 0 C-N-CA 126.537 1.935 . . . . 5.9000000000000004 107.69 178.564 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -145.85 120.68 9.93 Favored 'General case' 0 CA--C 1.496 -1.102 0 N-CA-C 101.644 -3.465 . . . . 1.23 101.644 -176.448 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 24.8 p -84.41 164.46 18.88 Favored 'General case' 0 C--N 1.366 1.321 0 C-N-CA 127.18 2.192 . . . . 2.04 110.523 -168.696 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.63 -36.06 25.58 Favored Pre-proline 0 C--N 1.364 1.206 0 N-CA-C 119.969 3.322 . . . . 1.23 119.969 -170.187 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -68.54 -35.85 16.43 Favored 'Trans proline' 0 C--N 1.361 1.214 0 C-N-CA 124.46 3.44 . . . . 1.03 115.004 173.172 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -93.65 -18.32 22.29 Favored 'General case' 0 C--N 1.366 1.29 0 C-N-CA 126.28 1.832 . . . . 1.7 113.946 179.203 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 32.2 ttm180 -80.38 -40.03 27.32 Favored 'General case' 0 C--N 1.371 1.53 0 C-N-CA 127.127 2.171 . . . . 3.04 110.664 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.84 -17.23 48.13 Favored 'General case' 0 C--N 1.371 1.542 0 C-N-CA 126.634 1.973 . . . . 1.74 112.148 -179.313 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 42.4 t-80 -81.16 -28.99 34.8 Favored 'General case' 0 C--N 1.364 1.208 0 C-N-CA 128.294 2.638 . . . . 2.0099999999999998 111.611 174.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -73.27 -33.89 65.51 Favored 'General case' 0 C--N 1.368 1.404 0 C-N-CA 128.137 2.575 . . . . 1.1899999999999999 112.321 172.186 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.47 -24.31 36.86 Favored 'General case' 0 C--N 1.363 1.176 0 C-N-CA 127.764 2.426 . . . . 1.0700000000000001 113.356 177.425 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.6 t -85.2 -27.69 25.94 Favored 'General case' 0 C--N 1.359 0.985 0 C-N-CA 126.457 1.903 . . . . 1.03 111.981 174.156 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 45.0 tp -74.97 -37.45 61.92 Favored 'General case' 0 C--N 1.361 1.082 0 C-N-CA 127.501 2.32 . . . . 2.3500000000000001 112.54 176.405 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.9 pt -106.13 -19.18 6.69 Favored 'Isoleucine or valine' 0 C--N 1.367 1.344 0 C-N-CA 123.712 0.805 . . . . 1.0700000000000001 112.442 -174.497 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 8.9 tpp180 86.88 68.98 0.01 OUTLIER 'General case' 0 C--N 1.372 1.581 0 C-N-CA 129.3 3.04 . . . . 3.6099999999999999 114.236 171.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 73.8 mt -136.49 -164.5 1.58 Allowed 'General case' 0 C--N 1.363 1.164 0 C-N-CA 124.803 1.241 . . . . 1.1200000000000001 109.4 174.342 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 80.6 p -104.72 146.73 33.2 Favored Pre-proline 0 C--N 1.369 1.415 0 C-N-CA 127.94 2.496 . . . . 1.3600000000000001 108.631 177.843 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_exo -59.29 -19.73 51.93 Favored 'Trans proline' 0 C--N 1.369 1.605 1 C-N-CA 126.583 4.855 . . . . 1.0 117.119 170.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 14.1 t -87.08 -34.7 19.06 Favored 'General case' 0 C--N 1.365 1.259 0 C-N-CA 126.597 1.959 . . . . 1.1299999999999999 111.036 -176.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -79.99 -31.52 39.77 Favored 'General case' 0 C--N 1.372 1.579 0 CA-C-N 119.909 1.231 . . . . 1.04 112.445 179.476 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.9 p -68.96 -39.45 79.8 Favored 'Isoleucine or valine' 0 C--N 1.38 1.919 0 C-N-CA 124.645 1.178 . . . . 1.0700000000000001 112.546 171.257 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.67 -45.13 73.83 Favored 'General case' 0 C--N 1.37 1.468 0 N-CA-C 116.29 1.959 . . . . 1.54 116.29 169.869 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.254 2.3 mt -87.58 -8.18 10.97 Favored 'Isoleucine or valine' 0 C--N 1.368 1.403 0 N-CA-C 115.319 1.6 . . . . 1.3200000000000001 115.319 178.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 36.8 t90 -75.78 -41.89 51.73 Favored 'General case' 0 C--N 1.379 1.856 0 CA-C-N 119.86 1.209 . . . . 0.28000000000000003 110.732 169.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -85.24 -9.23 58.0 Favored 'General case' 0 C--N 1.367 1.347 0 C-N-CA 126.735 2.014 . . . . 0.46000000000000002 113.386 178.647 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -75.46 -41.01 56.71 Favored 'General case' 0 C--N 1.363 1.177 0 C-N-CA 125.839 1.656 . . . . 1.3400000000000001 112.148 168.786 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -93.21 -19.02 21.84 Favored 'General case' 0 C--N 1.366 1.285 0 C-N-CA 125.368 1.467 . . . . 0.56000000000000005 114.455 -173.18 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 11.4 m80 . . . . . 0 C--N 1.363 1.167 0 N-CA-C 115.155 1.539 . . . . 2.3900000000000001 115.155 179.492 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 32.8 m . . . . . 0 N--CA 1.454 -0.24 0 N-CA-C 106.911 -1.515 . . . . 1.3100000000000001 106.911 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.7 pttm -76.06 -10.94 59.82 Favored 'General case' 0 C--N 1.367 1.359 0 C-N-CA 127.554 2.342 . . . . 3.73 116.273 -169.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -78.55 -34.57 47.0 Favored 'General case' 0 C--N 1.367 1.332 0 C-N-CA 126.839 2.055 . . . . 1.1299999999999999 112.679 172.769 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 42.9 mm-40 -76.89 -44.11 33.19 Favored 'General case' 0 C--N 1.366 1.3 0 C-N-CA 128.796 2.839 . . . . 0.85999999999999999 111.272 -174.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 62.4 p -74.49 -28.8 61.17 Favored 'General case' 0 C--N 1.363 1.188 0 C-N-CA 126.493 1.917 . . . . 1.1200000000000001 111.947 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 54.0 t80 -65.63 -51.08 62.33 Favored 'General case' 0 C--N 1.369 1.45 0 C-N-CA 127.494 2.318 . . . . 1.22 112.765 175.661 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -74.45 -34.32 63.14 Favored 'General case' 0 C--N 1.358 0.967 0 N-CA-C 115.741 1.756 . . . . 1.0600000000000001 115.741 -176.51 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 83.2 mt -74.1 -42.32 60.28 Favored 'General case' 0 C--N 1.361 1.077 0 C-N-CA 126.621 1.968 . . . . 1.05 114.369 178.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -69.2 -30.94 69.23 Favored 'General case' 0 C--N 1.363 1.164 0 C-N-CA 127.005 2.122 . . . . 1.6599999999999999 115.382 171.046 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.6 ptm180 -77.49 -31.06 53.38 Favored 'General case' 0 C--N 1.369 1.422 0 N-CA-C 115.364 1.616 . . . . 2.54 115.364 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.254 37.2 mmm-85 -79.73 -16.51 55.49 Favored 'General case' 0 C--N 1.37 1.496 0 C-N-CA 123.879 0.872 . . . . 1.8899999999999999 112.675 164.542 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -75.33 -30.51 60.31 Favored 'General case' 0 C--N 1.368 1.373 0 O-C-N 120.44 -1.412 . . . . 0.82999999999999996 114.344 173.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.3 tpt180 -93.62 -37.51 11.83 Favored 'General case' 0 C--N 1.353 0.736 0 C-N-CA 125.917 1.687 . . . . 4.5700000000000003 114.213 -167.546 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 65.8 tp60 -92.41 -23.22 19.26 Favored 'General case' 0 C--N 1.367 1.359 0 C-N-CA 127.037 2.135 . . . . 2.5299999999999998 112.519 174.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.4 165.59 19.5 Favored 'General case' 0 C--N 1.363 1.177 0 N-CA-C 105.916 -1.883 . . . . 2.04 105.916 -176.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . 0.26 94.1 mtt-85 -89.05 -79.82 0.31 Allowed 'General case' 0 C--N 1.355 0.807 0 N-CA-C 105.92 -1.881 . . . . 4.25 105.92 130.354 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . 2.369 16.5 m-85 70.74 49.28 0.39 Allowed 'General case' 0 C--N 1.362 1.11 0 C-N-CA 130.943 3.697 . . . . 5.9000000000000004 114.631 122.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . 2.337 0.0 OUTLIER -79.8 -122.87 0.01 OUTLIER 'General case' 0 C--N 1.359 1.011 0 C-N-CA 129.207 3.003 . . . . 1.23 110.873 173.04 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 21.7 t 118.44 167.31 0.0 OUTLIER 'General case' 0 C--N 1.378 1.809 0 C-N-CA 130.959 3.704 . . . . 2.04 101.383 -170.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -73.22 -49.42 7.02 Favored Pre-proline 0 C--N 1.347 0.472 0 CA-C-O 116.218 -1.848 . . . . 1.23 114.197 178.81 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -72.52 -17.41 26.7 Favored 'Trans proline' 0 C--N 1.365 1.415 0 CA-C-N 125.067 2.845 . . . . 1.03 116.137 179.474 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.303 1.2 pt-20 -97.37 -14.29 21.34 Favored 'General case' 0 C--N 1.368 1.389 0 CA-C-N 120.327 1.421 . . . . 1.7 113.365 178.692 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 37.2 ttm180 -81.52 -36.11 29.56 Favored 'General case' 0 C--N 1.372 1.583 0 C-N-CA 125.828 1.651 . . . . 3.04 112.307 170.226 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -76.91 -23.15 52.51 Favored 'General case' 0 C--N 1.372 1.568 0 C-N-CA 126.88 2.072 . . . . 1.74 112.662 179.369 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 45.4 t-80 -85.01 -31.19 23.61 Favored 'General case' 0 C--N 1.362 1.14 0 C-N-CA 127.88 2.472 . . . . 2.0099999999999998 110.97 178.694 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -75.85 -35.4 59.95 Favored 'General case' 0 C--N 1.368 1.374 0 C-N-CA 128.201 2.601 . . . . 1.1899999999999999 112.212 174.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -80.79 -29.67 36.04 Favored 'General case' 0 C--N 1.364 1.196 0 C-N-CA 128.131 2.572 . . . . 1.0700000000000001 113.029 -179.378 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 73.8 m -84.57 -29.55 25.75 Favored 'General case' 0 C--N 1.364 1.203 0 C-N-CA 124.796 1.238 . . . . 1.03 113.216 176.034 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 36.6 tp -72.79 -38.2 67.31 Favored 'General case' 0 C--N 1.361 1.092 0 C-N-CA 125.823 1.649 . . . . 2.3500000000000001 113.18 175.224 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.3 pt -99.12 -18.09 6.43 Favored 'Isoleucine or valine' 0 C--N 1.368 1.389 0 C-N-CA 124.085 0.954 . . . . 1.0700000000000001 112.998 -173.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.3 tpp180 95.32 45.1 0.0 OUTLIER 'General case' 0 C--N 1.375 1.676 0 C-N-CA 130.092 3.357 . . . . 3.6099999999999999 114.366 164.257 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 94.6 mt -127.45 -175.57 3.49 Favored 'General case' 0 C--N 1.356 0.889 0 O-C-N 120.636 -1.29 . . . . 1.1200000000000001 109.613 -177.145 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.427 HG22 ' H ' ' A' ' 51' ' ' THR . 71.5 p -90.74 145.59 32.37 Favored Pre-proline 0 C--N 1.369 1.435 0 C-N-CA 126.774 2.029 . . . . 1.3600000000000001 109.482 -178.139 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_exo -61.89 -20.99 71.37 Favored 'Trans proline' 0 C--N 1.366 1.476 1 C-N-CA 126.173 4.582 . . . . 1.0 116.142 173.542 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.427 ' H ' HG22 ' A' ' 49' ' ' THR . 13.6 t -87.74 -29.0 21.4 Favored 'General case' 0 C--N 1.366 1.312 0 C-N-CA 126.613 1.965 . . . . 1.1299999999999999 110.869 -176.794 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -82.27 -33.55 29.11 Favored 'General case' 0 C--N 1.373 1.615 0 CA-C-N 119.575 1.079 . . . . 1.04 112.542 178.684 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.3 p -69.49 -38.02 76.07 Favored 'Isoleucine or valine' 0 C--N 1.378 1.831 0 C-N-CA 125.52 1.528 . . . . 1.0700000000000001 112.624 171.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 6.3 mmmt -53.48 -50.67 64.86 Favored 'General case' 0 C--N 1.373 1.61 0 C-N-CA 127.656 2.382 . . . . 1.54 115.442 169.564 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.0 mt -86.31 -4.81 9.63 Favored 'Isoleucine or valine' 0 C--N 1.366 1.288 0 N-CA-C 114.823 1.416 . . . . 1.3200000000000001 114.823 178.447 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 24.9 t90 -75.77 -43.5 46.23 Favored 'General case' 0 C--N 1.376 1.753 0 C-N-CA 124.856 1.262 . . . . 0.28000000000000003 110.558 169.653 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -82.87 -20.29 35.81 Favored 'General case' 0 C--N 1.371 1.52 0 C-N-CA 125.43 1.492 . . . . 0.46000000000000002 113.098 179.093 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -85.0 -23.92 28.47 Favored 'General case' 0 C--N 1.369 1.433 0 C-N-CA 125.768 1.627 . . . . 1.3400000000000001 112.231 178.238 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 51.5 m-20 -87.4 -28.71 21.99 Favored 'General case' 0 C--N 1.367 1.354 0 C-N-CA 125.48 1.512 . . . . 0.56000000000000005 113.231 171.597 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 2.4 m80 . . . . . 0 C--N 1.365 1.264 0 N-CA-C 115.207 1.558 . . . . 2.3900000000000001 115.207 -173.874 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.6 m . . . . . 0 N--CA 1.466 0.332 0 N-CA-C 110.818 -0.067 . . . . 1.3100000000000001 110.818 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.9 ptmm? -80.61 7.31 10.36 Favored 'General case' 0 C--N 1.37 1.481 0 N-CA-C 116.925 2.194 . . . . 3.73 116.925 -165.588 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.28 -48.92 8.61 Favored 'General case' 0 C--N 1.36 1.049 0 C-N-CA 126.146 1.778 . . . . 1.1299999999999999 111.873 158.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 55.8 mm-40 -76.13 -46.42 28.83 Favored 'General case' 0 C--N 1.368 1.38 0 C-N-CA 128.623 2.769 . . . . 0.85999999999999999 112.374 -168.688 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 59.9 p -70.93 -31.0 67.48 Favored 'General case' 0 C--N 1.37 1.485 0 C-N-CA 127.975 2.51 . . . . 1.1200000000000001 111.981 179.511 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 49.9 t80 -63.68 -53.95 43.33 Favored 'General case' 0 C--N 1.367 1.348 0 C-N-CA 128.873 2.869 . . . . 1.22 112.508 178.042 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -68.32 -37.67 80.79 Favored 'General case' 0 C--N 1.364 1.229 0 C-N-CA 125.977 1.711 . . . . 1.0600000000000001 115.597 -178.632 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 93.7 mt -69.12 -36.12 77.15 Favored 'General case' 0 C--N 1.361 1.082 0 N-CA-C 116.3 1.963 . . . . 1.05 116.3 177.106 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -77.68 -22.21 50.87 Favored 'General case' 0 C--N 1.359 0.99 0 C-N-CA 126.903 2.081 . . . . 1.6599999999999999 113.738 176.244 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . 0.293 8.2 mmt85 -66.87 -55.22 15.69 Favored 'General case' 0 C--N 1.379 1.86 0 C-N-CA 123.318 0.647 . . . . 2.54 111.704 168.761 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.623 2.8 ptm180 -86.27 1.82 49.48 Favored 'General case' 0 C--N 1.372 1.548 0 N-CA-C 115.367 1.617 . . . . 1.8899999999999999 115.367 -171.872 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 25.2 t80 -79.74 -43.02 23.34 Favored 'General case' 0 C--N 1.378 1.832 0 C-N-CA 126.909 2.084 . . . . 0.82999999999999996 113.792 153.811 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.2 tmm_? -80.51 -29.49 37.29 Favored 'General case' 0 C--N 1.368 1.408 0 C-N-CA 125.8 1.64 . . . . 4.5700000000000003 113.884 -173.845 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 66.0 tp60 -88.39 -24.62 23.03 Favored 'General case' 0 C--N 1.368 1.371 0 C-N-CA 127.928 2.491 . . . . 2.5299999999999998 112.528 -178.128 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -161.73 155.17 21.21 Favored 'General case' 0 C--N 1.361 1.1 0 N-CA-C 106.14 -1.8 . . . . 2.04 106.14 -173.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.7 mmm180 -90.13 -48.93 6.87 Favored 'General case' 0 C--N 1.363 1.188 0 C-N-CA 125.306 1.442 . . . . 4.25 109.554 173.842 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . 2.397 39.7 m-85 32.47 -145.87 0.0 OUTLIER 'General case' 0 C--N 1.371 1.536 1 C-N-CA 133.799 4.84 . . . . 5.9000000000000004 117.029 176.005 . . . . . . . . 3 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -155.48 129.92 9.0 Favored 'General case' 0 C--N 1.359 0.987 1 C-N-CA 132.124 4.17 . . . . 1.23 102.696 5.004 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 21.4 p -90.42 165.56 13.77 Favored 'General case' 0 C--N 1.368 1.377 0 C-N-CA 126.847 2.059 . . . . 2.04 109.862 -171.477 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.8 -34.39 14.53 Favored Pre-proline 0 C--N 1.366 1.317 0 N-CA-C 120.206 3.41 . . . . 1.23 120.206 -171.456 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_exo -67.18 -27.45 41.45 Favored 'Trans proline' 0 C--N 1.361 1.213 0 C-N-CA 124.173 3.249 . . . . 1.03 115.581 175.335 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -107.85 -21.82 12.69 Favored 'General case' 0 C--N 1.362 1.122 0 C-N-CA 126.013 1.725 . . . . 1.7 114.764 176.642 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 60.9 ttp85 -78.22 -43.42 28.42 Favored 'General case' 0 C--N 1.377 1.774 0 CA-C-N 121.253 1.842 . . . . 3.04 111.429 179.487 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -82.71 -21.67 34.74 Favored 'General case' 0 C--N 1.368 1.404 0 C-N-CA 127.167 2.187 . . . . 1.74 112.588 -176.605 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 47.1 t-80 -81.91 -26.77 33.8 Favored 'General case' 0 C--N 1.365 1.277 0 C-N-CA 127.735 2.414 . . . . 2.0099999999999998 111.269 177.158 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -69.8 -38.71 76.74 Favored 'General case' 0 C--N 1.368 1.41 0 C-N-CA 128.106 2.562 . . . . 1.1899999999999999 112.543 169.098 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -76.21 -27.42 56.82 Favored 'General case' 0 C--N 1.361 1.106 0 C-N-CA 127.752 2.421 . . . . 1.0700000000000001 113.794 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 68.3 m -85.15 -29.36 24.84 Favored 'General case' 0 C--N 1.36 1.034 0 C-N-CA 125.939 1.695 . . . . 1.03 113.505 175.314 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -76.88 -36.41 56.76 Favored 'General case' 0 C--N 1.364 1.207 0 C-N-CA 127.545 2.338 . . . . 2.3500000000000001 112.199 178.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.0 pt -102.66 -19.71 5.97 Favored 'Isoleucine or valine' 0 C--N 1.365 1.27 0 C-N-CA 124.329 1.052 . . . . 1.0700000000000001 111.489 -175.257 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 11.7 tpp85 85.21 66.85 0.01 OUTLIER 'General case' 0 C--N 1.374 1.644 0 C-N-CA 129.092 2.957 . . . . 3.6099999999999999 113.806 170.505 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 90.5 mt -137.6 -171.47 3.0 Favored 'General case' 0 C--N 1.36 1.039 0 C-N-CA 124.743 1.217 . . . . 1.1200000000000001 108.751 174.127 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 82.4 p -97.09 148.58 34.6 Favored Pre-proline 0 C--N 1.37 1.482 0 C-N-CA 127.498 2.319 . . . . 1.3600000000000001 109.292 178.404 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -59.73 -24.04 74.13 Favored 'Trans proline' 0 C--N 1.364 1.372 1 C-N-CA 126.458 4.772 . . . . 1.0 117.002 170.598 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.6 t -87.75 -25.01 23.63 Favored 'General case' 0 C--N 1.365 1.247 0 C-N-CA 125.331 1.453 . . . . 1.1299999999999999 111.261 -175.781 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -84.96 -33.23 22.68 Favored 'General case' 0 C--N 1.371 1.516 0 C-N-CA 123.943 0.897 . . . . 1.04 112.84 177.319 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.6 p -66.46 -41.99 89.55 Favored 'Isoleucine or valine' 0 C--N 1.381 1.959 0 C-N-CA 125.042 1.337 . . . . 1.0700000000000001 112.615 170.602 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . 0.28 0.0 OUTLIER -72.14 -30.08 64.68 Favored 'General case' 0 C--N 1.366 1.294 0 N-CA-C 115.864 1.801 . . . . 1.54 115.864 176.692 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.265 0.3 OUTLIER -79.58 -13.88 13.29 Favored 'Isoleucine or valine' 0 C--N 1.385 2.118 0 CA-C-N 121.288 1.858 . . . . 1.3200000000000001 113.966 167.076 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 28.1 t90 -75.26 -38.89 60.3 Favored 'General case' 0 C--N 1.38 1.897 0 CA-C-N 120.738 1.608 . . . . 0.28000000000000003 111.762 174.352 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -81.34 -15.68 54.63 Favored 'General case' 0 C--N 1.368 1.372 0 C-N-CA 126.561 1.944 . . . . 0.46000000000000002 112.716 178.464 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -69.99 -45.42 67.33 Favored 'General case' 0 C--N 1.366 1.321 0 C-N-CA 127.001 2.12 . . . . 1.3400000000000001 113.124 165.249 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 64.5 m-20 -95.06 -28.97 14.83 Favored 'General case' 0 C--N 1.365 1.254 0 C-N-CA 125.605 1.562 . . . . 0.56000000000000005 114.244 -167.174 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 2.0 t60 . . . . . 0 C--N 1.366 1.316 0 C-N-CA 124.766 1.226 . . . . 2.3900000000000001 114.092 -174.549 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 27.1 m . . . . . 0 CA--C 1.519 -0.213 0 N-CA-C 108.454 -0.943 . . . . 1.3100000000000001 108.454 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -85.02 8.78 16.62 Favored 'General case' 0 C--N 1.37 1.481 0 C-N-CA 126.898 2.079 . . . . 3.73 114.896 -170.26 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.18 -47.51 10.05 Favored 'General case' 0 C--N 1.36 1.049 0 C-N-CA 126.533 1.933 . . . . 1.1299999999999999 111.778 160.222 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 50.6 mm-40 -72.14 -51.85 19.4 Favored 'General case' 0 C--N 1.37 1.492 0 C-N-CA 129.03 2.932 . . . . 0.85999999999999999 112.774 -170.675 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 67.0 p -68.15 -35.33 77.9 Favored 'General case' 0 C--N 1.368 1.411 0 C-N-CA 127.772 2.429 . . . . 1.1200000000000001 112.749 -178.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 46.0 t80 -63.13 -53.83 47.29 Favored 'General case' 0 C--N 1.365 1.261 0 C-N-CA 129.191 2.996 . . . . 1.22 112.83 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -67.6 -40.28 84.75 Favored 'General case' 0 C--N 1.362 1.139 0 C-N-CA 126.73 2.012 . . . . 1.0600000000000001 115.152 -178.661 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 98.3 mt -67.01 -35.69 80.48 Favored 'General case' 0 C--N 1.361 1.07 0 C-N-CA 126.725 2.01 . . . . 1.05 115.791 178.101 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -78.15 -25.34 47.28 Favored 'General case' 0 C--N 1.358 0.96 0 C-N-CA 127.061 2.144 . . . . 1.6599999999999999 114.566 175.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . 0.299 5.3 mmt85 -68.13 -50.17 56.39 Favored 'General case' 0 C--N 1.378 1.826 0 C-N-CA 123.512 0.725 . . . . 2.54 111.857 172.816 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.441 0.0 OUTLIER -84.71 6.15 25.42 Favored 'General case' 0 C--N 1.374 1.67 0 CA-C-N 114.662 -1.154 . . . . 1.8899999999999999 114.102 179.881 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -87.55 -31.94 19.63 Favored 'General case' 0 C--N 1.37 1.49 0 C-N-CA 126.13 1.772 . . . . 0.82999999999999996 114.597 157.608 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 33.4 mmt-85 -81.79 -41.7 20.78 Favored 'General case' 0 C--N 1.371 1.53 0 CA-C-N 120.872 1.669 . . . . 4.5700000000000003 113.696 179.103 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 66.5 tp60 -90.91 -22.87 20.68 Favored 'General case' 0 C--N 1.367 1.335 0 C-N-CA 127.799 2.439 . . . . 2.5299999999999998 112.979 -170.774 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -150.9 156.85 42.06 Favored 'General case' 0 C--N 1.361 1.068 0 N-CA-C 105.876 -1.898 . . . . 2.04 105.876 -177.159 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 15.5 mtm105 -105.45 -38.04 6.61 Favored 'General case' 0 C--N 1.364 1.208 0 C-N-CA 124.344 1.057 . . . . 4.25 110.535 -178.578 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . 0.484 0.2 OUTLIER -69.46 -84.27 0.03 OUTLIER 'General case' 0 C--N 1.37 1.488 0 N-CA-C 118.72 2.859 . . . . 5.9000000000000004 118.72 -145.478 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -129.58 159.51 36.13 Favored 'General case' 0 C--N 1.37 1.473 1 C-N-CA 136.56 5.944 . . . . 1.23 100.25 15.411 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 24.7 p -74.71 153.08 39.02 Favored 'General case' 0 C--N 1.384 2.096 0 CA-C-N 122.504 2.411 . . . . 2.04 112.589 178.757 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.09 -37.64 40.17 Favored Pre-proline 0 C--N 1.366 1.284 0 N-CA-C 118.558 2.799 . . . . 1.23 118.558 -167.802 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -68.55 -17.88 43.25 Favored 'Trans proline' 0 C--N 1.364 1.391 0 C-N-CA 124.529 3.486 . . . . 1.03 115.44 173.421 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -106.16 -14.71 15.06 Favored 'General case' 0 C--N 1.363 1.157 0 C-N-CA 125.714 1.605 . . . . 1.7 114.699 174.05 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 46.0 ttp85 -79.67 -46.39 17.25 Favored 'General case' 0 C--N 1.377 1.768 0 C-N-CA 126.294 1.838 . . . . 3.04 111.528 177.473 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -79.35 -27.66 42.0 Favored 'General case' 0 C--N 1.369 1.416 0 C-N-CA 128.212 2.605 . . . . 1.74 112.342 -176.596 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 45.6 t-80 -83.58 -25.75 30.64 Favored 'General case' 0 C--N 1.364 1.208 0 C-N-CA 127.713 2.405 . . . . 2.0099999999999998 111.243 -179.478 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -69.45 -35.65 75.85 Favored 'General case' 0 C--N 1.368 1.391 0 C-N-CA 127.886 2.474 . . . . 1.1899999999999999 112.708 167.816 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.54 -28.94 62.15 Favored 'General case' 0 C--N 1.362 1.147 0 C-N-CA 126.989 2.116 . . . . 1.0700000000000001 113.822 175.608 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 50.3 m -85.13 -30.55 23.9 Favored 'General case' 0 C--N 1.36 1.038 0 C-N-CA 125.552 1.541 . . . . 1.03 114.538 174.577 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -78.28 -34.85 48.68 Favored 'General case' 0 C--N 1.362 1.117 0 C-N-CA 127.36 2.264 . . . . 2.3500000000000001 112.292 -178.263 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.7 pt -100.65 -21.36 5.14 Favored 'Isoleucine or valine' 0 C--N 1.364 1.238 0 C-N-CA 124.486 1.114 . . . . 1.0700000000000001 111.344 -177.71 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 18.0 tpp180 86.09 66.25 0.01 OUTLIER 'General case' 0 C--N 1.374 1.651 0 C-N-CA 128.975 2.91 . . . . 3.6099999999999999 114.058 170.459 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 85.2 mt -134.52 -163.61 1.4 Allowed 'General case' 0 C--N 1.356 0.87 0 N-CA-C 107.193 -1.41 . . . . 1.1200000000000001 107.193 172.524 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 68.4 p -104.82 148.55 36.28 Favored Pre-proline 0 C--N 1.367 1.332 0 C-N-CA 127.258 2.223 . . . . 1.3600000000000001 107.431 178.039 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_exo -60.18 -20.22 60.72 Favored 'Trans proline' 0 C--N 1.362 1.273 1 C-N-CA 126.073 4.515 . . . . 1.0 116.911 171.039 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.5 t -87.07 -29.99 21.48 Favored 'General case' 0 C--N 1.366 1.286 0 C-N-CA 126.302 1.841 . . . . 1.1299999999999999 111.394 -177.083 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -84.3 -30.8 25.28 Favored 'General case' 0 C--N 1.372 1.574 0 CA-C-N 119.428 1.013 . . . . 1.04 112.602 179.028 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.7 p -67.12 -39.38 83.07 Favored 'Isoleucine or valine' 0 C--N 1.38 1.92 0 C-N-CA 124.995 1.318 . . . . 1.0700000000000001 112.959 168.225 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.68 -53.11 51.88 Favored 'General case' 0 C--N 1.374 1.66 0 C-N-CA 127.77 2.428 . . . . 1.54 115.626 169.479 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.284 5.7 mt -85.02 -5.44 9.66 Favored 'Isoleucine or valine' 0 C--N 1.37 1.474 0 N-CA-C 114.917 1.451 . . . . 1.3200000000000001 114.917 -179.031 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 33.5 t90 -74.74 -42.43 58.28 Favored 'General case' 0 C--N 1.378 1.839 0 C-N-CA 125.376 1.47 . . . . 0.28000000000000003 110.764 166.099 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -84.21 -11.46 56.48 Favored 'General case' 0 C--N 1.366 1.286 0 C-N-CA 126.016 1.726 . . . . 0.46000000000000002 113.725 -179.627 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 -80.83 -35.33 33.05 Favored 'General case' 0 C--N 1.357 0.918 0 C-N-CA 127.522 2.329 . . . . 1.3400000000000001 111.866 170.84 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 61.2 m-20 -88.98 -42.83 11.55 Favored 'General case' 0 C--N 1.367 1.344 0 C-N-CA 126.261 1.824 . . . . 0.56000000000000005 113.434 -174.541 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 1.9 t60 . . . . . 0 C--N 1.366 1.285 0 N-CA-C 116.893 2.183 . . . . 2.3900000000000001 116.893 -171.735 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 24.5 m . . . . . 0 CA--C 1.52 -0.188 0 N-CA-C 107.96 -1.126 . . . . 1.3100000000000001 107.96 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -85.05 7.88 19.89 Favored 'General case' 0 C--N 1.368 1.41 0 C-N-CA 126.852 2.061 . . . . 3.73 114.623 -171.823 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.17 -45.27 12.19 Favored 'General case' 0 C--N 1.361 1.077 0 C-N-CA 126.779 2.032 . . . . 1.1299999999999999 112.141 162.334 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 46.3 mm-40 -77.67 -48.11 17.59 Favored 'General case' 0 C--N 1.37 1.48 0 C-N-CA 127.858 2.463 . . . . 0.85999999999999999 112.092 -169.45 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 62.4 p -66.6 -38.08 86.22 Favored 'General case' 0 C--N 1.374 1.64 0 C-N-CA 127.717 2.407 . . . . 1.1200000000000001 112.513 178.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 49.2 t80 -58.57 -57.13 14.32 Favored 'General case' 0 C--N 1.369 1.422 0 C-N-CA 129.218 3.007 . . . . 1.22 112.69 177.191 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -67.9 -36.66 80.59 Favored 'General case' 0 C--N 1.367 1.352 0 C-N-CA 126.466 1.906 . . . . 1.0600000000000001 115.272 -175.542 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 97.5 mt -67.36 -37.46 83.26 Favored 'General case' 0 C--N 1.364 1.212 0 C-N-CA 126.232 1.813 . . . . 1.05 115.799 176.062 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -76.77 -26.39 54.45 Favored 'General case' 0 C--N 1.36 1.05 0 C-N-CA 126.538 1.935 . . . . 1.6599999999999999 114.579 177.064 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 10.5 mtm180 -70.94 -46.4 62.49 Favored 'General case' 0 C--N 1.375 1.689 0 C-N-CA 124.153 0.981 . . . . 2.54 112.349 174.725 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.322 19.0 mmm-85 -72.79 -22.25 60.86 Favored 'General case' 0 C--N 1.379 1.89 0 N-CA-C 113.22 0.822 . . . . 1.8899999999999999 113.22 -178.034 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -73.64 -33.67 64.63 Favored 'General case' 0 C--N 1.38 1.91 0 C-N-CA 125.718 1.607 . . . . 0.82999999999999996 113.034 169.26 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.8 mmm-85 -73.03 -29.11 62.76 Favored 'General case' 0 C--N 1.369 1.447 0 C-N-CA 126.083 1.753 . . . . 4.5700000000000003 115.422 174.223 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 89.8 mm-40 -92.53 -29.13 16.36 Favored 'General case' 0 C--N 1.363 1.165 0 C-N-CA 126.217 1.807 . . . . 2.5299999999999998 112.775 -179.011 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -158.49 172.42 18.35 Favored 'General case' 0 C--N 1.364 1.228 0 N-CA-C 107.862 -1.162 . . . . 2.04 107.862 179.522 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 60.9 mmt-85 -105.32 -38.66 6.43 Favored 'General case' 0 C--N 1.358 0.946 0 C-N-CA 126.046 1.738 . . . . 4.25 110.0 -176.617 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 -130.69 142.0 50.42 Favored 'General case' 0 C--N 1.359 1.012 0 C-N-CA 125.884 1.674 . . . . 5.9000000000000004 107.028 -174.445 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -146.43 120.16 9.23 Favored 'General case' 0 CA--C 1.501 -0.925 0 N-CA-C 103.272 -2.862 . . . . 1.23 103.272 -172.419 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 10.7 m -97.62 165.94 11.74 Favored 'General case' 0 C--N 1.366 1.311 0 C-N-CA 126.534 1.934 . . . . 2.04 108.698 -169.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -42.9 -36.82 1.73 Allowed Pre-proline 0 C--N 1.367 1.347 0 N-CA-C 121.402 3.853 . . . . 1.23 121.402 -170.113 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_exo -67.26 -32.76 32.5 Favored 'Trans proline' 0 C--N 1.361 1.193 0 C-N-CA 124.315 3.343 . . . . 1.03 115.064 174.619 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -102.86 -20.3 14.34 Favored 'General case' 0 C--N 1.362 1.118 0 C-N-CA 126.365 1.866 . . . . 1.7 114.785 177.124 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 43.0 ttp180 -80.17 -42.06 24.12 Favored 'General case' 0 C--N 1.374 1.663 0 C-N-CA 126.323 1.849 . . . . 3.04 111.712 -179.318 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -80.75 -20.11 43.45 Favored 'General case' 0 C--N 1.368 1.396 0 C-N-CA 126.43 1.892 . . . . 1.74 112.129 -178.323 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 44.5 t-80 -80.68 -27.66 37.0 Favored 'General case' 0 C--N 1.365 1.282 0 C-N-CA 128.102 2.561 . . . . 2.0099999999999998 111.781 175.212 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -74.42 -31.4 62.3 Favored 'General case' 0 C--N 1.37 1.464 0 C-N-CA 128.169 2.588 . . . . 1.1899999999999999 112.369 172.122 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -80.28 -27.02 38.64 Favored 'General case' 0 C--N 1.364 1.234 0 C-N-CA 127.669 2.388 . . . . 1.0700000000000001 112.936 176.527 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 70.8 m -85.16 -26.3 26.91 Favored 'General case' 0 C--N 1.36 1.05 0 C-N-CA 126.099 1.76 . . . . 1.03 113.298 173.429 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 50.4 tp -74.4 -39.31 62.76 Favored 'General case' 0 C--N 1.362 1.139 0 C-N-CA 127.451 2.3 . . . . 2.3500000000000001 112.462 176.827 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.4 pt -106.09 -17.86 7.41 Favored 'Isoleucine or valine' 0 C--N 1.366 1.295 0 C-N-CA 123.698 0.799 . . . . 1.0700000000000001 112.136 -173.726 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 12.4 tpp180 87.89 66.54 0.01 OUTLIER 'General case' 0 C--N 1.373 1.606 0 C-N-CA 129.277 3.031 . . . . 3.6099999999999999 114.047 169.055 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 87.0 mt -136.17 -167.58 2.07 Favored 'General case' 0 C--N 1.362 1.152 0 C-N-CA 124.18 0.992 . . . . 1.1200000000000001 109.515 176.443 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 80.0 p -100.96 148.37 34.98 Favored Pre-proline 0 C--N 1.369 1.451 0 C-N-CA 128.084 2.554 . . . . 1.3600000000000001 108.58 178.103 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_exo -59.42 -21.25 60.4 Favored 'Trans proline' 0 C--N 1.365 1.412 1 C-N-CA 126.474 4.783 . . . . 1.0 117.122 171.439 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.8 t -87.34 -31.48 20.14 Favored 'General case' 0 C--N 1.365 1.261 0 C-N-CA 126.041 1.737 . . . . 1.1299999999999999 111.137 -175.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -83.13 -29.93 28.3 Favored 'General case' 0 C--N 1.37 1.466 0 CA-C-N 119.556 1.071 . . . . 1.04 112.633 178.881 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.2 p -69.54 -40.91 80.2 Favored 'Isoleucine or valine' 0 C--N 1.38 1.907 0 C-N-CA 124.52 1.128 . . . . 1.0700000000000001 112.549 170.751 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.9 tppt? -57.87 -44.76 86.83 Favored 'General case' 0 C--N 1.371 1.526 0 C-N-CA 127.977 2.511 . . . . 1.54 114.058 173.631 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.303 4.8 mt -88.85 -6.35 10.76 Favored 'Isoleucine or valine' 0 C--N 1.367 1.348 0 N-CA-C 115.454 1.649 . . . . 1.3200000000000001 115.454 179.536 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 40.1 t90 -75.03 -40.48 60.43 Favored 'General case' 0 C--N 1.378 1.831 0 CA-C-N 120.32 1.418 . . . . 0.28000000000000003 111.342 166.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -80.74 -15.78 55.57 Favored 'General case' 0 C--N 1.367 1.366 0 C-N-CA 126.388 1.875 . . . . 0.46000000000000002 113.361 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -79.0 -33.81 44.65 Favored 'General case' 0 C--N 1.361 1.068 0 C-N-CA 127.691 2.396 . . . . 1.3400000000000001 112.57 171.882 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -94.9 -35.82 11.87 Favored 'General case' 0 C--N 1.367 1.336 0 C-N-CA 125.662 1.585 . . . . 0.56000000000000005 114.652 -174.736 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 2.3 t60 . . . . . 0 C--N 1.364 1.209 0 N-CA-C 115.152 1.538 . . . . 2.3900000000000001 115.152 -170.932 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 27.3 m . . . . . 0 CA--C 1.521 -0.15 0 N-CA-C 107.214 -1.402 . . . . 1.3100000000000001 107.214 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.37 -7.79 56.65 Favored 'General case' 0 C--N 1.369 1.419 0 C-N-CA 126.927 2.091 . . . . 3.73 116.206 -168.448 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -82.59 -38.2 23.97 Favored 'General case' 0 C--N 1.364 1.238 0 C-N-CA 126.432 1.893 . . . . 1.1299999999999999 112.419 171.076 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 45.7 mm-40 -77.96 -42.64 32.24 Favored 'General case' 0 C--N 1.368 1.385 0 C-N-CA 127.562 2.345 . . . . 0.85999999999999999 111.326 -173.125 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 77.9 p -68.38 -36.49 79.24 Favored 'General case' 0 C--N 1.372 1.584 0 C-N-CA 127.484 2.314 . . . . 1.1200000000000001 112.524 178.549 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 54.0 t80 -63.34 -51.92 63.97 Favored 'General case' 0 C--N 1.371 1.501 0 C-N-CA 129.346 3.058 . . . . 1.22 112.917 178.771 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -73.23 -34.79 66.08 Favored 'General case' 0 C--N 1.361 1.068 0 N-CA-C 115.237 1.569 . . . . 1.0600000000000001 115.237 -176.555 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 84.5 mt -69.25 -43.03 74.8 Favored 'General case' 0 C--N 1.366 1.303 0 C-N-CA 126.114 1.765 . . . . 1.05 114.456 176.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -69.86 -32.27 70.56 Favored 'General case' 0 C--N 1.363 1.171 0 C-N-CA 126.05 1.74 . . . . 1.6599999999999999 115.433 174.082 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.7 ptm180 -80.05 -27.69 39.38 Favored 'General case' 0 C--N 1.369 1.442 0 N-CA-C 115.39 1.626 . . . . 2.54 115.39 -177.204 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.266 33.1 mmm-85 -74.8 -28.44 60.72 Favored 'General case' 0 C--N 1.372 1.57 0 C-N-CA 124.309 1.044 . . . . 1.8899999999999999 112.073 165.098 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -68.88 -33.74 74.28 Favored 'General case' 0 C--N 1.375 1.713 0 C-N-CA 126.146 1.778 . . . . 0.82999999999999996 113.983 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 37.4 mmt-85 -81.72 -15.27 54.93 Favored 'General case' 0 C--N 1.363 1.18 0 C-N-CA 124.887 1.275 . . . . 4.5700000000000003 114.217 -178.518 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 88.8 mm-40 -95.2 -29.67 14.41 Favored 'General case' 0 C--N 1.369 1.431 0 C-N-CA 125.943 1.697 . . . . 2.5299999999999998 113.058 172.046 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -164.97 154.57 13.13 Favored 'General case' 0 C--N 1.365 1.26 0 N-CA-C 105.351 -2.092 . . . . 2.04 105.351 -168.572 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 83.3 mtt-85 -102.83 -34.47 8.98 Favored 'General case' 0 C--N 1.362 1.141 0 O-C-N 120.842 -1.161 . . . . 4.25 108.915 -178.725 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 44.6 p90 -115.37 142.68 46.37 Favored 'General case' 0 N--CA 1.441 -0.925 0 C-N-CA 127.089 2.156 . . . . 5.9000000000000004 107.611 -178.17 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -150.5 121.82 7.85 Favored 'General case' 0 CA--C 1.497 -1.066 0 N-CA-C 102.466 -3.161 . . . . 1.23 102.466 -173.121 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 26.1 p -87.23 167.48 14.07 Favored 'General case' 0 C--N 1.366 1.305 0 C-N-CA 127.406 2.282 . . . . 2.04 110.008 -170.609 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.48 -35.53 16.3 Favored Pre-proline 0 C--N 1.366 1.32 0 N-CA-C 120.059 3.355 . . . . 1.23 120.059 -172.502 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -67.69 -31.07 33.5 Favored 'Trans proline' 0 C--N 1.362 1.237 0 C-N-CA 124.318 3.345 . . . . 1.03 115.281 173.369 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -100.15 -21.23 15.62 Favored 'General case' 0 C--N 1.363 1.162 0 C-N-CA 126.559 1.943 . . . . 1.7 114.4 177.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 35.4 ttm180 -79.58 -41.98 25.99 Favored 'General case' 0 C--N 1.373 1.606 0 C-N-CA 127.063 2.145 . . . . 3.04 111.282 -178.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -81.38 -20.43 40.54 Favored 'General case' 0 C--N 1.369 1.433 0 C-N-CA 126.995 2.118 . . . . 1.74 112.224 -177.652 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 47.9 t-80 -81.65 -27.16 34.24 Favored 'General case' 0 C--N 1.366 1.286 0 C-N-CA 128.225 2.61 . . . . 2.0099999999999998 111.634 175.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -75.3 -32.12 60.89 Favored 'General case' 0 C--N 1.369 1.433 0 C-N-CA 128.169 2.588 . . . . 1.1899999999999999 112.488 172.032 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.27 -25.96 36.14 Favored 'General case' 0 C--N 1.364 1.223 0 C-N-CA 127.727 2.411 . . . . 1.0700000000000001 113.021 177.776 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 69.5 m -85.15 -27.1 26.43 Favored 'General case' 0 C--N 1.359 1.007 0 C-N-CA 125.955 1.702 . . . . 1.03 113.085 173.354 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.0 tt -72.89 -40.49 65.53 Favored 'General case' 0 C--N 1.363 1.183 0 C-N-CA 127.774 2.43 . . . . 2.3500000000000001 112.581 175.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.3 pt -106.0 -17.27 7.72 Favored 'Isoleucine or valine' 0 C--N 1.365 1.252 0 C-N-CA 123.812 0.845 . . . . 1.0700000000000001 111.887 -173.296 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 22.8 tpt180 91.22 61.86 0.0 OUTLIER 'General case' 0 C--N 1.374 1.631 0 C-N-CA 129.436 3.094 . . . . 3.6099999999999999 114.377 163.662 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 68.8 mt -131.83 -168.08 1.97 Allowed 'General case' 0 C--N 1.365 1.252 0 O-C-N 121.239 -0.913 . . . . 1.1200000000000001 111.425 -178.405 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 64.4 p -98.32 147.6 33.35 Favored Pre-proline 0 C--N 1.371 1.511 0 C-N-CA 128.066 2.546 . . . . 1.3600000000000001 108.803 175.77 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_exo -61.83 -18.46 60.98 Favored 'Trans proline' 0 C--N 1.366 1.454 1 C-N-CA 126.171 4.58 . . . . 1.0 116.576 172.58 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.6 t -88.25 -30.84 19.38 Favored 'General case' 0 C--N 1.365 1.247 0 C-N-CA 126.683 1.993 . . . . 1.1299999999999999 111.332 -176.75 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -83.12 -31.44 27.23 Favored 'General case' 0 C--N 1.371 1.535 0 CA-C-N 119.845 1.202 . . . . 1.04 112.161 178.159 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.1 p -67.69 -42.0 85.97 Favored 'Isoleucine or valine' 0 C--N 1.382 1.993 0 C-N-CA 124.237 1.015 . . . . 1.0700000000000001 112.907 169.511 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.08 -48.66 73.22 Favored 'General case' 0 C--N 1.372 1.555 0 C-N-CA 127.075 2.15 . . . . 1.54 115.781 172.898 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.288 5.9 mt -86.56 -8.48 11.08 Favored 'Isoleucine or valine' 0 C--N 1.366 1.305 0 N-CA-C 114.961 1.467 . . . . 1.3200000000000001 114.961 -178.511 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 34.1 t90 -74.28 -42.65 59.23 Favored 'General case' 0 C--N 1.379 1.866 0 CA-C-N 120.097 1.317 . . . . 0.28000000000000003 111.325 166.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -83.64 -10.88 57.91 Favored 'General case' 0 C--N 1.368 1.377 0 C-N-CA 126.166 1.786 . . . . 0.46000000000000002 113.766 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -76.58 -42.1 43.92 Favored 'General case' 0 C--N 1.359 0.984 0 C-N-CA 127.345 2.258 . . . . 1.3400000000000001 112.294 170.301 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -91.69 -23.13 19.9 Favored 'General case' 0 C--N 1.366 1.31 0 C-N-CA 125.71 1.604 . . . . 0.56000000000000005 113.9 -173.792 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 2.3 m80 . . . . . 0 C--N 1.364 1.234 0 N-CA-C 115.457 1.651 . . . . 2.3900000000000001 115.457 -175.208 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 13.3 m . . . . . 0 N--CA 1.472 0.631 0 N-CA-C 115.974 1.842 . . . . 1.3100000000000001 115.974 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 50.1 pttt -78.59 6.33 8.96 Favored 'General case' 0 C--N 1.373 1.599 0 C-N-CA 127.502 2.321 . . . . 3.73 115.417 -173.549 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.31 -52.47 5.87 Favored 'General case' 0 C--N 1.361 1.082 0 C-N-CA 127.195 2.198 . . . . 1.1299999999999999 110.847 160.402 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 44.4 mm-40 -66.64 -50.28 63.47 Favored 'General case' 0 C--N 1.375 1.706 0 C-N-CA 128.804 2.841 . . . . 0.85999999999999999 113.494 -177.018 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 59.9 p -70.48 -35.2 73.14 Favored 'General case' 0 C--N 1.366 1.298 0 C-N-CA 126.953 2.101 . . . . 1.1200000000000001 113.26 -178.049 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 51.8 t80 -64.44 -49.74 70.27 Favored 'General case' 0 C--N 1.367 1.361 0 C-N-CA 127.748 2.419 . . . . 1.22 113.273 178.78 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -74.4 -34.75 63.37 Favored 'General case' 0 C--N 1.358 0.958 0 N-CA-C 115.326 1.602 . . . . 1.0600000000000001 115.326 -176.804 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 90.3 mt -70.79 -43.36 68.86 Favored 'General case' 0 C--N 1.363 1.164 0 C-N-CA 126.1 1.76 . . . . 1.05 114.486 177.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 75.9 mt-10 -69.34 -32.62 71.83 Favored 'General case' 0 C--N 1.363 1.191 0 C-N-CA 127.222 2.209 . . . . 1.6599999999999999 115.404 173.286 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.8 ptm180 -79.04 -27.01 43.13 Favored 'General case' 0 C--N 1.369 1.431 0 N-CA-C 115.016 1.487 . . . . 2.54 115.016 -178.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 38.0 mmm-85 -76.18 -30.25 57.98 Favored 'General case' 0 C--N 1.368 1.407 0 C-N-CA 124.158 0.983 . . . . 1.8899999999999999 112.334 164.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -68.1 -34.23 76.01 Favored 'General case' 0 C--N 1.375 1.708 0 C-N-CA 126.879 2.072 . . . . 0.82999999999999996 114.037 -174.587 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 45.6 mmt-85 -77.24 -21.44 53.74 Favored 'General case' 0 C--N 1.364 1.203 0 C-N-CA 125.454 1.502 . . . . 4.5700000000000003 114.766 178.12 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 65.3 tp60 -94.04 -27.99 15.99 Favored 'General case' 0 N--CA 1.433 -1.315 0 C-N-CA 128.344 2.657 . . . . 2.5299999999999998 112.53 178.391 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -171.15 152.83 3.53 Favored 'General case' 0 C--N 1.367 1.362 0 N-CA-C 107.024 -1.473 . . . . 2.04 107.024 -168.066 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 23.8 mmt85 -105.07 -34.62 7.91 Favored 'General case' 0 C--N 1.361 1.099 0 C-N-CA 125.122 1.369 . . . . 4.25 110.369 -177.822 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 52.9 m-85 -122.89 139.74 53.72 Favored 'General case' 0 C--N 1.356 0.888 0 C-N-CA 125.379 1.471 . . . . 5.9000000000000004 107.576 179.599 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -144.47 122.21 11.9 Favored 'General case' 0 CA--C 1.502 -0.894 0 N-CA-C 102.455 -3.165 . . . . 1.23 102.455 -169.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 25.6 p -86.8 165.85 15.68 Favored 'General case' 0 C--N 1.366 1.293 0 C-N-CA 127.73 2.412 . . . . 2.04 110.724 -170.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.63 -37.27 15.98 Favored Pre-proline 0 C--N 1.367 1.333 0 N-CA-C 120.683 3.586 . . . . 1.23 120.683 -170.573 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -67.7 -29.79 35.42 Favored 'Trans proline' 0 C--N 1.361 1.19 0 C-N-CA 124.337 3.358 . . . . 1.03 115.006 175.082 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -102.22 -21.04 14.44 Favored 'General case' 0 C--N 1.361 1.094 0 C-N-CA 126.605 1.962 . . . . 1.7 114.603 177.363 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 43.0 ttp180 -80.66 -41.67 23.41 Favored 'General case' 0 C--N 1.372 1.576 0 C-N-CA 126.453 1.901 . . . . 3.04 112.059 -178.439 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -80.42 -22.07 41.56 Favored 'General case' 0 C--N 1.367 1.344 0 C-N-CA 127.402 2.281 . . . . 1.74 111.861 -178.432 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 21.2 t60 -82.53 -26.23 32.68 Favored 'General case' 0 C--N 1.367 1.333 0 C-N-CA 127.84 2.456 . . . . 2.0099999999999998 111.299 177.282 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -75.8 -31.65 59.54 Favored 'General case' 0 C--N 1.368 1.398 0 C-N-CA 128.423 2.689 . . . . 1.1899999999999999 112.07 172.549 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.32 -28.53 42.15 Favored 'General case' 0 C--N 1.365 1.28 0 C-N-CA 128.067 2.547 . . . . 1.0700000000000001 113.21 177.042 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 70.4 m -85.21 -25.06 27.57 Favored 'General case' 0 C--N 1.361 1.083 0 C-N-CA 126.053 1.741 . . . . 1.03 113.414 174.443 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -73.71 -41.52 62.46 Favored 'General case' 0 C--N 1.362 1.11 0 C-N-CA 127.628 2.371 . . . . 2.3500000000000001 112.231 175.663 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.3 pt -105.64 -15.31 8.62 Favored 'Isoleucine or valine' 0 C--N 1.364 1.239 0 C-N-CA 123.768 0.827 . . . . 1.0700000000000001 112.577 -171.817 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 7.9 tpp180 85.19 65.42 0.01 OUTLIER 'General case' 0 C--N 1.372 1.555 0 C-N-CA 128.748 2.819 . . . . 3.6099999999999999 114.057 171.161 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 92.0 mt -136.25 -172.8 3.23 Favored 'General case' 0 C--N 1.363 1.173 0 O-C-N 121.436 -0.79 . . . . 1.1200000000000001 109.485 175.087 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 81.9 p -94.48 147.21 32.87 Favored Pre-proline 0 C--N 1.371 1.521 0 C-N-CA 127.876 2.47 . . . . 1.3600000000000001 108.758 177.036 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_exo -60.98 -21.62 71.98 Favored 'Trans proline' 0 C--N 1.364 1.344 1 C-N-CA 126.226 4.617 . . . . 1.0 116.52 172.659 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.4 t -88.45 -29.03 20.48 Favored 'General case' 0 C--N 1.366 1.311 0 C-N-CA 125.99 1.716 . . . . 1.1299999999999999 111.281 -175.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -82.6 -32.23 28.51 Favored 'General case' 0 C--N 1.372 1.55 0 CA-C-N 119.672 1.124 . . . . 1.04 112.513 177.478 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.9 p -68.29 -42.35 84.38 Favored 'Isoleucine or valine' 0 C--N 1.38 1.901 0 C-N-CA 125.158 1.383 . . . . 1.0700000000000001 112.708 172.641 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.31 -49.91 72.96 Favored 'General case' 0 C--N 1.372 1.577 0 C-N-CA 128.409 2.684 . . . . 1.54 114.105 172.898 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.285 6.1 mt -85.44 -5.28 9.66 Favored 'Isoleucine or valine' 0 C--N 1.367 1.33 0 N-CA-C 115.078 1.51 . . . . 1.3200000000000001 115.078 -179.589 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 28.9 t90 -74.43 -43.17 57.43 Favored 'General case' 0 C--N 1.378 1.837 0 C-N-CA 125.586 1.554 . . . . 0.28000000000000003 110.762 166.85 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -83.14 -15.64 49.92 Favored 'General case' 0 C--N 1.37 1.488 0 C-N-CA 125.703 1.601 . . . . 0.46000000000000002 113.663 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -76.22 -36.96 58.33 Favored 'General case' 0 C--N 1.364 1.204 0 C-N-CA 127.354 2.261 . . . . 1.3400000000000001 112.32 174.473 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 72.5 m-20 -89.26 -21.48 23.19 Favored 'General case' 0 C--N 1.365 1.241 0 C-N-CA 126.446 1.898 . . . . 0.56000000000000005 113.292 -177.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 1.2 m80 . . . . . 0 C--N 1.365 1.254 0 N-CA-C 115.879 1.807 . . . . 2.3900000000000001 115.879 -172.44 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 30.1 m . . . . . 0 CA--C 1.522 -0.116 0 N-CA-C 106.72 -1.585 . . . . 1.3100000000000001 106.72 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.14 -11.85 60.17 Favored 'General case' 0 C--N 1.367 1.354 0 C-N-CA 127.028 2.131 . . . . 3.73 116.608 -168.076 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -80.22 -36.17 35.13 Favored 'General case' 0 C--N 1.365 1.278 0 C-N-CA 126.536 1.935 . . . . 1.1299999999999999 112.584 172.849 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 45.6 mm-40 -77.44 -42.96 34.08 Favored 'General case' 0 C--N 1.368 1.38 0 C-N-CA 127.879 2.472 . . . . 0.85999999999999999 111.111 -173.409 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 82.0 p -70.41 -35.17 73.28 Favored 'General case' 0 C--N 1.371 1.513 0 C-N-CA 127.181 2.193 . . . . 1.1200000000000001 112.447 178.535 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -62.79 -50.84 69.43 Favored 'General case' 0 C--N 1.372 1.562 0 C-N-CA 128.906 2.882 . . . . 1.22 112.959 177.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.451 ' HB3' HD21 ' A' ' 42' ' ' LEU . 75.3 mm-40 -74.04 -37.49 64.3 Favored 'General case' 0 C--N 1.359 0.982 0 C-N-CA 125.905 1.682 . . . . 1.0600000000000001 115.377 -175.571 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 80.6 mt -67.85 -44.58 76.84 Favored 'General case' 0 C--N 1.368 1.389 0 C-N-CA 126.104 1.761 . . . . 1.05 114.255 177.183 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -68.29 -30.32 69.3 Favored 'General case' 0 C--N 1.364 1.213 0 C-N-CA 126.36 1.864 . . . . 1.6599999999999999 114.784 173.466 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . 0.312 3.6 ptm180 -72.14 -49.2 37.77 Favored 'General case' 0 C--N 1.373 1.6 0 N-CA-C 116.228 1.936 . . . . 2.54 116.228 -179.664 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.489 0.0 OUTLIER -86.0 13.05 8.16 Favored 'General case' 0 C--N 1.378 1.81 0 N-CA-C 115.282 1.586 . . . . 1.8899999999999999 115.282 169.85 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -84.75 -40.29 17.45 Favored 'General case' 0 C--N 1.381 1.975 0 N-CA-C 115.656 1.725 . . . . 0.82999999999999996 115.656 152.635 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 26.4 mmt-85 -82.46 -32.59 28.84 Favored 'General case' 0 C--N 1.367 1.359 0 CA-C-N 120.288 1.404 . . . . 4.5700000000000003 114.48 -170.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -96.95 -7.69 32.54 Favored 'General case' 0 C--N 1.367 1.35 0 C-N-CA 124.884 1.274 . . . . 2.5299999999999998 112.428 -179.277 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -168.42 152.79 6.05 Favored 'General case' 0 C--N 1.363 1.164 0 N-CA-C 105.541 -2.022 . . . . 2.04 105.541 -176.376 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 89.5 mtt-85 -104.21 -33.09 8.82 Favored 'General case' 0 C--N 1.361 1.072 0 C-N-CA 124.73 1.212 . . . . 4.25 108.87 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 33.6 p90 -105.87 137.89 42.99 Favored 'General case' 0 N--CA 1.441 -0.921 0 C-N-CA 127.701 2.401 . . . . 5.9000000000000004 108.281 176.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.429 HD13 ' N ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -149.81 112.76 4.84 Favored 'General case' 0 CA--C 1.502 -0.903 1 N-CA-C 98.793 -4.521 . . . . 1.23 98.793 -173.562 . . . . . . . . 4 4 . 1 . 012 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 27.3 p -91.57 170.65 9.76 Favored 'General case' 0 C--N 1.372 1.551 0 C-N-CA 126.81 2.044 . . . . 2.04 108.574 -163.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.91 -37.77 44.57 Favored Pre-proline 0 C--N 1.366 1.298 0 N-CA-C 119.466 3.136 . . . . 1.23 119.466 -172.308 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_exo -68.9 -18.93 40.94 Favored 'Trans proline' 0 C--N 1.361 1.226 0 C-N-CA 124.607 3.538 . . . . 1.03 115.844 170.858 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -110.81 -25.63 9.78 Favored 'General case' 0 C--N 1.362 1.151 0 C-N-CA 126.584 1.954 . . . . 1.7 115.72 177.772 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 38.0 ttm180 -79.85 -41.45 26.29 Favored 'General case' 0 C--N 1.372 1.579 0 C-N-CA 128.546 2.738 . . . . 3.04 110.417 178.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -84.35 -22.66 30.48 Favored 'General case' 0 C--N 1.371 1.535 0 C-N-CA 126.064 1.746 . . . . 1.74 112.412 -177.221 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 47.5 t-80 -85.06 -22.66 28.88 Favored 'General case' 0 C--N 1.365 1.27 0 C-N-CA 127.905 2.482 . . . . 2.0099999999999998 111.194 177.547 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.451 HD21 ' HB3' ' A' ' 23' ' ' GLU . 3.1 tm? -70.55 -37.71 74.07 Favored 'General case' 0 C--N 1.366 1.304 0 C-N-CA 129.277 3.031 . . . . 1.1899999999999999 112.092 168.433 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -77.22 -27.41 53.43 Favored 'General case' 0 C--N 1.362 1.137 0 C-N-CA 128.089 2.556 . . . . 1.0700000000000001 113.746 176.344 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 60.0 m -85.23 -30.93 23.45 Favored 'General case' 0 C--N 1.36 1.057 0 C-N-CA 125.454 1.502 . . . . 1.03 113.893 175.87 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 39.8 tp -78.77 -33.61 46.25 Favored 'General case' 0 C--N 1.362 1.15 0 C-N-CA 126.926 2.09 . . . . 2.3500000000000001 112.271 179.171 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -100.3 -21.41 5.13 Favored 'Isoleucine or valine' 0 C--N 1.367 1.353 0 C-N-CA 124.335 1.054 . . . . 1.0700000000000001 111.173 -176.666 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 21.1 tpt180 91.5 60.43 0.0 OUTLIER 'General case' 0 C--N 1.373 1.597 0 C-N-CA 129.25 3.02 . . . . 3.6099999999999999 113.961 163.569 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 73.2 mt -131.41 -164.9 1.5 Allowed 'General case' 0 C--N 1.362 1.131 0 C-N-CA 124.103 0.961 . . . . 1.1200000000000001 109.983 178.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 70.2 p -99.16 147.17 32.9 Favored Pre-proline 0 C--N 1.369 1.429 0 C-N-CA 127.449 2.3 . . . . 1.3600000000000001 108.906 174.579 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -60.99 -18.85 60.08 Favored 'Trans proline' 0 C--N 1.365 1.397 1 C-N-CA 126.21 4.607 . . . . 1.0 116.897 170.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.8 t -88.34 -28.83 20.75 Favored 'General case' 0 C--N 1.365 1.24 0 C-N-CA 127.036 2.135 . . . . 1.1299999999999999 111.29 -177.242 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -84.56 -31.51 24.34 Favored 'General case' 0 C--N 1.373 1.592 0 CA-C-N 119.938 1.245 . . . . 1.04 112.363 177.584 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.7 p -67.03 -41.77 87.71 Favored 'Isoleucine or valine' 0 C--N 1.383 2.055 0 C-N-CA 124.348 1.059 . . . . 1.0700000000000001 112.52 168.42 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.14 -49.12 72.6 Favored 'General case' 0 C--N 1.368 1.408 0 C-N-CA 126.876 2.07 . . . . 1.54 115.868 172.678 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.303 6.5 mt -86.88 -7.19 10.89 Favored 'Isoleucine or valine' 0 C--N 1.367 1.361 0 N-CA-C 115.496 1.665 . . . . 1.3200000000000001 115.496 -178.278 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 50.7 t90 -73.94 -41.86 61.42 Favored 'General case' 0 C--N 1.377 1.795 0 CA-C-N 119.872 1.215 . . . . 0.28000000000000003 110.884 164.278 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -82.11 -18.64 42.26 Favored 'General case' 0 C--N 1.368 1.389 0 C-N-CA 126.301 1.84 . . . . 0.46000000000000002 113.379 179.586 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -75.69 -36.67 59.97 Favored 'General case' 0 C--N 1.368 1.39 0 C-N-CA 127.5 2.32 . . . . 1.3400000000000001 112.55 177.186 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -88.01 -17.68 30.65 Favored 'General case' 0 C--N 1.363 1.187 0 C-N-CA 126.326 1.85 . . . . 0.56000000000000005 113.077 179.608 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 2.0 m80 . . . . . 0 C--N 1.365 1.269 0 C-N-CA 125.981 1.712 . . . . 2.3900000000000001 114.439 -175.1 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.0 m . . . . . 0 N--CA 1.465 0.316 0 N-CA-C 110.764 -0.087 . . . . 1.3100000000000001 110.764 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.8 3.27 14.67 Favored 'General case' 0 C--N 1.37 1.458 0 C-N-CA 127.369 2.268 . . . . 3.73 116.604 -167.683 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.2 -49.08 8.51 Favored 'General case' 0 C--N 1.362 1.11 0 C-N-CA 126.362 1.865 . . . . 1.1299999999999999 111.723 162.43 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 52.1 mm-40 -75.96 -44.18 41.14 Favored 'General case' 0 C--N 1.367 1.348 0 C-N-CA 128.281 2.632 . . . . 0.85999999999999999 112.653 -170.146 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 60.0 p -75.18 -29.01 60.27 Favored 'General case' 0 C--N 1.37 1.489 0 C-N-CA 127.416 2.286 . . . . 1.1200000000000001 112.021 -178.834 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -66.14 -49.87 65.95 Favored 'General case' 0 C--N 1.368 1.403 0 C-N-CA 128.338 2.655 . . . . 1.22 112.374 176.472 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 -72.92 -36.84 67.34 Favored 'General case' 0 C--N 1.362 1.15 0 N-CA-C 115.37 1.618 . . . . 1.0600000000000001 115.37 -177.849 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 96.3 mt -70.47 -41.8 72.27 Favored 'General case' 0 C--N 1.362 1.131 0 C-N-CA 125.545 1.538 . . . . 1.05 114.916 178.397 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -71.57 -32.59 68.26 Favored 'General case' 0 C--N 1.363 1.178 0 C-N-CA 125.998 1.719 . . . . 1.6599999999999999 115.054 174.748 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.9 ptm180 -75.78 -41.16 53.73 Favored 'General case' 0 C--N 1.373 1.609 0 N-CA-C 114.706 1.373 . . . . 2.54 114.706 -177.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.515 1.7 ptm180 -86.31 5.41 34.71 Favored 'General case' 0 C--N 1.368 1.371 0 N-CA-C 115.426 1.639 . . . . 1.8899999999999999 115.426 170.765 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -82.5 -38.68 23.52 Favored 'General case' 0 C--N 1.376 1.741 0 C-N-CA 126.258 1.823 . . . . 0.82999999999999996 114.568 155.409 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 35.0 mmt-85 -78.33 -38.24 42.63 Favored 'General case' 0 C--N 1.369 1.425 0 C-N-CA 125.785 1.634 . . . . 4.5700000000000003 113.288 -174.749 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 66.9 tp60 -90.09 -25.0 20.98 Favored 'General case' 0 N--CA 1.434 -1.245 0 C-N-CA 127.758 2.423 . . . . 2.5299999999999998 112.439 -174.093 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -157.39 152.08 25.4 Favored 'General case' 0 C--N 1.365 1.259 0 N-CA-C 108.235 -1.024 . . . . 2.04 108.235 -173.058 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 78.5 mtt-85 -105.82 -37.24 6.76 Favored 'General case' 0 C--N 1.36 1.054 0 C-N-CA 126.509 1.924 . . . . 4.25 112.704 -179.355 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -86.41 -20.2 28.55 Favored 'General case' 0 C--N 1.36 1.04 0 C-N-CA 128.374 2.67 . . . . 5.9000000000000004 115.627 -144.01 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . 0.384 0.0 OUTLIER -33.92 104.21 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.823 1 C-N-CA 132.743 4.417 . . . . 1.23 115.667 -167.961 . . . . . . . . 4 3 . 1 . 013 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 27.5 p -94.01 169.49 10.23 Favored 'General case' 0 C--N 1.366 1.284 0 C-N-CA 128.923 2.889 . . . . 2.04 109.225 -167.488 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -46.78 -36.2 6.57 Favored Pre-proline 0 C--N 1.367 1.352 0 N-CA-C 120.745 3.609 . . . . 1.23 120.745 -173.579 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -67.1 -30.57 38.28 Favored 'Trans proline' 0 C--N 1.359 1.098 0 C-N-CA 124.283 3.322 . . . . 1.03 115.138 173.208 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -104.54 -22.07 13.33 Favored 'General case' 0 C--N 1.363 1.177 0 C-N-CA 126.421 1.888 . . . . 1.7 114.925 178.557 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 58.1 ttp85 -80.79 -37.08 30.87 Favored 'General case' 0 C--N 1.375 1.703 0 C-N-CA 126.791 2.036 . . . . 3.04 110.926 179.783 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -82.52 -21.56 35.37 Favored 'General case' 0 C--N 1.373 1.623 0 C-N-CA 126.165 1.786 . . . . 1.74 112.787 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 45.0 t-80 -81.58 -25.35 35.84 Favored 'General case' 0 C--N 1.364 1.236 0 C-N-CA 128.183 2.593 . . . . 2.0099999999999998 111.108 176.648 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -71.75 -36.83 70.55 Favored 'General case' 0 C--N 1.367 1.369 0 C-N-CA 128.827 2.851 . . . . 1.1899999999999999 112.636 169.294 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -77.35 -26.53 52.08 Favored 'General case' 0 C--N 1.362 1.142 0 C-N-CA 127.566 2.346 . . . . 1.0700000000000001 113.628 178.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 64.2 m -85.15 -28.69 25.35 Favored 'General case' 0 C--N 1.361 1.077 0 C-N-CA 126.155 1.782 . . . . 1.03 113.227 173.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 45.4 tp -77.4 -35.93 53.84 Favored 'General case' 0 C--N 1.363 1.195 0 C-N-CA 127.261 2.224 . . . . 2.3500000000000001 112.496 177.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.4 pt -101.45 -21.64 5.05 Favored 'Isoleucine or valine' 0 C--N 1.367 1.343 0 C-N-CA 124.327 1.051 . . . . 1.0700000000000001 111.476 -175.483 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 23.8 tpt180 83.2 66.15 0.02 OUTLIER 'General case' 0 C--N 1.372 1.553 0 C-N-CA 128.875 2.87 . . . . 3.6099999999999999 113.954 172.712 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 76.1 mt -136.0 -173.06 3.28 Favored 'General case' 0 C--N 1.36 1.041 0 N-CA-C 108.161 -1.052 . . . . 1.1200000000000001 108.161 172.577 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 61.9 p -90.21 146.25 34.42 Favored Pre-proline 0 C--N 1.372 1.549 0 C-N-CA 126.584 1.953 . . . . 1.3600000000000001 109.428 178.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -58.31 -22.39 57.51 Favored 'Trans proline' 0 C--N 1.363 1.311 1 C-N-CA 126.384 4.722 . . . . 1.0 117.341 171.097 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.8 t -89.32 -28.27 19.96 Favored 'General case' 0 C--N 1.366 1.287 0 C-N-CA 125.553 1.541 . . . . 1.1299999999999999 111.354 -176.044 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -82.37 -31.7 29.61 Favored 'General case' 0 C--N 1.372 1.583 0 CA-C-N 119.662 1.119 . . . . 1.04 112.231 177.724 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.1 p -70.69 -42.88 77.81 Favored 'Isoleucine or valine' 0 C--N 1.378 1.839 0 C-N-CA 124.775 1.23 . . . . 1.0700000000000001 113.167 171.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -55.92 -49.73 72.66 Favored 'General case' 0 C--N 1.377 1.793 0 C-N-CA 127.613 2.365 . . . . 1.54 114.53 174.06 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.273 7.4 mt -88.52 -6.4 10.74 Favored 'Isoleucine or valine' 0 C--N 1.363 1.168 0 N-CA-C 114.378 1.251 . . . . 1.3200000000000001 114.378 -176.905 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 33.2 t90 -75.37 -42.14 54.72 Favored 'General case' 0 C--N 1.381 1.955 0 C-N-CA 125.685 1.594 . . . . 0.28000000000000003 110.821 167.22 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -82.35 -14.09 55.86 Favored 'General case' 0 C--N 1.368 1.409 0 C-N-CA 126.812 2.045 . . . . 0.46000000000000002 113.398 -179.024 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -76.98 -43.14 36.11 Favored 'General case' 0 C--N 1.36 1.061 0 C-N-CA 127.635 2.374 . . . . 1.3400000000000001 111.85 171.881 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 -94.58 -15.82 23.75 Favored 'General case' 0 C--N 1.362 1.136 0 C-N-CA 126.629 1.972 . . . . 0.56000000000000005 114.151 -168.166 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 9.0 m80 . . . . . 0 C--N 1.362 1.149 0 C-N-CA 126.07 1.748 . . . . 2.3900000000000001 113.629 172.805 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 29.3 m . . . . . 0 CA--C 1.516 -0.362 0 N-CA-C 108.458 -0.942 . . . . 1.3100000000000001 108.458 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 68.1 mttt -83.38 15.98 2.75 Favored 'General case' 0 C--N 1.372 1.549 0 C-N-CA 126.543 1.937 . . . . 3.73 115.809 -163.647 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.47 -51.11 6.75 Favored 'General case' 0 C--N 1.361 1.09 0 C-N-CA 125.982 1.713 . . . . 1.1299999999999999 111.94 153.609 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 39.2 mm-40 -79.41 -49.67 11.99 Favored 'General case' 0 C--N 1.368 1.405 0 C-N-CA 128.734 2.814 . . . . 0.85999999999999999 111.926 -167.72 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 79.7 p -64.14 -36.68 84.82 Favored 'General case' 0 C--N 1.375 1.71 0 C-N-CA 128.301 2.64 . . . . 1.1200000000000001 112.295 177.297 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 53.1 t80 -59.84 -59.08 6.01 Favored 'General case' 0 C--N 1.369 1.452 0 C-N-CA 129.02 2.928 . . . . 1.22 112.804 177.517 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -68.11 -34.27 76.08 Favored 'General case' 0 C--N 1.368 1.383 0 N-CA-C 115.404 1.631 . . . . 1.0600000000000001 115.404 -175.714 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 97.7 mt -67.85 -37.74 82.25 Favored 'General case' 0 C--N 1.363 1.186 0 C-N-CA 127.026 2.131 . . . . 1.05 115.868 175.302 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -76.53 -27.42 55.95 Favored 'General case' 0 C--N 1.359 1.007 0 C-N-CA 126.57 1.948 . . . . 1.6599999999999999 114.404 177.08 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.7 mtm180 -71.56 -43.58 66.07 Favored 'General case' 0 C--N 1.372 1.576 0 C-N-CA 123.985 0.914 . . . . 2.54 112.247 175.423 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.314 26.8 mmm-85 -71.53 -22.94 61.71 Favored 'General case' 0 C--N 1.383 2.042 0 N-CA-C 112.568 0.581 . . . . 1.8899999999999999 112.568 176.619 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 31.0 t80 -70.23 -28.93 65.65 Favored 'General case' 0 C--N 1.376 1.747 0 C-N-CA 128.09 2.556 . . . . 0.82999999999999996 113.991 171.521 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 35.5 mmt-85 -79.89 -21.19 44.29 Favored 'General case' 0 C--N 1.367 1.367 0 C-N-CA 124.956 1.302 . . . . 4.5700000000000003 113.409 178.489 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 64.4 tp60 -93.12 -30.66 15.14 Favored 'General case' 0 N--CA 1.429 -1.5 0 C-N-CA 127.57 2.348 . . . . 2.5299999999999998 112.04 176.317 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -172.58 -179.06 2.08 Favored 'General case' 0 C--N 1.372 1.573 0 CA-C-O 123.085 1.421 . . . . 2.04 109.755 -175.135 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -106.37 -53.56 2.61 Favored 'General case' 0 N--CA 1.438 -1.045 0 C-N-CA 128.838 2.855 . . . . 4.25 109.73 -171.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -121.68 141.02 51.56 Favored 'General case' 0 CA--C 1.498 -1.034 0 C-N-CA 127.353 2.261 . . . . 5.9000000000000004 106.862 -175.653 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -140.58 124.14 16.99 Favored 'General case' 0 N--CA 1.437 -1.083 0 N-CA-C 102.846 -3.02 . . . . 1.23 102.846 -168.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 9.2 m -82.47 160.27 22.72 Favored 'General case' 0 C--N 1.366 1.301 0 C-N-CA 127.248 2.219 . . . . 2.04 111.566 -173.364 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.65 -36.39 12.33 Favored Pre-proline 0 C--N 1.367 1.357 0 N-CA-C 120.965 3.691 . . . . 1.23 120.965 -168.699 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_exo -67.76 -28.19 37.06 Favored 'Trans proline' 0 C--N 1.36 1.14 0 C-N-CA 124.147 3.232 . . . . 1.03 114.986 175.814 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.28 0.9 OUTLIER -105.19 -21.55 13.24 Favored 'General case' 0 C--N 1.361 1.077 0 C-N-CA 126.797 2.039 . . . . 1.7 115.042 177.314 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 42.3 ttp180 -77.01 -41.62 41.99 Favored 'General case' 0 C--N 1.375 1.706 0 C-N-CA 126.849 2.06 . . . . 3.04 112.753 177.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -81.85 -20.79 38.24 Favored 'General case' 0 C--N 1.363 1.176 0 C-N-CA 126.982 2.113 . . . . 1.74 112.274 -177.709 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 45.2 t-80 -81.74 -27.84 33.65 Favored 'General case' 0 C--N 1.365 1.277 0 C-N-CA 128.498 2.719 . . . . 2.0099999999999998 111.705 176.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -64.01 -53.47 49.55 Favored 'General case' 0 C--N 1.371 1.526 0 C-N-CA 129.016 2.926 . . . . 1.1899999999999999 111.49 170.674 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.31 -28.61 69.83 Favored 'General case' 0 C--N 1.356 0.878 0 C-N-CA 130.232 3.413 . . . . 1.0700000000000001 116.487 176.46 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 74.6 m -83.87 -26.99 28.98 Favored 'General case' 0 C--N 1.361 1.073 0 C-N-CA 125.737 1.615 . . . . 1.03 112.964 174.787 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 33.0 tp -78.41 -35.54 46.94 Favored 'General case' 0 C--N 1.361 1.085 0 C-N-CA 126.948 2.099 . . . . 2.3500000000000001 112.966 175.194 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.2 pt -106.26 -1.71 9.94 Favored 'Isoleucine or valine' 0 C--N 1.368 1.387 0 C-N-CA 125.087 1.355 . . . . 1.0700000000000001 112.258 -174.263 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 81.07 42.13 0.05 OUTLIER 'General case' 0 C--N 1.371 1.533 0 C-N-CA 128.991 2.917 . . . . 3.6099999999999999 115.675 162.089 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 96.8 mt -124.36 -172.4 2.54 Favored 'General case' 0 C--N 1.357 0.909 0 O-C-N 121.31 -0.869 . . . . 1.1200000000000001 109.953 -175.644 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.405 HG22 ' H ' ' A' ' 51' ' ' THR . 68.9 p -95.75 147.47 33.05 Favored Pre-proline 0 C--N 1.365 1.262 0 C-N-CA 127.624 2.37 . . . . 1.3600000000000001 108.633 179.447 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_exo -58.64 -23.53 66.02 Favored 'Trans proline' 0 C--N 1.363 1.295 1 C-N-CA 126.462 4.775 . . . . 1.0 117.104 170.869 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.405 ' H ' HG22 ' A' ' 49' ' ' THR . 12.2 t -89.43 -30.17 18.52 Favored 'General case' 0 C--N 1.365 1.266 0 C-N-CA 125.898 1.679 . . . . 1.1299999999999999 111.343 -175.355 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -79.35 -34.4 42.16 Favored 'General case' 0 C--N 1.375 1.682 0 CA-C-N 119.727 1.149 . . . . 1.04 111.968 178.048 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 11.5 p -67.37 -46.21 84.14 Favored 'Isoleucine or valine' 0 C--N 1.381 1.952 0 C-N-CA 125.293 1.437 . . . . 1.0700000000000001 113.157 172.426 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.08 -43.76 95.26 Favored 'General case' 0 C--N 1.375 1.679 0 C-N-CA 126.02 1.728 . . . . 1.54 115.084 177.815 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.273 9.0 mt -85.05 -6.21 10.23 Favored 'Isoleucine or valine' 0 C--N 1.368 1.393 0 N-CA-C 114.941 1.46 . . . . 1.3200000000000001 114.941 177.081 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 47.1 t90 -71.74 -41.98 67.82 Favored 'General case' 0 C--N 1.381 1.949 0 C-N-CA 125.283 1.433 . . . . 0.28000000000000003 110.777 164.44 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -81.49 -17.12 49.74 Favored 'General case' 0 C--N 1.369 1.453 0 C-N-CA 126.273 1.829 . . . . 0.46000000000000002 114.272 -179.675 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -77.33 -37.03 53.32 Favored 'General case' 0 C--N 1.362 1.14 0 C-N-CA 127.278 2.231 . . . . 1.3400000000000001 111.648 174.728 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 64.0 m-20 -90.7 -21.58 21.55 Favored 'General case' 0 C--N 1.364 1.213 0 C-N-CA 126.438 1.895 . . . . 0.56000000000000005 113.458 -176.212 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 . . . . . 0 C--N 1.367 1.334 0 C-N-CA 125.767 1.627 . . . . 2.3900000000000001 114.926 -175.7 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 17.1 m . . . . . 0 N--CA 1.464 0.24 0 N-CA-C 109.168 -0.679 . . . . 1.3100000000000001 109.168 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 50.8 pttt -78.48 -0.62 30.14 Favored 'General case' 0 C--N 1.367 1.364 0 C-N-CA 126.928 2.091 . . . . 3.73 116.148 -170.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.95 -43.32 14.13 Favored 'General case' 0 C--N 1.363 1.163 0 C-N-CA 126.596 1.959 . . . . 1.1299999999999999 112.133 165.639 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 49.7 mm-40 -73.42 -48.35 34.51 Favored 'General case' 0 C--N 1.367 1.338 0 C-N-CA 129.144 2.978 . . . . 0.85999999999999999 113.07 -174.41 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 69.5 p -72.16 -30.88 65.43 Favored 'General case' 0 C--N 1.372 1.544 0 C-N-CA 127.781 2.432 . . . . 1.1200000000000001 111.93 -178.286 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -60.78 -59.27 5.65 Favored 'General case' 0 C--N 1.373 1.604 0 C-N-CA 128.694 2.798 . . . . 1.22 112.227 173.105 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -67.93 -35.37 78.31 Favored 'General case' 0 C--N 1.368 1.372 0 C-N-CA 126.37 1.868 . . . . 1.0600000000000001 114.861 -174.002 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 89.9 mt -69.99 -43.34 71.65 Favored 'General case' 0 C--N 1.363 1.157 0 C-N-CA 125.906 1.682 . . . . 1.05 114.452 177.539 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -71.32 -32.41 68.56 Favored 'General case' 0 C--N 1.364 1.213 0 N-CA-C 115.785 1.772 . . . . 1.6599999999999999 115.785 174.072 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . 0.26 0.0 OUTLIER -78.66 -37.18 42.55 Favored 'General case' 0 C--N 1.371 1.517 0 C-N-CA 124.814 1.245 . . . . 2.54 114.073 -174.267 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.541 3.3 ptm180 -86.28 5.21 35.55 Favored 'General case' 0 C--N 1.365 1.277 0 N-CA-C 117.188 2.292 . . . . 1.8899999999999999 117.188 164.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 23.4 t80 -83.89 -40.52 18.51 Favored 'General case' 0 C--N 1.372 1.569 0 CA-C-N 120.128 1.331 . . . . 0.82999999999999996 114.467 154.403 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 13.4 mmt85 -75.95 -33.4 59.81 Favored 'General case' 0 C--N 1.368 1.407 0 C-N-CA 126.932 2.093 . . . . 4.5700000000000003 113.318 -174.104 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 65.3 tp60 -90.9 -26.5 19.3 Favored 'General case' 0 N--CA 1.433 -1.309 0 C-N-CA 127.742 2.417 . . . . 2.5299999999999998 112.246 -176.837 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -162.11 150.39 14.84 Favored 'General case' 0 C--N 1.366 1.306 0 N-CA-C 108.544 -0.91 . . . . 2.04 108.544 -169.78 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 84.0 mtt-85 -106.04 -37.63 6.56 Favored 'General case' 0 C--N 1.359 0.993 0 C-N-CA 126.656 1.983 . . . . 4.25 112.775 -178.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 2.5 p90 -82.39 -17.06 46.82 Favored 'General case' 0 C--N 1.359 0.993 0 C-N-CA 128.795 2.838 . . . . 5.9000000000000004 117.891 -150.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . 0.391 0.0 OUTLIER -34.32 103.95 0.03 OUTLIER 'General case' 0 N--CA 1.501 2.122 1 C-N-CA 132.767 4.427 . . . . 1.23 115.137 -178.247 . . . . . . . . 4 3 . 1 . 015 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 25.4 p -109.79 170.59 7.97 Favored 'General case' 0 C--N 1.363 1.167 0 C-N-CA 127.956 2.502 . . . . 2.04 107.497 -167.596 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . 0.256 . . -37.06 -41.46 0.75 Allowed Pre-proline 0 C--N 1.368 1.396 1 N-CA-C 122.077 4.103 . . . . 1.23 122.077 -169.567 . . . . . . . . 3 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -67.81 -29.27 35.52 Favored 'Trans proline' 0 C--N 1.36 1.134 0 C-N-CA 124.258 3.305 . . . . 1.03 115.081 175.486 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -105.45 -26.82 11.77 Favored 'General case' 0 C--N 1.361 1.068 0 C-N-CA 126.952 2.101 . . . . 1.7 114.965 178.485 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 44.4 ttp180 -76.51 -39.8 51.98 Favored 'General case' 0 C--N 1.374 1.649 0 C-N-CA 127.476 2.311 . . . . 3.04 112.447 179.54 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -85.08 -20.09 30.91 Favored 'General case' 0 C--N 1.367 1.337 0 C-N-CA 124.879 1.271 . . . . 1.74 112.209 -178.413 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 46.2 t-80 -78.11 -24.33 47.53 Favored 'General case' 0 C--N 1.369 1.442 0 C-N-CA 128.177 2.591 . . . . 2.0099999999999998 112.281 173.809 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.69 -51.21 66.08 Favored 'General case' 0 C--N 1.371 1.517 0 C-N-CA 129.095 2.958 . . . . 1.1899999999999999 112.234 168.446 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.48 -31.29 71.26 Favored 'General case' 0 C--N 1.358 0.943 0 C-N-CA 128.575 2.75 . . . . 1.0700000000000001 115.875 175.021 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 46.1 m -81.84 -28.95 32.8 Favored 'General case' 0 C--N 1.362 1.141 0 C-N-CA 125.517 1.527 . . . . 1.03 114.086 174.502 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -79.31 -36.46 39.56 Favored 'General case' 0 C--N 1.362 1.117 0 C-N-CA 127.719 2.407 . . . . 2.3500000000000001 112.01 179.43 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.8 pt -99.8 -12.51 8.41 Favored 'Isoleucine or valine' 0 C--N 1.367 1.328 0 C-N-CA 125.175 1.39 . . . . 1.0700000000000001 111.684 -175.253 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 15.1 tpp180 84.73 43.59 0.02 OUTLIER 'General case' 0 C--N 1.373 1.609 0 C-N-CA 128.498 2.719 . . . . 3.6099999999999999 113.657 165.273 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 77.7 mt -125.16 -173.31 2.78 Favored 'General case' 0 C--N 1.359 0.997 0 C-N-CA 125.076 1.351 . . . . 1.1200000000000001 108.542 178.299 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.4 HG22 ' H ' ' A' ' 51' ' ' THR . 70.2 p -89.59 143.01 29.87 Favored Pre-proline 0 C--N 1.366 1.294 0 C-N-CA 126.889 2.076 . . . . 1.3600000000000001 109.949 -178.413 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_exo -60.25 -20.73 63.67 Favored 'Trans proline' 0 C--N 1.362 1.288 1 C-N-CA 126.231 4.621 . . . . 1.0 116.419 171.456 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.4 ' H ' HG22 ' A' ' 49' ' ' THR . 13.8 t -86.65 -27.44 23.8 Favored 'General case' 0 C--N 1.366 1.293 0 C-N-CA 127.198 2.199 . . . . 1.1299999999999999 111.115 -178.537 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -84.17 -33.65 24.16 Favored 'General case' 0 C--N 1.374 1.633 0 CA-C-N 119.656 1.116 . . . . 1.04 112.785 179.17 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.3 p -66.64 -38.97 82.7 Favored 'Isoleucine or valine' 0 C--N 1.378 1.823 0 C-N-CA 125.192 1.397 . . . . 1.0700000000000001 112.928 168.156 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.2 mmmt -54.11 -51.62 63.61 Favored 'General case' 0 C--N 1.371 1.527 0 C-N-CA 127.263 2.225 . . . . 1.54 115.936 171.261 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.266 6.8 mt -85.96 -8.72 11.17 Favored 'Isoleucine or valine' 0 C--N 1.367 1.342 0 N-CA-C 114.958 1.466 . . . . 1.3200000000000001 114.958 -178.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 39.2 t90 -76.98 -41.88 41.17 Favored 'General case' 0 C--N 1.377 1.782 0 C-N-CA 125.643 1.577 . . . . 0.28000000000000003 110.625 170.604 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -81.67 -15.26 55.07 Favored 'General case' 0 C--N 1.367 1.339 0 C-N-CA 126.492 1.917 . . . . 0.46000000000000002 112.836 179.246 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -76.85 -40.06 49.07 Favored 'General case' 0 C--N 1.366 1.302 0 C-N-CA 127.806 2.442 . . . . 1.3400000000000001 112.585 172.262 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 70.7 m-20 -87.74 -15.08 38.01 Favored 'General case' 0 C--N 1.365 1.258 0 C-N-CA 126.551 1.941 . . . . 0.56000000000000005 112.796 -176.026 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 20.1 m80 . . . . . 0 C--N 1.363 1.163 0 C-N-CA 126.178 1.791 . . . . 2.3900000000000001 114.274 172.42 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 16.9 m . . . . . 0 CA--C 1.517 -0.318 0 N-CA-C 108.969 -0.752 . . . . 1.3100000000000001 108.969 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.88 0.85 19.38 Favored 'General case' 0 C--N 1.368 1.38 0 N-CA-C 117.061 2.245 . . . . 3.73 117.061 -166.355 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.1 -47.17 10.44 Favored 'General case' 0 C--N 1.36 1.042 0 C-N-CA 126.141 1.776 . . . . 1.1299999999999999 111.648 163.715 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 42.8 mm-40 -78.48 -43.18 27.67 Favored 'General case' 0 C--N 1.368 1.412 0 C-N-CA 127.679 2.391 . . . . 0.85999999999999999 111.952 -170.698 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 54.1 p -70.56 -32.39 69.79 Favored 'General case' 0 C--N 1.374 1.666 0 C-N-CA 126.965 2.106 . . . . 1.1200000000000001 112.792 177.059 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -64.74 -49.63 70.06 Favored 'General case' 0 C--N 1.369 1.437 0 C-N-CA 127.789 2.436 . . . . 1.22 112.672 177.077 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -73.99 -35.59 64.45 Favored 'General case' 0 C--N 1.363 1.193 0 N-CA-C 115.482 1.66 . . . . 1.0600000000000001 115.482 -177.099 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 87.5 mt -69.77 -43.35 72.37 Favored 'General case' 0 C--N 1.364 1.214 0 C-N-CA 126.289 1.835 . . . . 1.05 114.566 177.791 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -69.42 -32.68 71.81 Favored 'General case' 0 C--N 1.363 1.179 0 C-N-CA 125.961 1.704 . . . . 1.6599999999999999 114.77 174.094 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.6 ptm180 -80.14 -25.23 39.96 Favored 'General case' 0 C--N 1.372 1.571 0 N-CA-C 115.499 1.666 . . . . 2.54 115.499 -177.383 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.261 40.5 mmm-85 -74.75 -29.72 61.24 Favored 'General case' 0 C--N 1.368 1.404 0 CA-C-O 118.325 -0.845 . . . . 1.8899999999999999 112.358 164.699 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -66.35 -40.08 89.6 Favored 'General case' 0 C--N 1.379 1.87 0 C-N-CA 126.48 1.912 . . . . 0.82999999999999996 113.655 -178.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.39 -16.05 61.85 Favored 'General case' 0 C--N 1.367 1.359 0 C-N-CA 126.614 1.966 . . . . 4.5700000000000003 114.404 177.777 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 59.7 mm-40 -98.35 -32.69 11.39 Favored 'General case' 0 C--N 1.366 1.312 0 C-N-CA 126.099 1.76 . . . . 2.5299999999999998 113.118 175.483 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -166.67 150.44 7.1 Favored 'General case' 0 C--N 1.367 1.347 0 N-CA-C 105.93 -1.878 . . . . 2.04 105.93 -170.021 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 74.2 mmt-85 -100.13 -34.11 10.18 Favored 'General case' 0 C--N 1.359 1.013 0 C-N-CA 125.042 1.337 . . . . 4.25 109.902 -174.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 49.3 m-85 -122.5 140.35 52.85 Favored 'General case' 0 C--N 1.357 0.931 0 C-N-CA 126.395 1.878 . . . . 5.9000000000000004 106.716 177.703 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -144.93 121.35 10.98 Favored 'General case' 0 CA--C 1.501 -0.937 0 N-CA-C 102.634 -3.098 . . . . 1.23 102.634 -171.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 28.8 p -89.64 165.37 14.27 Favored 'General case' 0 C--N 1.366 1.309 0 C-N-CA 127.443 2.297 . . . . 2.04 110.361 -170.694 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.09 -35.8 9.09 Favored Pre-proline 0 C--N 1.366 1.317 0 N-CA-C 120.785 3.624 . . . . 1.23 120.785 -170.258 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_exo -67.45 -31.37 34.45 Favored 'Trans proline' 0 C--N 1.36 1.158 0 C-N-CA 124.279 3.319 . . . . 1.03 115.025 174.63 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -102.83 -20.58 14.25 Favored 'General case' 0 C--N 1.362 1.121 0 C-N-CA 126.482 1.913 . . . . 1.7 114.66 177.442 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 42.5 ttp180 -80.11 -42.0 24.41 Favored 'General case' 0 C--N 1.374 1.667 0 C-N-CA 126.481 1.912 . . . . 3.04 111.72 -179.176 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -80.41 -20.73 43.29 Favored 'General case' 0 C--N 1.367 1.368 0 C-N-CA 126.995 2.118 . . . . 1.74 112.083 -178.42 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 47.2 t-80 -80.6 -28.3 37.13 Favored 'General case' 0 C--N 1.367 1.33 0 C-N-CA 128.139 2.576 . . . . 2.0099999999999998 111.661 175.533 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -74.89 -30.74 61.39 Favored 'General case' 0 C--N 1.368 1.395 0 C-N-CA 128.226 2.61 . . . . 1.1899999999999999 112.149 172.844 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.21 -26.39 35.96 Favored 'General case' 0 C--N 1.364 1.238 0 C-N-CA 127.738 2.415 . . . . 1.0700000000000001 113.011 176.559 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 68.5 m -85.14 -27.42 26.22 Favored 'General case' 0 C--N 1.36 1.052 0 C-N-CA 125.848 1.659 . . . . 1.03 113.063 174.247 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -75.65 -38.67 58.64 Favored 'General case' 0 C--N 1.363 1.177 0 C-N-CA 127.909 2.484 . . . . 2.3500000000000001 112.112 177.455 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.4 pt -103.95 -17.75 7.09 Favored 'Isoleucine or valine' 0 C--N 1.367 1.356 0 C-N-CA 123.888 0.875 . . . . 1.0700000000000001 112.0 -175.044 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 21.3 tpt180 88.18 63.05 0.01 OUTLIER 'General case' 0 C--N 1.371 1.541 0 C-N-CA 129.263 3.025 . . . . 3.6099999999999999 114.375 167.18 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 95.8 mt -135.11 -170.5 2.59 Favored 'General case' 0 C--N 1.363 1.154 0 C-N-CA 124.319 1.047 . . . . 1.1200000000000001 109.811 178.278 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 71.5 p -96.37 147.39 32.88 Favored Pre-proline 0 C--N 1.37 1.487 0 C-N-CA 127.642 2.377 . . . . 1.3600000000000001 108.864 177.09 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -59.47 -19.7 53.06 Favored 'Trans proline' 0 C--N 1.365 1.419 1 C-N-CA 126.416 4.744 . . . . 1.0 117.201 171.446 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.6 t -88.86 -31.71 18.15 Favored 'General case' 0 C--N 1.365 1.253 0 C-N-CA 126.427 1.891 . . . . 1.1299999999999999 111.315 -175.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -82.57 -31.01 29.25 Favored 'General case' 0 C--N 1.372 1.563 0 CA-C-N 119.762 1.164 . . . . 1.04 112.156 178.47 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 8.2 p -68.58 -42.44 83.5 Favored 'Isoleucine or valine' 0 C--N 1.381 1.97 0 C-N-CA 124.509 1.123 . . . . 1.0700000000000001 112.538 170.148 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.75 -47.42 73.88 Favored 'General case' 0 C--N 1.37 1.47 0 C-N-CA 126.993 2.117 . . . . 1.54 116.081 172.849 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.288 5.5 mt -86.93 -8.21 11.02 Favored 'Isoleucine or valine' 0 C--N 1.367 1.338 0 N-CA-C 115.11 1.522 . . . . 1.3200000000000001 115.11 -179.839 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 44.9 t90 -72.83 -41.63 64.65 Favored 'General case' 0 C--N 1.378 1.843 0 C-N-CA 125.164 1.385 . . . . 0.28000000000000003 111.226 166.43 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -83.02 -14.43 53.96 Favored 'General case' 0 C--N 1.367 1.35 0 C-N-CA 126.115 1.766 . . . . 0.46000000000000002 113.767 -179.488 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -78.08 -38.2 44.77 Favored 'General case' 0 C--N 1.361 1.071 0 C-N-CA 127.658 2.383 . . . . 1.3400000000000001 112.303 174.104 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -89.89 -18.48 26.08 Favored 'General case' 0 C--N 1.367 1.335 0 C-N-CA 126.201 1.8 . . . . 0.56000000000000005 113.397 -177.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 10.6 m80 . . . . . 0 C--N 1.364 1.225 0 C-N-CA 126.397 1.879 . . . . 2.3900000000000001 115.192 176.64 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 21.9 m . . . . . 0 CA--C 1.52 -0.192 0 N-CA-C 108.701 -0.851 . . . . 1.3100000000000001 108.701 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.0 mtpp -85.02 7.03 22.83 Favored 'General case' 0 C--N 1.369 1.456 0 C-N-CA 127.162 2.185 . . . . 3.73 114.162 -170.062 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.26 -46.81 10.67 Favored 'General case' 0 C--N 1.362 1.117 0 C-N-CA 126.718 2.007 . . . . 1.1299999999999999 111.976 160.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 46.7 mm-40 -73.27 -49.82 25.57 Favored 'General case' 0 C--N 1.37 1.499 0 C-N-CA 128.745 2.818 . . . . 0.85999999999999999 112.892 -171.708 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 73.3 p -71.52 -28.79 64.13 Favored 'General case' 0 C--N 1.367 1.363 0 C-N-CA 127.475 2.31 . . . . 1.1200000000000001 112.639 -179.294 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 50.1 t80 -66.0 -52.07 52.67 Favored 'General case' 0 C--N 1.369 1.421 0 C-N-CA 128.428 2.691 . . . . 1.22 112.782 176.817 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -72.07 -37.35 69.65 Favored 'General case' 0 C--N 1.362 1.115 0 N-CA-C 115.321 1.6 . . . . 1.0600000000000001 115.321 -177.501 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 93.4 mt -69.53 -42.2 74.97 Favored 'General case' 0 C--N 1.363 1.193 0 C-N-CA 126.29 1.836 . . . . 1.05 114.464 179.125 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -72.71 -33.04 66.18 Favored 'General case' 0 C--N 1.363 1.161 0 C-N-CA 126.28 1.832 . . . . 1.6599999999999999 115.583 173.323 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.9 ptm180 -76.87 -28.91 55.6 Favored 'General case' 0 C--N 1.372 1.586 0 N-CA-C 114.961 1.467 . . . . 2.54 114.961 -176.481 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 17.5 mmt85 -76.32 -32.72 58.86 Favored 'General case' 0 C--N 1.367 1.356 0 C-N-CA 124.019 0.928 . . . . 1.8899999999999999 112.584 164.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 47.4 t80 -69.67 -29.41 66.85 Favored 'General case' 0 C--N 1.371 1.543 0 CA-C-N 120.41 1.459 . . . . 0.82999999999999996 114.098 -173.015 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 13.1 mmt85 -78.34 -19.38 53.6 Favored 'General case' 0 C--N 1.364 1.236 0 C-N-CA 124.629 1.171 . . . . 4.5700000000000003 113.824 174.749 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 65.0 tp60 -98.43 -29.22 13.24 Favored 'General case' 0 N--CA 1.432 -1.375 0 C-N-CA 127.811 2.444 . . . . 2.5299999999999998 112.897 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -167.56 157.4 10.5 Favored 'General case' 0 C--N 1.37 1.473 0 CA-C-N 120.153 1.342 . . . . 2.04 108.421 -165.562 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.1 mmt180 -105.95 -35.74 7.2 Favored 'General case' 0 C--N 1.373 1.597 0 C-N-CA 125.159 1.384 . . . . 4.25 108.879 172.853 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . 1.98 0.0 OUTLIER -88.57 103.44 15.9 Favored 'General case' 0 N--CA 1.432 -1.333 1 C-N-CA 133.748 4.819 . . . . 5.9000000000000004 115.488 -164.846 . . . . . . . . 4 3 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . 0.278 0.0 OUTLIER -140.69 118.26 11.57 Favored 'General case' 0 C--N 1.363 1.157 0 N-CA-C 104.272 -2.492 . . . . 1.23 104.272 179.266 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 25.8 p -89.92 169.98 10.77 Favored 'General case' 0 C--N 1.368 1.396 0 C-N-CA 128.455 2.702 . . . . 2.04 108.996 -171.458 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.39 -35.99 18.81 Favored Pre-proline 0 C--N 1.366 1.296 0 N-CA-C 120.084 3.364 . . . . 1.23 120.084 -172.819 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -67.44 -26.23 40.99 Favored 'Trans proline' 0 C--N 1.36 1.159 0 C-N-CA 124.384 3.39 . . . . 1.03 115.408 172.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -107.5 -22.91 12.37 Favored 'General case' 0 C--N 1.362 1.125 0 C-N-CA 126.296 1.838 . . . . 1.7 115.087 177.754 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 58.4 ttm-85 -80.19 -41.33 25.48 Favored 'General case' 0 C--N 1.376 1.728 0 CA-C-N 121.45 1.932 . . . . 3.04 111.151 179.283 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -81.14 -22.89 38.7 Favored 'General case' 0 C--N 1.371 1.538 0 C-N-CA 126.266 1.826 . . . . 1.74 112.193 -177.144 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 21.6 t60 -82.89 -25.88 32.06 Favored 'General case' 0 C--N 1.366 1.295 0 C-N-CA 127.881 2.473 . . . . 2.0099999999999998 111.146 177.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -76.86 -28.24 55.35 Favored 'General case' 0 C--N 1.368 1.392 0 C-N-CA 128.237 2.615 . . . . 1.1899999999999999 112.216 171.294 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -80.16 -28.82 38.75 Favored 'General case' 0 C--N 1.364 1.201 0 C-N-CA 127.168 2.187 . . . . 1.0700000000000001 112.716 176.012 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 62.7 m -85.12 -26.83 26.64 Favored 'General case' 0 C--N 1.361 1.089 0 C-N-CA 126.22 1.808 . . . . 1.03 113.562 174.694 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -75.76 -38.91 57.92 Favored 'General case' 0 C--N 1.362 1.14 0 C-N-CA 127.529 2.332 . . . . 2.3500000000000001 112.013 177.168 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.5 pt -100.97 -21.38 5.13 Favored 'Isoleucine or valine' 0 C--N 1.365 1.279 0 C-N-CA 124.13 0.972 . . . . 1.0700000000000001 112.538 -174.273 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 9.3 tpp180 84.24 66.25 0.01 OUTLIER 'General case' 0 C--N 1.372 1.569 0 C-N-CA 129.006 2.922 . . . . 3.6099999999999999 113.472 174.306 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 70.5 mt -139.62 -172.26 3.33 Favored 'General case' 0 C--N 1.359 1.013 0 N-CA-C 107.358 -1.349 . . . . 1.1200000000000001 107.358 172.787 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 69.2 p -95.67 148.18 34.18 Favored Pre-proline 0 C--N 1.368 1.388 0 C-N-CA 127.294 2.238 . . . . 1.3600000000000001 108.461 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_exo -57.83 -23.36 58.41 Favored 'Trans proline' 0 C--N 1.362 1.259 1 C-N-CA 126.565 4.843 . . . . 1.0 117.468 170.541 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.5 t -88.1 -29.11 20.86 Favored 'General case' 0 C--N 1.365 1.263 0 C-N-CA 125.789 1.635 . . . . 1.1299999999999999 111.342 -175.223 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -83.9 -33.36 24.76 Favored 'General case' 0 C--N 1.37 1.46 0 CA-C-N 119.406 1.003 . . . . 1.04 112.311 179.124 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.5 p -67.23 -41.6 86.91 Favored 'Isoleucine or valine' 0 C--N 1.38 1.897 0 C-N-CA 125.493 1.517 . . . . 1.0700000000000001 113.264 170.443 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.69 -49.02 77.9 Favored 'General case' 0 C--N 1.373 1.591 0 C-N-CA 128.538 2.735 . . . . 1.54 113.868 174.066 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.29 6.3 mt -84.78 -6.02 10.04 Favored 'Isoleucine or valine' 0 C--N 1.366 1.324 0 N-CA-C 115.007 1.484 . . . . 1.3200000000000001 115.007 179.518 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 28.2 t90 -73.54 -42.8 61.25 Favored 'General case' 0 C--N 1.378 1.82 0 C-N-CA 125.412 1.485 . . . . 0.28000000000000003 111.26 165.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -83.24 -14.48 53.14 Favored 'General case' 0 C--N 1.369 1.441 0 C-N-CA 126.222 1.809 . . . . 0.46000000000000002 113.514 -179.611 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -78.87 -38.89 36.61 Favored 'General case' 0 C--N 1.362 1.11 0 C-N-CA 127.469 2.308 . . . . 1.3400000000000001 112.487 175.242 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 65.7 m-20 -89.91 -24.84 21.22 Favored 'General case' 0 C--N 1.367 1.33 0 C-N-CA 125.923 1.689 . . . . 0.56000000000000005 113.647 -174.732 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 8.2 m80 . . . . . 0 C--N 1.364 1.239 0 C-N-CA 126.31 1.844 . . . . 2.3900000000000001 115.74 -179.49 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 27.4 m . . . . . 0 CA--C 1.522 -0.124 0 N-CA-C 107.512 -1.292 . . . . 1.3100000000000001 107.512 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 50.2 pttt -81.21 -1.15 43.65 Favored 'General case' 0 C--N 1.369 1.428 0 C-N-CA 126.807 2.043 . . . . 3.73 115.927 -169.356 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -81.46 -41.48 21.75 Favored 'General case' 0 C--N 1.364 1.217 0 C-N-CA 126.482 1.913 . . . . 1.1299999999999999 112.07 166.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 37.2 mm-40 -77.33 -45.67 25.4 Favored 'General case' 0 C--N 1.365 1.259 0 C-N-CA 128.181 2.592 . . . . 0.85999999999999999 112.64 -169.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 76.1 p -69.17 -36.64 77.58 Favored 'General case' 0 C--N 1.371 1.504 0 C-N-CA 127.208 2.203 . . . . 1.1200000000000001 111.953 -179.256 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -60.7 -53.59 55.62 Favored 'General case' 0 C--N 1.367 1.367 0 C-N-CA 130.374 3.47 . . . . 1.22 113.487 177.348 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -72.46 -37.55 68.49 Favored 'General case' 0 C--N 1.364 1.209 0 C-N-CA 126.18 1.792 . . . . 1.0600000000000001 115.315 -176.143 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 92.9 mt -68.1 -40.74 82.51 Favored 'General case' 0 C--N 1.365 1.25 0 C-N-CA 126.478 1.911 . . . . 1.05 114.75 177.211 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -70.37 -33.73 71.78 Favored 'General case' 0 C--N 1.363 1.186 0 C-N-CA 126.332 1.853 . . . . 1.6599999999999999 115.08 174.148 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.7 ptp180 -76.24 -33.13 59.18 Favored 'General case' 0 C--N 1.371 1.513 0 N-CA-C 116.155 1.909 . . . . 2.54 116.155 -178.872 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.269 2.3 mmm180 -75.9 -21.25 57.31 Favored 'General case' 0 C--N 1.371 1.538 0 N-CA-C 113.201 0.815 . . . . 1.8899999999999999 113.201 166.071 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -75.41 -23.05 56.98 Favored 'General case' 0 C--N 1.371 1.508 0 CA-C-N 120.671 1.578 . . . . 0.82999999999999996 114.678 174.083 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 36.0 mmt-85 -86.06 -40.18 16.02 Favored 'General case' 0 C--N 1.364 1.23 0 C-N-CA 125.776 1.63 . . . . 4.5700000000000003 113.408 177.798 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 66.8 tp60 -86.03 -21.34 27.8 Favored 'General case' 0 C--N 1.368 1.388 0 C-N-CA 128.202 2.601 . . . . 2.5299999999999998 112.773 -177.832 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.3 mm100 -134.22 -176.17 4.11 Favored 'General case' 0 C--N 1.362 1.12 0 N-CA-C 106.678 -1.601 . . . . 2.04 106.678 -177.51 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 28.0 mtp85 -106.11 -58.11 1.96 Allowed 'General case' 0 C--N 1.36 1.023 0 C-N-CA 126.376 1.87 . . . . 4.25 111.396 146.468 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 47.7 p90 -121.62 148.73 44.16 Favored 'General case' 0 N--CA 1.44 -0.937 0 C-N-CA 129.374 3.07 . . . . 5.9000000000000004 108.574 -157.758 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -152.16 120.53 6.37 Favored 'General case' 0 N--CA 1.441 -0.92 0 N-CA-C 103.904 -2.628 . . . . 1.23 103.904 -167.043 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 26.3 p -89.02 169.37 11.58 Favored 'General case' 0 C--N 1.368 1.373 0 C-N-CA 128.23 2.612 . . . . 2.04 109.571 -171.414 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.53 -37.25 21.3 Favored Pre-proline 0 C--N 1.366 1.31 0 N-CA-C 120.253 3.427 . . . . 1.23 120.253 -173.077 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -67.68 -30.21 34.94 Favored 'Trans proline' 0 C--N 1.36 1.161 0 C-N-CA 124.282 3.322 . . . . 1.03 115.062 173.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -101.02 -21.45 15.02 Favored 'General case' 0 C--N 1.363 1.157 0 C-N-CA 126.535 1.934 . . . . 1.7 114.507 178.204 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 65.2 ttp85 -84.23 -35.09 23.69 Favored 'General case' 0 C--N 1.375 1.683 0 C-N-CA 126.08 1.752 . . . . 3.04 112.231 -178.449 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 54.7 mm-40 -79.78 -21.06 44.84 Favored 'General case' 0 C--N 1.366 1.283 0 C-N-CA 127.404 2.281 . . . . 1.74 112.279 177.355 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 20.4 t60 -83.34 -30.12 27.72 Favored 'General case' 0 C--N 1.365 1.277 0 C-N-CA 128.293 2.637 . . . . 2.0099999999999998 111.51 178.639 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.4 -47.99 71.53 Favored 'General case' 0 C--N 1.371 1.501 0 C-N-CA 129.574 3.15 . . . . 1.1899999999999999 111.57 171.842 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.87 -28.95 66.07 Favored 'General case' 0 C--N 1.354 0.78 0 C-N-CA 128.609 2.764 . . . . 1.0700000000000001 116.513 179.255 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 75.7 m -83.26 -28.25 29.29 Favored 'General case' 0 C--N 1.361 1.095 0 C-N-CA 126.04 1.736 . . . . 1.03 112.871 174.096 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -73.41 -37.28 65.99 Favored 'General case' 0 C--N 1.362 1.146 0 C-N-CA 127.281 2.232 . . . . 2.3500000000000001 113.024 175.421 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.656 HD11 HD22 ' A' ' 48' ' ' LEU . 2.8 pt -105.59 -13.4 9.36 Favored 'Isoleucine or valine' 0 C--N 1.366 1.319 0 C-N-CA 124.566 1.146 . . . . 1.0700000000000001 112.317 -173.83 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 15.7 tpp180 87.58 41.76 0.01 OUTLIER 'General case' 0 C--N 1.37 1.495 0 C-N-CA 129.109 2.964 . . . . 3.6099999999999999 115.132 164.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.656 HD22 HD11 ' A' ' 46' ' ' ILE . 0.2 OUTLIER -113.2 179.31 4.0 Favored 'General case' 0 C--N 1.361 1.108 0 C-N-CA 125.71 1.604 . . . . 1.1200000000000001 110.115 -179.034 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 72.8 p -96.62 151.62 38.06 Favored Pre-proline 0 C--N 1.366 1.318 0 C-N-CA 127.244 2.218 . . . . 1.3600000000000001 109.187 175.624 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.413 ' HA ' HG12 ' A' ' 53' ' ' VAL . 10.5 Cg_exo -57.27 -18.36 30.03 Favored 'Trans proline' 0 C--N 1.366 1.448 1 C-N-CA 126.515 4.81 . . . . 1.0 118.47 172.719 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 14.7 t -88.77 -41.0 12.8 Favored 'General case' 0 C--N 1.366 1.298 0 CA-C-N 120.13 1.332 . . . . 1.1299999999999999 111.827 -174.547 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -67.01 -38.34 85.78 Favored 'General case' 0 C--N 1.364 1.22 0 C-N-CA 126.846 2.059 . . . . 1.04 113.351 172.024 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.413 HG12 ' HA ' ' A' ' 50' ' ' PRO . 10.3 p -65.63 -46.69 88.68 Favored 'Isoleucine or valine' 0 C--N 1.382 1.992 0 N-CA-C 113.821 1.045 . . . . 1.0700000000000001 113.821 173.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.39 -43.09 99.64 Favored 'General case' 0 C--N 1.374 1.659 0 C-N-CA 126.013 1.725 . . . . 1.54 115.267 179.549 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.279 12.1 mt -85.12 -9.6 11.38 Favored 'Isoleucine or valine' 0 C--N 1.367 1.338 0 C-N-CA 125.271 1.428 . . . . 1.3200000000000001 114.692 -179.417 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 38.7 t90 -75.24 -40.88 58.6 Favored 'General case' 0 C--N 1.381 1.948 0 CA-C-N 120.225 1.375 . . . . 0.28000000000000003 110.936 165.26 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -79.4 -14.28 59.05 Favored 'General case' 0 C--N 1.368 1.383 0 C-N-CA 124.96 1.304 . . . . 0.46000000000000002 114.149 178.107 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -75.38 -43.28 51.11 Favored 'General case' 0 C--N 1.362 1.122 0 C-N-CA 127.346 2.258 . . . . 1.3400000000000001 112.489 169.064 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 56.6 m-20 -95.0 -25.71 16.38 Favored 'General case' 0 C--N 1.365 1.244 0 C-N-CA 125.561 1.545 . . . . 0.56000000000000005 114.327 -168.531 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 2.7 t60 . . . . . 0 C--N 1.367 1.347 0 N-CA-C 114.466 1.284 . . . . 2.3900000000000001 114.466 -170.418 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 30.7 m . . . . . 0 CA--C 1.519 -0.236 0 N-CA-C 107.649 -1.241 . . . . 1.3100000000000001 107.649 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -85.34 10.68 11.97 Favored 'General case' 0 C--N 1.368 1.403 0 C-N-CA 126.464 1.906 . . . . 3.73 115.392 -169.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.24 -44.12 13.17 Favored 'General case' 0 C--N 1.362 1.129 0 C-N-CA 126.655 1.982 . . . . 1.1299999999999999 112.343 159.221 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 50.0 mm-40 -77.0 -45.78 26.11 Favored 'General case' 0 C--N 1.369 1.425 0 C-N-CA 128.331 2.652 . . . . 0.85999999999999999 111.996 -171.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 72.2 p -67.64 -34.67 77.43 Favored 'General case' 0 C--N 1.374 1.639 0 C-N-CA 128.289 2.636 . . . . 1.1200000000000001 112.11 177.845 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -58.28 -57.4 13.04 Favored 'General case' 0 C--N 1.371 1.542 0 C-N-CA 128.719 2.808 . . . . 1.22 112.717 174.241 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -66.8 -37.47 84.61 Favored 'General case' 0 C--N 1.369 1.436 0 C-N-CA 125.969 1.707 . . . . 1.0600000000000001 115.536 -175.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 98.6 mt -66.89 -37.15 83.84 Favored 'General case' 0 C--N 1.364 1.198 0 C-N-CA 126.98 2.112 . . . . 1.05 115.747 176.751 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -77.01 -27.08 54.49 Favored 'General case' 0 C--N 1.359 0.984 0 C-N-CA 126.74 2.016 . . . . 1.6599999999999999 114.332 176.352 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 11.3 mtm180 -69.57 -45.6 68.31 Favored 'General case' 0 C--N 1.377 1.796 0 C-N-CA 124.521 1.128 . . . . 2.54 112.488 175.658 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.307 4.0 mmm180 -71.29 -28.07 63.87 Favored 'General case' 0 C--N 1.381 1.956 0 CA-C-N 115.685 -0.689 . . . . 1.8899999999999999 112.592 -179.228 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -68.35 -36.02 78.61 Favored 'General case' 0 C--N 1.376 1.737 0 C-N-CA 128.016 2.527 . . . . 0.82999999999999996 113.713 178.385 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.1 mmt85 -79.23 -14.83 58.8 Favored 'General case' 0 C--N 1.367 1.349 0 C-N-CA 124.846 1.258 . . . . 4.5700000000000003 113.994 178.352 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 94.7 mm-40 -95.19 -31.99 13.26 Favored 'General case' 0 C--N 1.368 1.408 0 C-N-CA 126.004 1.721 . . . . 2.5299999999999998 112.991 173.069 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -167.63 153.46 7.48 Favored 'General case' 0 C--N 1.366 1.311 0 N-CA-C 106.024 -1.843 . . . . 2.04 106.024 -166.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 77.0 mmt-85 -102.17 -34.05 9.42 Favored 'General case' 0 C--N 1.359 1.008 0 C-N-CA 124.788 1.235 . . . . 4.25 110.225 -175.667 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -121.06 139.03 53.88 Favored 'General case' 0 C--N 1.358 0.944 0 C-N-CA 125.897 1.679 . . . . 5.9000000000000004 107.9 179.165 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -144.26 122.29 12.1 Favored 'General case' 0 CA--C 1.501 -0.919 0 C-N-CA 129.73 3.212 . . . . 1.23 102.356 -172.309 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 9.5 m -90.64 164.16 14.28 Favored 'General case' 0 C--N 1.366 1.313 0 C-N-CA 126.487 1.915 . . . . 2.04 109.864 -170.214 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -46.14 -35.13 3.83 Favored Pre-proline 0 C--N 1.367 1.352 0 N-CA-C 121.047 3.721 . . . . 1.23 121.047 -170.735 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_exo -66.98 -32.7 34.56 Favored 'Trans proline' 0 C--N 1.36 1.162 0 C-N-CA 124.265 3.31 . . . . 1.03 115.107 174.085 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -102.55 -19.3 14.91 Favored 'General case' 0 C--N 1.362 1.145 0 C-N-CA 126.239 1.815 . . . . 1.7 114.738 176.704 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 42.1 ttp180 -80.02 -41.97 24.74 Favored 'General case' 0 C--N 1.375 1.681 0 C-N-CA 126.243 1.817 . . . . 3.04 111.68 -179.436 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -81.47 -20.17 40.8 Favored 'General case' 0 C--N 1.369 1.443 0 C-N-CA 126.711 2.004 . . . . 1.74 112.287 -177.472 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 21.2 t60 -84.29 -26.13 28.8 Favored 'General case' 0 C--N 1.365 1.282 0 C-N-CA 128.222 2.609 . . . . 2.0099999999999998 111.469 177.15 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -74.76 -31.74 61.87 Favored 'General case' 0 C--N 1.369 1.439 0 C-N-CA 128.151 2.58 . . . . 1.1899999999999999 111.844 171.625 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -82.26 -25.78 33.77 Favored 'General case' 0 C--N 1.364 1.196 0 C-N-CA 127.776 2.43 . . . . 1.0700000000000001 113.384 176.524 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.3 t -85.08 -28.74 25.42 Favored 'General case' 0 C--N 1.357 0.918 0 C-N-CA 125.849 1.66 . . . . 1.03 112.562 176.342 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -76.11 -41.6 49.71 Favored 'General case' 0 C--N 1.362 1.116 0 C-N-CA 127.799 2.44 . . . . 2.3500000000000001 112.109 177.154 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.2 pt -98.62 -14.72 7.66 Favored 'Isoleucine or valine' 0 C--N 1.367 1.334 0 C-N-CA 124.287 1.035 . . . . 1.0700000000000001 112.007 -175.394 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 13.2 tpp180 93.32 52.18 0.0 OUTLIER 'General case' 0 C--N 1.376 1.727 0 C-N-CA 129.099 2.96 . . . . 3.6099999999999999 114.179 160.235 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 75.0 mt -127.51 -162.64 1.18 Allowed 'General case' 0 C--N 1.367 1.361 0 C-N-CA 124.675 1.19 . . . . 1.1200000000000001 111.293 -176.725 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 69.7 p -104.71 148.74 36.55 Favored Pre-proline 0 C--N 1.369 1.44 0 C-N-CA 128.38 2.672 . . . . 1.3600000000000001 109.013 176.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -61.85 -20.12 68.14 Favored 'Trans proline' 0 C--N 1.361 1.216 1 C-N-CA 126.252 4.634 . . . . 1.0 117.258 170.37 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.9 t -87.99 -29.87 20.43 Favored 'General case' 0 C--N 1.365 1.245 0 C-N-CA 126.372 1.869 . . . . 1.1299999999999999 111.215 -177.328 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -82.69 -32.46 28.07 Favored 'General case' 0 C--N 1.37 1.49 0 CA-C-N 119.576 1.08 . . . . 1.04 112.483 178.385 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 8.4 p -68.24 -41.95 84.26 Favored 'Isoleucine or valine' 0 C--N 1.38 1.93 0 C-N-CA 124.788 1.235 . . . . 1.0700000000000001 112.658 170.618 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.83 -46.25 78.17 Favored 'General case' 0 C--N 1.371 1.5 0 C-N-CA 126.998 2.119 . . . . 1.54 115.811 172.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.304 5.9 mt -86.89 -8.86 11.1 Favored 'Isoleucine or valine' 0 C--N 1.366 1.324 0 N-CA-C 115.403 1.631 . . . . 1.3200000000000001 115.403 -179.665 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 36.8 t90 -73.72 -40.77 63.33 Favored 'General case' 0 C--N 1.379 1.848 0 CA-C-N 120.124 1.329 . . . . 0.28000000000000003 111.346 165.411 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -83.15 -11.72 57.65 Favored 'General case' 0 C--N 1.365 1.271 0 C-N-CA 126.425 1.89 . . . . 0.46000000000000002 113.753 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -81.43 -40.27 23.63 Favored 'General case' 0 C--N 1.358 0.936 0 C-N-CA 127.441 2.296 . . . . 1.3400000000000001 112.026 171.704 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 48.6 m-20 -93.78 -27.29 16.56 Favored 'General case' 0 C--N 1.366 1.309 0 C-N-CA 125.743 1.617 . . . . 0.56000000000000005 114.085 -171.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 2.3 t60 . . . . . 0 C--N 1.365 1.245 0 C-N-CA 125.096 1.358 . . . . 2.3900000000000001 114.048 -176.258 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 20.8 m . . . . . 0 CA--C 1.519 -0.238 0 N-CA-C 108.591 -0.892 . . . . 1.3100000000000001 108.591 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.22 -0.38 24.97 Favored 'General case' 0 C--N 1.369 1.421 0 C-N-CA 127.112 2.165 . . . . 3.73 116.113 -170.673 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.32 -47.64 9.83 Favored 'General case' 0 C--N 1.361 1.09 0 C-N-CA 126.388 1.875 . . . . 1.1299999999999999 111.924 164.555 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 42.9 mm-40 -69.64 -45.52 68.26 Favored 'General case' 0 C--N 1.374 1.645 0 C-N-CA 128.365 2.666 . . . . 0.85999999999999999 112.719 -173.878 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 77.3 p -73.97 -30.31 62.44 Favored 'General case' 0 C--N 1.367 1.346 0 C-N-CA 126.943 2.097 . . . . 1.1200000000000001 112.32 -178.047 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 46.4 t80 -68.98 -47.56 65.3 Favored 'General case' 0 C--N 1.363 1.165 0 C-N-CA 127.498 2.319 . . . . 1.22 112.978 -179.33 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -73.66 -38.37 64.97 Favored 'General case' 0 C--N 1.359 0.986 0 N-CA-C 115.652 1.723 . . . . 1.0600000000000001 115.652 -179.452 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 94.4 mt -69.55 -42.01 75.16 Favored 'General case' 0 C--N 1.362 1.115 0 C-N-CA 126.077 1.751 . . . . 1.05 114.884 178.61 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 80.4 mt-10 -70.8 -32.12 69.1 Favored 'General case' 0 C--N 1.364 1.206 0 C-N-CA 127.24 2.216 . . . . 1.6599999999999999 114.903 174.724 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . 0.264 5.5 ptp180 -73.63 -41.64 62.5 Favored 'General case' 0 C--N 1.374 1.633 0 N-CA-C 115.234 1.568 . . . . 2.54 115.234 177.428 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.485 0.0 OUTLIER -86.07 1.9 48.61 Favored 'General case' 0 C--N 1.369 1.438 0 N-CA-C 115.732 1.753 . . . . 1.8899999999999999 115.732 170.455 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -83.16 -36.66 24.56 Favored 'General case' 0 C--N 1.368 1.389 0 C-N-CA 124.741 1.216 . . . . 0.82999999999999996 113.651 158.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 23.6 mmm-85 -86.87 -49.69 7.23 Favored 'General case' 0 C--N 1.369 1.429 0 C-N-CA 125.205 1.402 . . . . 4.5700000000000003 114.384 -171.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . 0.27 0.0 OUTLIER -93.94 9.64 36.65 Favored 'General case' 0 C--N 1.369 1.421 0 C-N-CA 125.773 1.629 . . . . 2.5299999999999998 113.15 -178.295 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -143.15 173.77 11.28 Favored 'General case' 0 C--N 1.361 1.107 0 N-CA-C 103.835 -2.654 . . . . 2.04 103.835 174.026 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.409 ' O ' HD12 ' A' ' 34' ' ' LEU . 10.8 mtp-105 -102.42 -76.85 0.57 Allowed 'General case' 0 C--N 1.362 1.148 0 N-CA-C 102.06 -3.311 . . . . 4.25 102.06 129.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . 2.299 4.3 m-85 55.19 67.76 0.97 Allowed 'General case' 0 C--N 1.368 1.395 0 C-N-CA 131.256 3.822 . . . . 5.9000000000000004 117.759 127.546 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.409 HD12 ' O ' ' A' ' 32' ' ' ARG 0.253 0.0 OUTLIER -162.54 119.59 2.0 Favored 'General case' 0 C--N 1.352 0.705 0 N-CA-C 106.822 -1.547 . . . . 1.23 106.822 173.483 . . . . . . . . 4 4 . 1 . 020 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 13.6 m -106.98 166.78 10.35 Favored 'General case' 0 C--N 1.375 1.68 0 C-N-CA 125.878 1.671 . . . . 2.04 106.952 -177.582 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -43.49 -37.16 2.58 Favored Pre-proline 0 C--N 1.368 1.404 0 N-CA-C 120.928 3.677 . . . . 1.23 120.928 -172.793 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -67.53 -33.84 27.66 Favored 'Trans proline' 0 C--N 1.363 1.299 0 C-N-CA 124.435 3.423 . . . . 1.03 115.394 175.087 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -101.3 -9.19 21.43 Favored 'General case' 0 C--N 1.364 1.21 0 C-N-CA 125.679 1.592 . . . . 1.7 114.478 176.721 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 35.7 ttt85 -88.89 -43.42 11.2 Favored 'General case' 0 C--N 1.366 1.318 0 C-N-CA 127.385 2.274 . . . . 3.04 111.857 -176.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -83.24 -19.69 35.94 Favored 'General case' 0 C--N 1.369 1.447 0 C-N-CA 126.524 1.93 . . . . 1.74 111.923 177.614 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 40.3 t-80 -84.76 -25.12 28.47 Favored 'General case' 0 C--N 1.367 1.334 0 C-N-CA 127.151 2.18 . . . . 2.0099999999999998 111.49 176.303 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -69.53 -33.91 73.49 Favored 'General case' 0 C--N 1.371 1.512 0 C-N-CA 128.047 2.539 . . . . 1.1899999999999999 112.188 166.635 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -74.19 -27.5 60.83 Favored 'General case' 0 C--N 1.362 1.15 0 C-N-CA 126.764 2.026 . . . . 1.0700000000000001 114.015 172.798 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 50.1 m -83.34 -28.28 29.12 Favored 'General case' 0 C--N 1.358 0.953 0 C-N-CA 125.305 1.442 . . . . 1.03 113.988 173.495 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -77.39 -38.9 48.9 Favored 'General case' 0 C--N 1.362 1.148 0 C-N-CA 127.912 2.485 . . . . 2.3500000000000001 112.147 179.554 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.6 pt -100.08 -18.29 6.39 Favored 'Isoleucine or valine' 0 C--N 1.366 1.288 0 C-N-CA 124.654 1.182 . . . . 1.0700000000000001 111.264 -175.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 17.6 tpt180 84.23 67.37 0.01 OUTLIER 'General case' 0 C--N 1.372 1.544 0 C-N-CA 129.131 2.972 . . . . 3.6099999999999999 113.626 169.842 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 93.3 mt -137.27 -160.47 1.06 Allowed 'General case' 0 C--N 1.354 0.788 0 N-CA-C 106.704 -1.591 . . . . 1.1200000000000001 106.704 173.004 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 77.1 p -107.67 145.84 32.14 Favored Pre-proline 0 C--N 1.364 1.221 0 C-N-CA 127.085 2.154 . . . . 1.3600000000000001 107.414 175.661 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_exo -61.35 -18.01 56.58 Favored 'Trans proline' 0 C--N 1.366 1.456 1 C-N-CA 125.984 4.456 . . . . 1.0 116.484 171.542 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.8 t -85.52 -29.88 23.87 Favored 'General case' 0 C--N 1.366 1.307 0 C-N-CA 127.723 2.409 . . . . 1.1299999999999999 111.253 -178.866 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . 0.25 9.1 pt20 -84.56 -31.45 24.35 Favored 'General case' 0 C--N 1.373 1.629 0 CA-C-N 119.505 1.048 . . . . 1.04 112.72 178.408 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 5.8 p -68.55 -33.68 61.26 Favored 'Isoleucine or valine' 0 C--N 1.379 1.872 0 C-N-CA 124.582 1.153 . . . . 1.0700000000000001 112.869 167.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.01 -55.18 25.53 Favored 'General case' 0 C--N 1.371 1.508 0 C-N-CA 128.083 2.553 . . . . 1.54 116.241 166.741 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.267 4.9 mt -82.6 -6.5 10.06 Favored 'Isoleucine or valine' 0 C--N 1.368 1.382 0 N-CA-C 114.551 1.315 . . . . 1.3200000000000001 114.551 179.429 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 25.5 t90 -76.38 -43.13 42.05 Favored 'General case' 0 C--N 1.376 1.753 0 C-N-CA 125.726 1.61 . . . . 0.28000000000000003 111.186 169.399 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -80.23 -14.12 58.68 Favored 'General case' 0 C--N 1.37 1.474 0 C-N-CA 126.591 1.956 . . . . 0.46000000000000002 112.691 178.878 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -78.92 -37.59 39.45 Favored 'General case' 0 C--N 1.36 1.061 0 C-N-CA 127.56 2.344 . . . . 1.3400000000000001 112.197 172.229 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 60.8 m-20 -90.65 -37.3 13.85 Favored 'General case' 0 C--N 1.366 1.286 0 C-N-CA 126.126 1.77 . . . . 0.56000000000000005 113.818 -174.094 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 7.4 t60 . . . . . 0 C--N 1.365 1.241 0 C-N-CA 125.965 1.706 . . . . 2.3900000000000001 115.258 -171.065 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 24.7 m . . . . . 0 CA--C 1.518 -0.281 0 N-CA-C 107.662 -1.236 . . . . 1.3100000000000001 107.662 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.78 -9.04 58.26 Favored 'General case' 0 C--N 1.368 1.386 0 C-N-CA 127.157 2.183 . . . . 3.73 116.285 -170.105 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -82.64 -35.95 26.46 Favored 'General case' 0 C--N 1.365 1.25 0 C-N-CA 126.462 1.905 . . . . 1.1299999999999999 112.552 172.161 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 45.8 mm-40 -73.85 -45.88 48.38 Favored 'General case' 0 C--N 1.369 1.418 0 C-N-CA 128.832 2.853 . . . . 0.85999999999999999 111.757 -175.84 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 59.7 p -73.33 -29.95 63.01 Favored 'General case' 0 C--N 1.366 1.283 0 C-N-CA 126.509 1.924 . . . . 1.1200000000000001 112.469 179.592 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 63.7 t80 -63.49 -52.42 61.39 Favored 'General case' 0 C--N 1.367 1.347 0 C-N-CA 128.188 2.595 . . . . 1.22 113.332 176.64 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -73.01 -38.47 66.57 Favored 'General case' 0 C--N 1.362 1.145 0 N-CA-C 115.612 1.708 . . . . 1.0600000000000001 115.612 -177.676 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 88.1 mt -69.05 -42.94 75.63 Favored 'General case' 0 C--N 1.365 1.256 0 C-N-CA 126.492 1.917 . . . . 1.05 114.398 -179.585 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -70.6 -33.93 71.6 Favored 'General case' 0 C--N 1.362 1.11 0 C-N-CA 126.586 1.954 . . . . 1.6599999999999999 115.247 173.017 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . 0.256 2.7 ptp180 -75.07 -34.22 61.76 Favored 'General case' 0 C--N 1.372 1.559 0 N-CA-C 116.56 2.059 . . . . 2.54 116.56 -177.835 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.329 22.9 mmm-85 -75.64 -29.51 59.16 Favored 'General case' 0 C--N 1.371 1.515 0 CA-C-O 118.594 -0.717 . . . . 1.8899999999999999 112.785 166.23 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -70.01 -21.21 63.23 Favored 'General case' 0 C--N 1.376 1.746 0 C-N-CA 126.558 1.943 . . . . 0.82999999999999996 113.869 -175.192 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.2 mmm180 -70.34 -34.64 72.89 Favored 'General case' 0 C--N 1.366 1.324 0 C-N-CA 126.363 1.865 . . . . 4.5700000000000003 115.542 169.8 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -99.6 -31.04 11.79 Favored 'General case' 0 C--N 1.36 1.029 0 C-N-CA 126.058 1.743 . . . . 2.5299999999999998 113.995 -174.569 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -153.5 147.82 25.9 Favored 'General case' 0 C--N 1.364 1.215 0 CA-C-N 119.9 1.227 . . . . 2.04 107.87 -170.042 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 12.5 mtm105 -105.37 -38.38 6.51 Favored 'General case' 0 C--N 1.365 1.261 0 C-N-CA 125.761 1.624 . . . . 4.25 111.56 -176.088 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -104.77 134.08 48.51 Favored 'General case' 0 C--N 1.363 1.187 0 C-N-CA 124.774 1.23 . . . . 5.9000000000000004 111.81 -173.218 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . 2.041 0.7 OUTLIER -100.45 93.43 5.63 Favored 'General case' 0 C--N 1.361 1.088 0 C-N-CA 129.687 3.195 . . . . 1.23 111.072 -169.633 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.7 p -71.75 145.77 48.55 Favored 'General case' 0 C--N 1.379 1.851 0 CA-C-N 122.786 2.539 . . . . 2.04 111.616 172.175 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.12 -39.96 80.88 Favored Pre-proline 0 C--N 1.365 1.259 0 N-CA-C 119.962 3.319 . . . . 1.23 119.962 -161.972 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -68.23 -21.54 41.67 Favored 'Trans proline' 0 C--N 1.363 1.33 0 C-N-CA 124.554 3.503 . . . . 1.03 115.337 174.741 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -104.23 -15.78 15.39 Favored 'General case' 0 C--N 1.363 1.177 0 C-N-CA 125.955 1.702 . . . . 1.7 114.508 176.251 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.8 ttm105 -80.75 -46.13 15.96 Favored 'General case' 0 C--N 1.375 1.69 0 C-N-CA 126.867 2.067 . . . . 3.04 111.343 179.072 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -75.52 -28.01 58.94 Favored 'General case' 0 C--N 1.37 1.492 0 C-N-CA 128.667 2.787 . . . . 1.74 112.13 -178.213 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 46.2 t-80 -84.75 -26.26 27.73 Favored 'General case' 0 C--N 1.364 1.207 0 C-N-CA 127.849 2.46 . . . . 2.0099999999999998 111.755 -177.146 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -71.61 -34.91 70.26 Favored 'General case' 0 C--N 1.367 1.365 0 C-N-CA 127.982 2.513 . . . . 1.1899999999999999 112.292 170.679 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.59 -30.72 59.7 Favored 'General case' 0 C--N 1.365 1.262 0 C-N-CA 127.956 2.503 . . . . 1.0700000000000001 114.275 174.789 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 70.8 m -85.09 -26.95 26.62 Favored 'General case' 0 C--N 1.362 1.122 0 C-N-CA 125.952 1.701 . . . . 1.03 113.112 177.893 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 52.1 tp -74.04 -40.99 62.46 Favored 'General case' 0 C--N 1.363 1.157 0 C-N-CA 127.707 2.403 . . . . 2.3500000000000001 112.212 176.298 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.5 pt -101.19 -14.84 7.85 Favored 'Isoleucine or valine' 0 C--N 1.366 1.311 0 C-N-CA 123.759 0.823 . . . . 1.0700000000000001 112.828 -174.176 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 16.5 tpp180 86.75 51.42 0.01 OUTLIER 'General case' 0 C--N 1.369 1.441 0 C-N-CA 128.399 2.68 . . . . 3.6099999999999999 113.462 166.732 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 75.6 mt -129.1 -170.63 2.31 Favored 'General case' 0 C--N 1.362 1.138 0 C-N-CA 124.806 1.243 . . . . 1.1200000000000001 107.788 176.661 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 81.5 p -94.04 146.7 32.12 Favored Pre-proline 0 C--N 1.37 1.488 0 C-N-CA 126.614 1.966 . . . . 1.3600000000000001 108.988 178.631 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_exo -60.58 -21.03 67.34 Favored 'Trans proline' 0 C--N 1.363 1.296 1 C-N-CA 125.983 4.455 . . . . 1.0 116.963 172.315 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.9 t -87.53 -29.48 21.3 Favored 'General case' 0 C--N 1.366 1.3 0 C-N-CA 125.801 1.64 . . . . 1.1299999999999999 111.356 -177.193 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -82.6 -30.64 29.36 Favored 'General case' 0 C--N 1.372 1.571 0 CA-C-N 119.465 1.029 . . . . 1.04 112.593 178.098 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 8.0 p -70.16 -42.75 79.19 Favored 'Isoleucine or valine' 0 C--N 1.377 1.791 0 C-N-CA 125.319 1.448 . . . . 1.0700000000000001 112.692 172.798 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.46 -47.29 84.48 Favored 'General case' 0 C--N 1.374 1.639 0 C-N-CA 128.608 2.763 . . . . 1.54 113.255 175.761 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.295 6.5 mt -88.47 -5.63 10.54 Favored 'Isoleucine or valine' 0 C--N 1.365 1.282 0 N-CA-C 115.308 1.596 . . . . 1.3200000000000001 115.308 -179.924 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 53.6 t90 -72.24 -39.15 68.69 Favored 'General case' 0 C--N 1.38 1.914 0 C-N-CA 125.898 1.679 . . . . 0.28000000000000003 110.308 165.283 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -79.5 -34.36 41.34 Favored 'General case' 0 C--N 1.367 1.34 0 C-N-CA 125.624 1.569 . . . . 0.46000000000000002 113.645 178.026 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -65.59 -39.66 91.83 Favored 'General case' 0 C--N 1.356 0.87 0 C-N-CA 128.212 2.605 . . . . 1.3400000000000001 113.524 177.729 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -86.05 -10.3 55.22 Favored 'General case' 0 C--N 1.364 1.219 0 C-N-CA 127.115 2.166 . . . . 0.56000000000000005 112.942 169.589 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . 2.093 0.1 OUTLIER . . . . . 0 C--N 1.361 1.097 0 C-N-CA 130.042 3.337 . . . . 2.3900000000000001 114.611 174.441 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.8 m . . . . . 0 CA--C 1.52 -0.179 0 N-CA-C 107.29 -1.374 . . . . 1.3100000000000001 107.29 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.12 11.92 8.82 Favored 'General case' 0 C--N 1.368 1.405 0 C-N-CA 126.645 1.978 . . . . 3.73 115.027 -173.457 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.22 -40.76 16.29 Favored 'General case' 0 C--N 1.362 1.113 0 C-N-CA 126.495 1.918 . . . . 1.1299999999999999 112.577 160.904 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 42.5 mm-40 -77.57 -54.16 6.73 Favored 'General case' 0 C--N 1.369 1.427 0 C-N-CA 129.046 2.938 . . . . 0.85999999999999999 111.675 -167.852 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 74.1 p -64.96 -40.51 95.12 Favored 'General case' 0 C--N 1.37 1.466 0 C-N-CA 128.539 2.736 . . . . 1.1200000000000001 111.821 178.941 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 43.7 t80 -54.96 -56.46 19.38 Favored 'General case' 0 C--N 1.367 1.34 0 C-N-CA 128.587 2.755 . . . . 1.22 113.785 175.167 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -65.39 -40.14 93.11 Favored 'General case' 0 C--N 1.368 1.404 0 C-N-CA 126.592 1.957 . . . . 1.0600000000000001 115.495 -176.475 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 97.5 mt -66.06 -38.94 89.59 Favored 'General case' 0 C--N 1.365 1.252 0 N-CA-C 115.717 1.747 . . . . 1.05 115.717 178.913 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -76.55 -28.05 56.13 Favored 'General case' 0 C--N 1.36 1.044 0 C-N-CA 127.431 2.293 . . . . 1.6599999999999999 114.825 176.426 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . 0.264 12.7 mtm180 -67.78 -52.52 36.27 Favored 'General case' 0 C--N 1.376 1.741 0 C-N-CA 124.033 0.933 . . . . 2.54 112.31 176.723 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.554 HH22 HD23 ' A' ' 42' ' ' LEU 0.584 0.2 OUTLIER -85.52 -5.67 59.26 Favored 'General case' 0 C--N 1.38 1.927 0 N-CA-C 113.458 0.911 . . . . 1.8899999999999999 113.458 -173.484 . . . . . . . . 4 4 . 1 . 022 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -74.09 -30.99 62.62 Favored 'General case' 0 C--N 1.376 1.725 0 C-N-CA 127.109 2.164 . . . . 0.82999999999999996 113.725 161.972 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.4 mmt-85 -74.44 -30.52 61.93 Favored 'General case' 0 C--N 1.369 1.448 0 C-N-CA 125.939 1.696 . . . . 4.5700000000000003 114.361 169.139 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 66.6 tp60 -93.7 -24.47 17.84 Favored 'General case' 0 C--N 1.364 1.23 0 C-N-CA 127.1 2.16 . . . . 2.5299999999999998 112.903 -175.276 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 41.8 mm-40 -138.77 171.11 14.82 Favored 'General case' 0 C--N 1.366 1.311 0 N-CA-C 107.22 -1.4 . . . . 2.04 107.22 -174.221 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 79.0 mtt-85 -107.18 -41.67 5.07 Favored 'General case' 0 C--N 1.36 1.044 0 C-N-CA 125.929 1.692 . . . . 4.25 110.547 162.197 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 49.9 p90 -136.03 150.69 49.29 Favored 'General case' 0 C--N 1.359 1.015 0 C-N-CA 127.478 2.311 . . . . 5.9000000000000004 106.531 -163.37 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -157.58 121.19 4.1 Favored 'General case' 0 C--N 1.356 0.85 0 N-CA-C 106.135 -1.802 . . . . 1.23 106.135 -168.508 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.4 p -94.32 163.31 13.48 Favored 'General case' 0 C--N 1.367 1.361 0 C-N-CA 127.577 2.351 . . . . 2.04 110.2 -173.839 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -43.45 -38.41 3.72 Favored Pre-proline 0 C--N 1.367 1.34 0 N-CA-C 121.34 3.83 . . . . 1.23 121.34 -168.532 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -69.55 -34.36 15.46 Favored 'Trans proline' 0 C--N 1.36 1.158 0 CA-C-N 125.691 3.068 . . . . 1.03 114.92 -179.825 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -93.56 -33.56 13.69 Favored 'General case' 0 C--N 1.366 1.32 0 C-N-CA 125.921 1.689 . . . . 1.7 113.542 176.402 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 41.4 ttt180 -63.26 -43.32 98.29 Favored 'General case' 0 C--N 1.369 1.43 0 C-N-CA 128.814 2.846 . . . . 3.04 114.93 -179.835 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 -84.6 -19.66 32.67 Favored 'General case' 0 C--N 1.359 1.003 0 C-N-CA 128.136 2.574 . . . . 1.74 112.165 -177.945 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 56.7 t-80 -77.83 -24.95 48.51 Favored 'General case' 0 C--N 1.367 1.361 0 C-N-CA 128.364 2.665 . . . . 2.0099999999999998 112.411 174.39 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.554 HD23 HH22 ' A' ' 27' ' ' ARG . 0.6 OUTLIER -68.36 -55.79 10.78 Favored 'General case' 0 C--N 1.369 1.421 0 C-N-CA 129.672 3.189 . . . . 1.1899999999999999 110.891 172.441 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.53 -28.59 70.05 Favored 'General case' 0 C--N 1.356 0.852 0 C-N-CA 129.565 3.146 . . . . 1.0700000000000001 116.323 178.183 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 66.1 m -85.18 -38.03 19.47 Favored 'General case' 0 C--N 1.362 1.123 0 C-N-CA 125.511 1.524 . . . . 1.03 114.024 177.769 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 83.9 mt -84.8 -21.85 29.77 Favored 'General case' 0 C--N 1.361 1.091 0 C-N-CA 125.241 1.417 . . . . 2.3500000000000001 113.737 179.284 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -97.93 -20.23 5.68 Favored 'Isoleucine or valine' 0 C--N 1.367 1.339 0 C-N-CA 124.672 1.189 . . . . 1.0700000000000001 110.623 176.689 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 82.27 61.66 0.02 OUTLIER 'General case' 0 C--N 1.371 1.543 0 C-N-CA 129.275 3.03 . . . . 3.6099999999999999 112.689 165.909 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 93.2 mt -135.93 -170.45 2.64 Favored 'General case' 0 C--N 1.359 0.979 0 C-N-CA 124.895 1.278 . . . . 1.1200000000000001 108.56 176.926 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 63.3 p -96.42 148.54 34.63 Favored Pre-proline 0 C--N 1.37 1.491 0 C-N-CA 127.039 2.136 . . . . 1.3600000000000001 109.556 -178.095 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_exo -61.89 -21.96 73.34 Favored 'Trans proline' 0 C--N 1.367 1.511 1 C-N-CA 126.13 4.553 . . . . 1.0 116.09 171.983 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.3 t -86.37 -29.1 23.2 Favored 'General case' 0 C--N 1.365 1.282 0 C-N-CA 126.247 1.819 . . . . 1.1299999999999999 111.176 -177.19 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -81.95 -31.35 31.29 Favored 'General case' 0 C--N 1.373 1.591 0 CA-C-N 119.393 0.997 . . . . 1.04 112.818 177.622 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 9.0 p -68.5 -43.04 84.05 Favored 'Isoleucine or valine' 0 C--N 1.376 1.747 0 C-N-CA 125.037 1.335 . . . . 1.0700000000000001 112.968 172.26 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.42 -37.07 82.48 Favored 'General case' 0 C--N 1.378 1.825 0 C-N-CA 125.046 1.338 . . . . 1.54 114.046 177.52 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.301 6.9 mt -88.21 -5.96 10.59 Favored 'Isoleucine or valine' 0 C--N 1.372 1.581 0 N-CA-C 114.822 1.415 . . . . 1.3200000000000001 114.822 176.588 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 49.7 t90 -75.37 -41.47 56.37 Favored 'General case' 0 C--N 1.379 1.877 0 C-N-CA 125.469 1.507 . . . . 0.28000000000000003 110.781 166.065 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -78.0 -17.5 57.05 Favored 'General case' 0 C--N 1.368 1.401 0 C-N-CA 125.053 1.341 . . . . 0.46000000000000002 113.751 177.686 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 20.7 tt0 -76.76 -38.45 54.09 Favored 'General case' 0 C--N 1.363 1.158 0 C-N-CA 127.428 2.291 . . . . 1.3400000000000001 112.398 172.986 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 62.3 m-20 -91.98 -30.3 16.15 Favored 'General case' 0 C--N 1.365 1.261 0 C-N-CA 125.77 1.628 . . . . 0.56000000000000005 113.856 -173.226 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 1.8 t60 . . . . . 0 C--N 1.364 1.205 0 C-N-CA 125.288 1.435 . . . . 2.3900000000000001 114.338 -172.606 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 24.3 m . . . . . 0 CA--C 1.521 -0.151 0 N-CA-C 107.998 -1.112 . . . . 1.3100000000000001 107.998 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.76 -4.25 48.4 Favored 'General case' 0 C--N 1.369 1.414 0 C-N-CA 127.245 2.218 . . . . 3.73 115.705 -172.591 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -79.31 -40.71 29.73 Favored 'General case' 0 C--N 1.366 1.283 0 C-N-CA 126.929 2.092 . . . . 1.1299999999999999 112.14 168.769 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 -73.99 -49.13 25.82 Favored 'General case' 0 C--N 1.365 1.258 0 C-N-CA 129.388 3.075 . . . . 0.85999999999999999 113.075 -172.472 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 66.9 p -73.28 -29.13 62.52 Favored 'General case' 0 C--N 1.364 1.221 0 C-N-CA 126.182 1.793 . . . . 1.1200000000000001 112.52 -178.061 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -65.69 -53.05 46.34 Favored 'General case' 0 C--N 1.369 1.454 0 C-N-CA 128.47 2.708 . . . . 1.22 112.945 176.423 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -72.47 -36.18 68.4 Favored 'General case' 0 C--N 1.361 1.098 0 C-N-CA 125.973 1.709 . . . . 1.0600000000000001 115.287 -176.632 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 90.3 mt -71.17 -41.3 70.55 Favored 'General case' 0 C--N 1.361 1.073 0 C-N-CA 126.873 2.069 . . . . 1.05 114.61 178.85 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -71.74 -31.35 66.59 Favored 'General case' 0 C--N 1.362 1.126 0 C-N-CA 125.893 1.677 . . . . 1.6599999999999999 115.455 172.418 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.1 ptm180 -78.52 -29.38 46.5 Favored 'General case' 0 C--N 1.371 1.539 0 N-CA-C 115.267 1.58 . . . . 2.54 115.267 -176.938 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.258 36.1 mmm-85 -78.74 -26.28 44.62 Favored 'General case' 0 C--N 1.369 1.455 0 CA-C-O 118.384 -0.817 . . . . 1.8899999999999999 112.724 164.057 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -71.23 -19.84 62.32 Favored 'General case' 0 C--N 1.376 1.747 0 CA-C-N 120.641 1.564 . . . . 0.82999999999999996 114.164 178.365 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 19.8 mmm-85 -74.16 -44.61 52.9 Favored 'General case' 0 C--N 1.366 1.297 0 C-N-CA 126.685 1.994 . . . . 4.5700000000000003 113.923 173.951 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 63.9 tp60 -93.25 -22.42 19.02 Favored 'General case' 0 N--CA 1.435 -1.188 0 C-N-CA 128.063 2.545 . . . . 2.5299999999999998 112.748 -173.054 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -156.16 170.49 22.1 Favored 'General case' 0 C--N 1.365 1.276 0 O-C-N 121.174 -0.954 . . . . 2.04 109.573 178.516 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.546 ' HG3' HH11 ' A' ' 32' ' ' ARG . 8.2 mtm-85 -105.84 -34.27 7.71 Favored 'General case' 0 C--N 1.363 1.185 0 C-N-CA 127.287 2.235 . . . . 4.25 109.06 175.251 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -134.03 142.84 47.75 Favored 'General case' 0 C--N 1.357 0.893 0 C-N-CA 127.099 2.16 . . . . 5.9000000000000004 105.808 -173.862 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.584 HD22 ' HB2' ' A' ' 39' ' ' ARG 0.295 0.0 OUTLIER -106.28 -106.1 0.32 Allowed 'General case' 0 CA--C 1.555 1.151 0 N-CA-C 102.925 -2.991 . . . . 1.23 102.925 -163.234 . . . . . . . . 4 4 . 1 . 023 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . 2.407 13.1 m -156.09 -159.55 0.91 Allowed 'General case' 0 C--N 1.376 1.718 0 N-CA-C 101.677 -3.453 . . . . 2.04 101.677 140.895 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . 0.27 . . -76.18 -53.85 2.12 Favored Pre-proline 0 C--N 1.365 1.265 0 CA-C-O 116.276 -1.821 . . . . 1.23 115.631 -177.667 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -72.76 -10.26 24.77 Favored 'Trans proline' 0 C--N 1.364 1.393 0 C-N-CA 123.83 3.02 . . . . 1.03 115.312 -178.943 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -99.29 -22.47 15.58 Favored 'General case' 0 C--N 1.361 1.065 0 C-N-CA 127.259 2.224 . . . . 1.7 113.539 179.5 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.584 ' HB2' HD22 ' A' ' 34' ' ' LEU . 3.2 tmm_? -83.75 -30.12 26.92 Favored 'General case' 0 C--N 1.378 1.822 0 CA-C-N 120.827 1.649 . . . . 3.04 111.157 171.5 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -81.88 -23.02 36.56 Favored 'General case' 0 C--N 1.375 1.696 0 C-N-CA 124.397 1.079 . . . . 1.74 112.447 178.281 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 46.0 t-80 -85.06 -26.54 26.92 Favored 'General case' 0 C--N 1.364 1.214 0 C-N-CA 127.7 2.4 . . . . 2.0099999999999998 111.818 178.017 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -75.59 -26.76 58.15 Favored 'General case' 0 C--N 1.366 1.318 0 C-N-CA 128.568 2.747 . . . . 1.1899999999999999 111.712 170.894 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -80.75 -31.27 35.97 Favored 'General case' 0 C--N 1.366 1.291 0 C-N-CA 126.995 2.118 . . . . 1.0700000000000001 112.822 175.758 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 55.5 m -80.69 -25.65 38.05 Favored 'General case' 0 C--N 1.361 1.105 0 C-N-CA 125.733 1.613 . . . . 1.03 113.6 173.836 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 5.9 tt -75.06 -39.33 60.95 Favored 'General case' 0 C--N 1.362 1.142 0 C-N-CA 128.008 2.523 . . . . 2.3500000000000001 112.434 175.357 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.8 pt -101.71 -14.76 7.97 Favored 'Isoleucine or valine' 0 C--N 1.367 1.369 0 C-N-CA 124.244 1.018 . . . . 1.0700000000000001 112.83 -172.809 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 9.3 tpt180 89.5 33.96 0.02 OUTLIER 'General case' 0 C--N 1.37 1.482 0 C-N-CA 129.463 3.105 . . . . 3.6099999999999999 112.318 165.408 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -118.28 178.36 4.47 Favored 'General case' 0 C--N 1.357 0.906 0 C-N-CA 127.492 2.317 . . . . 1.1200000000000001 107.678 -174.162 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.413 HG22 ' H ' ' A' ' 51' ' ' THR . 81.1 p -93.11 143.15 26.31 Favored Pre-proline 0 C--N 1.364 1.212 0 C-N-CA 126.35 1.86 . . . . 1.3600000000000001 109.526 179.886 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_exo -60.98 -18.02 55.08 Favored 'Trans proline' 0 C--N 1.368 1.595 1 C-N-CA 126.26 4.64 . . . . 1.0 116.57 172.457 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.413 ' H ' HG22 ' A' ' 49' ' ' THR . 14.0 t -86.05 -31.48 21.94 Favored 'General case' 0 C--N 1.366 1.288 0 C-N-CA 127.234 2.214 . . . . 1.1299999999999999 111.11 -178.758 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -80.8 -34.76 33.82 Favored 'General case' 0 C--N 1.371 1.535 0 O-C-N 121.014 -1.054 . . . . 1.04 112.163 178.646 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 6.4 p -70.71 -36.32 64.53 Favored 'Isoleucine or valine' 0 C--N 1.378 1.82 0 C-N-CA 125.497 1.519 . . . . 1.0700000000000001 112.707 173.766 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.04 -49.31 76.2 Favored 'General case' 0 C--N 1.369 1.451 0 C-N-CA 128.274 2.63 . . . . 1.54 113.675 170.316 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.286 5.2 mt -83.4 -7.61 10.92 Favored 'Isoleucine or valine' 0 C--N 1.368 1.403 0 N-CA-C 115.407 1.632 . . . . 1.3200000000000001 115.407 178.847 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 23.1 t90 -75.11 -42.11 57.19 Favored 'General case' 0 C--N 1.377 1.779 0 C-N-CA 125.802 1.641 . . . . 0.28000000000000003 110.976 168.728 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -85.0 -12.49 53.11 Favored 'General case' 0 C--N 1.368 1.373 0 C-N-CA 126.699 2.0 . . . . 0.46000000000000002 113.261 179.704 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 20.7 tt0 -78.16 -40.23 38.55 Favored 'General case' 0 C--N 1.36 1.045 0 C-N-CA 127.311 2.244 . . . . 1.3400000000000001 112.219 173.406 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 70.8 m-20 -87.65 -25.21 23.64 Favored 'General case' 0 C--N 1.368 1.382 0 C-N-CA 125.78 1.632 . . . . 0.56000000000000005 113.675 -175.263 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 6.4 m80 . . . . . 0 C--N 1.363 1.191 0 N-CA-C 115.909 1.818 . . . . 2.3900000000000001 115.909 -178.419 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 30.1 m . . . . . 0 CA--C 1.52 -0.179 0 N-CA-C 107.098 -1.445 . . . . 1.3100000000000001 107.098 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.7 pptp? -73.69 -13.41 60.98 Favored 'General case' 0 C--N 1.368 1.395 0 C-N-CA 127.367 2.267 . . . . 3.73 116.669 -169.157 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -78.88 -34.63 44.69 Favored 'General case' 0 C--N 1.366 1.326 0 C-N-CA 126.726 2.01 . . . . 1.1299999999999999 112.688 173.609 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 42.4 mm-40 -78.16 -41.83 33.55 Favored 'General case' 0 C--N 1.367 1.345 0 C-N-CA 128.136 2.574 . . . . 0.85999999999999999 111.038 -173.502 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 71.8 p -74.52 -30.79 61.91 Favored 'General case' 0 C--N 1.365 1.281 0 C-N-CA 126.777 2.031 . . . . 1.1200000000000001 112.147 178.812 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 49.9 t80 -64.28 -50.75 66.67 Favored 'General case' 0 C--N 1.368 1.411 0 C-N-CA 127.643 2.377 . . . . 1.22 112.855 176.252 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -75.14 -35.65 61.64 Favored 'General case' 0 C--N 1.359 1.01 0 N-CA-C 115.502 1.668 . . . . 1.0600000000000001 115.502 -176.559 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 89.3 mt -69.83 -43.48 71.92 Favored 'General case' 0 C--N 1.364 1.233 0 C-N-CA 126.329 1.852 . . . . 1.05 114.422 177.906 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 77.0 mt-10 -70.09 -31.8 69.56 Favored 'General case' 0 C--N 1.362 1.145 0 C-N-CA 126.711 2.004 . . . . 1.6599999999999999 115.279 173.802 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.6 ptm180 -77.53 -29.32 52.3 Favored 'General case' 0 C--N 1.369 1.441 0 N-CA-C 115.773 1.768 . . . . 2.54 115.773 -179.713 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.258 27.6 mmm-85 -77.56 -25.61 50.23 Favored 'General case' 0 C--N 1.369 1.445 0 C-N-CA 123.803 0.841 . . . . 1.8899999999999999 112.323 165.523 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.402 ' O ' ' HG2' ' A' ' 29' ' ' ARG . 46.6 t80 -68.8 -46.37 68.86 Favored 'General case' 0 C--N 1.375 1.706 0 C-N-CA 126.757 2.023 . . . . 0.82999999999999996 113.737 -177.52 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.402 ' HG2' ' O ' ' A' ' 28' ' ' PHE 2.348 11.3 mmm-85 -58.71 -25.71 63.16 Favored 'General case' 0 N--CA 1.496 1.866 0 C-N-CA 128.491 2.717 . . . . 4.5700000000000003 114.3 176.184 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 65.7 tp60 -97.95 -30.41 12.74 Favored 'General case' 0 C--N 1.37 1.472 0 C-N-CA 127.667 2.387 . . . . 2.5299999999999998 112.748 -177.217 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -170.96 150.52 3.13 Favored 'General case' 0 C--N 1.37 1.473 0 N-CA-C 107.086 -1.45 . . . . 2.04 107.086 -167.534 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.9 mtm105 -100.89 -34.14 9.92 Favored 'General case' 0 C--N 1.362 1.133 0 C-N-CA 125.173 1.389 . . . . 4.25 110.438 -177.937 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 58.4 m-85 -117.28 137.01 52.69 Favored 'General case' 0 C--N 1.357 0.919 0 C-N-CA 125.878 1.671 . . . . 5.9000000000000004 108.678 -179.826 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -144.26 121.72 11.7 Favored 'General case' 0 CA--C 1.495 -1.138 0 N-CA-C 101.027 -3.694 . . . . 1.23 101.027 -173.023 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.6 p -83.9 164.91 19.14 Favored 'General case' 0 C--N 1.364 1.221 0 C-N-CA 126.94 2.096 . . . . 2.04 111.081 -168.185 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -41.3 -45.23 6.9 Favored Pre-proline 0 C--N 1.366 1.307 0 N-CA-C 120.733 3.605 . . . . 1.23 120.733 -174.048 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -71.78 -29.88 15.03 Favored 'Trans proline' 0 C--N 1.36 1.149 0 C-N-CA 124.292 3.328 . . . . 1.03 114.229 177.723 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -94.51 -18.63 21.27 Favored 'General case' 0 C--N 1.364 1.211 0 C-N-CA 126.009 1.724 . . . . 1.7 113.963 176.596 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 -81.44 -40.37 23.45 Favored 'General case' 0 C--N 1.373 1.611 0 C-N-CA 127.106 2.163 . . . . 3.04 111.241 -178.107 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -84.71 -17.69 37.59 Favored 'General case' 0 C--N 1.368 1.399 0 C-N-CA 125.627 1.571 . . . . 1.74 112.135 -179.584 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 46.6 t-80 -82.0 -24.25 35.53 Favored 'General case' 0 C--N 1.366 1.293 0 C-N-CA 128.066 2.546 . . . . 2.0099999999999998 111.914 174.824 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -64.45 -50.38 67.74 Favored 'General case' 0 C--N 1.37 1.46 0 C-N-CA 129.097 2.959 . . . . 1.1899999999999999 111.892 168.763 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.91 -31.92 73.38 Favored 'General case' 0 C--N 1.357 0.935 0 C-N-CA 129.223 3.009 . . . . 1.0700000000000001 116.362 175.687 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 67.0 m -85.05 -27.11 26.58 Favored 'General case' 0 C--N 1.362 1.116 0 C-N-CA 125.762 1.625 . . . . 1.03 113.372 177.845 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 40.1 tp -77.12 -33.97 56.72 Favored 'General case' 0 C--N 1.361 1.079 0 C-N-CA 127.075 2.15 . . . . 2.3500000000000001 112.546 177.189 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.6 pt -104.76 -21.8 5.16 Favored 'Isoleucine or valine' 0 C--N 1.366 1.285 0 C-N-CA 124.348 1.059 . . . . 1.0700000000000001 112.185 -174.023 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.8 tpp180 84.99 70.06 0.01 OUTLIER 'General case' 0 C--N 1.372 1.562 0 C-N-CA 129.227 3.011 . . . . 3.6099999999999999 114.051 175.818 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 93.4 mt -139.87 -166.57 2.11 Favored 'General case' 0 C--N 1.359 0.997 0 N-CA-C 106.981 -1.488 . . . . 1.1200000000000001 106.981 169.972 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.418 HG22 ' H ' ' A' ' 51' ' ' THR . 71.3 p -98.8 144.53 28.33 Favored Pre-proline 0 C--N 1.368 1.412 0 C-N-CA 126.625 1.97 . . . . 1.3600000000000001 108.703 175.643 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_exo -61.2 -18.92 61.3 Favored 'Trans proline' 0 C--N 1.367 1.548 1 C-N-CA 126.128 4.552 . . . . 1.0 116.572 172.26 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.418 ' H ' HG22 ' A' ' 49' ' ' THR . 13.8 t -85.54 -31.0 22.94 Favored 'General case' 0 C--N 1.366 1.294 0 C-N-CA 126.997 2.119 . . . . 1.1299999999999999 111.144 -178.579 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -82.16 -32.41 30.0 Favored 'General case' 0 C--N 1.373 1.595 0 CA-C-N 119.362 0.983 . . . . 1.04 112.765 178.586 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.5 p -70.73 -36.71 66.08 Favored 'Isoleucine or valine' 0 C--N 1.376 1.743 0 C-N-CA 124.972 1.309 . . . . 1.0700000000000001 112.74 172.2 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.98 -47.62 82.44 Favored 'General case' 0 C--N 1.369 1.439 0 C-N-CA 128.04 2.536 . . . . 1.54 113.543 170.989 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.293 4.9 mt -84.45 -5.83 9.82 Favored 'Isoleucine or valine' 0 C--N 1.369 1.42 0 N-CA-C 115.219 1.562 . . . . 1.3200000000000001 115.219 177.519 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 31.0 t90 -74.53 -42.46 58.82 Favored 'General case' 0 C--N 1.376 1.743 0 C-N-CA 125.759 1.624 . . . . 0.28000000000000003 110.87 166.945 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -84.51 -12.02 55.02 Favored 'General case' 0 C--N 1.365 1.276 0 C-N-CA 126.54 1.936 . . . . 0.46000000000000002 113.588 -179.532 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -79.34 -34.71 41.93 Favored 'General case' 0 C--N 1.359 0.994 0 C-N-CA 127.377 2.271 . . . . 1.3400000000000001 111.716 170.293 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 70.4 m-20 -90.39 -40.39 12.09 Favored 'General case' 0 C--N 1.367 1.338 0 C-N-CA 126.192 1.797 . . . . 0.56000000000000005 114.051 -176.058 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 1.3 t60 . . . . . 0 C--N 1.363 1.191 0 N-CA-C 116.369 1.989 . . . . 2.3900000000000001 116.369 -166.849 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . 0.259 10.8 m . . . . . 0 CA--C 1.519 -0.228 0 N-CA-C 110.268 -0.271 . . . . 1.3100000000000001 110.268 . . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.7 pptp? -74.99 -9.92 58.99 Favored 'General case' 0 C--N 1.369 1.442 0 N-CA-C 117.473 2.397 . . . . 3.73 117.473 -162.233 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -83.59 -42.74 16.42 Favored 'General case' 0 C--N 1.363 1.157 0 C-N-CA 125.826 1.65 . . . . 1.1299999999999999 111.736 168.671 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 50.2 mm-40 -73.52 -46.23 49.01 Favored 'General case' 0 C--N 1.368 1.41 0 C-N-CA 128.451 2.7 . . . . 0.85999999999999999 112.104 -174.425 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 67.4 p -65.92 -40.48 91.48 Favored 'General case' 0 C--N 1.373 1.618 0 C-N-CA 127.896 2.478 . . . . 1.1200000000000001 111.941 179.053 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -56.13 -56.58 19.21 Favored 'General case' 0 C--N 1.367 1.328 0 C-N-CA 128.332 2.653 . . . . 1.22 113.433 175.981 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.416 ' HA ' ' HG2' ' A' ' 26' ' ' ARG . 65.5 mm-40 -67.25 -35.84 80.37 Favored 'General case' 0 C--N 1.37 1.466 0 N-CA-C 115.397 1.629 . . . . 1.0600000000000001 115.397 -176.407 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 96.3 mt -66.78 -38.02 85.72 Favored 'General case' 0 C--N 1.365 1.247 0 C-N-CA 126.606 1.962 . . . . 1.05 116.002 178.126 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -75.87 -28.67 58.25 Favored 'General case' 0 C--N 1.358 0.935 0 C-N-CA 128.091 2.556 . . . . 1.6599999999999999 114.355 175.314 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.416 ' HG2' ' HA ' ' A' ' 23' ' ' GLU 0.254 0.5 OUTLIER -64.75 -50.15 67.97 Favored 'General case' 0 C--N 1.377 1.804 0 C-N-CA 125.263 1.425 . . . . 2.54 112.545 173.75 . . . . . . . . 4 4 . 1 . 025 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.14 -38.38 82.93 Favored 'General case' 0 C--N 1.384 2.108 0 N-CA-C 115.727 1.751 . . . . 1.8899999999999999 115.727 170.823 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -68.28 -25.04 64.96 Favored 'General case' 0 C--N 1.377 1.774 0 C-N-CA 125.65 1.58 . . . . 0.82999999999999996 114.32 -177.572 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 17.1 mmm-85 -72.21 -36.59 69.22 Favored 'General case' 0 C--N 1.366 1.286 0 C-N-CA 126.742 2.017 . . . . 4.5700000000000003 114.495 173.441 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 65.7 tp60 -94.75 -27.6 15.72 Favored 'General case' 0 N--CA 1.433 -1.295 0 C-N-CA 128.162 2.585 . . . . 2.5299999999999998 113.06 -172.579 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -167.52 158.79 11.67 Favored 'General case' 0 C--N 1.365 1.244 0 N-CA-C 107.516 -1.29 . . . . 2.04 107.516 -165.821 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 12.2 mtm105 -105.22 -37.48 6.87 Favored 'General case' 0 C--N 1.366 1.31 0 C-N-CA 124.878 1.271 . . . . 4.25 109.745 173.85 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 42.0 p90 -113.23 143.44 44.4 Favored 'General case' 0 C--N 1.36 1.058 0 C-N-CA 127.033 2.133 . . . . 5.9000000000000004 109.315 -175.249 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -154.89 123.11 5.92 Favored 'General case' 0 N--CA 1.443 -0.796 0 N-CA-C 102.912 -2.995 . . . . 1.23 102.912 -170.938 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 8.2 m -81.98 163.03 22.43 Favored 'General case' 0 C--N 1.371 1.523 0 C-N-CA 126.805 2.042 . . . . 2.04 111.407 -170.43 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.65 -37.5 32.22 Favored Pre-proline 0 C--N 1.367 1.348 0 N-CA-C 120.21 3.411 . . . . 1.23 120.21 -172.908 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -67.23 -29.59 38.84 Favored 'Trans proline' 0 C--N 1.362 1.264 0 C-N-CA 124.406 3.404 . . . . 1.03 115.173 174.447 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -101.26 -20.35 15.29 Favored 'General case' 0 C--N 1.363 1.156 0 C-N-CA 125.941 1.697 . . . . 1.7 114.665 176.289 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 46.0 ttp85 -80.64 -42.9 21.35 Favored 'General case' 0 C--N 1.374 1.651 0 C-N-CA 125.97 1.708 . . . . 3.04 111.374 -176.961 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 77.4 mt-10 -84.07 -18.07 38.19 Favored 'General case' 0 C--N 1.367 1.346 0 C-N-CA 126.311 1.844 . . . . 1.74 111.738 -176.71 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 78.3 t60 -85.06 -23.44 28.57 Favored 'General case' 0 C--N 1.365 1.278 0 C-N-CA 127.991 2.517 . . . . 2.0099999999999998 111.416 176.199 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -73.25 -34.31 65.77 Favored 'General case' 0 C--N 1.37 1.475 0 C-N-CA 128.03 2.532 . . . . 1.1899999999999999 111.856 169.097 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -76.78 -28.92 55.85 Favored 'General case' 0 C--N 1.362 1.123 0 C-N-CA 127.2 2.2 . . . . 1.0700000000000001 113.847 174.568 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 71.0 m -81.18 -33.14 33.24 Favored 'General case' 0 C--N 1.361 1.095 0 C-N-CA 125.098 1.359 . . . . 1.03 114.09 178.541 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 85.5 mt -85.07 -24.23 28.2 Favored 'General case' 0 C--N 1.359 1.018 0 C-N-CA 125.953 1.701 . . . . 2.3500000000000001 113.294 177.355 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . 0.255 1.0 OUTLIER -96.39 -19.61 6.1 Favored 'Isoleucine or valine' 0 C--N 1.37 1.469 0 CA-C-N 118.994 0.815 . . . . 1.0700000000000001 112.334 176.19 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 38.1 tpt85 86.72 51.91 0.01 OUTLIER 'General case' 0 C--N 1.371 1.524 0 C-N-CA 128.999 2.919 . . . . 3.6099999999999999 112.639 167.685 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 85.1 mt -134.85 -167.57 2.01 Favored 'General case' 0 C--N 1.359 1.013 0 N-CA-C 106.71 -1.589 . . . . 1.1200000000000001 106.71 176.208 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 81.9 p -102.09 145.44 30.5 Favored Pre-proline 0 C--N 1.365 1.281 0 C-N-CA 125.987 1.715 . . . . 1.3600000000000001 108.393 -177.129 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_exo -61.5 -18.64 60.78 Favored 'Trans proline' 0 C--N 1.366 1.454 1 C-N-CA 126.127 4.552 . . . . 1.0 116.559 172.524 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 14.3 t -89.3 -30.19 18.63 Favored 'General case' 0 C--N 1.363 1.172 0 C-N-CA 126.635 1.974 . . . . 1.1299999999999999 110.921 -176.355 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -80.94 -33.18 34.18 Favored 'General case' 0 C--N 1.375 1.679 0 C-N-CA 124.672 1.189 . . . . 1.04 111.839 177.644 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.2 p -70.21 -39.93 77.47 Favored 'Isoleucine or valine' 0 C--N 1.382 1.988 0 C-N-CA 125.419 1.488 . . . . 1.0700000000000001 111.204 174.749 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.42 -33.74 76.56 Favored 'General case' 0 C--N 1.367 1.356 0 N-CA-C 115.568 1.692 . . . . 1.54 115.568 171.457 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.317 0.5 OUTLIER -80.51 -9.69 12.13 Favored 'Isoleucine or valine' 0 C--N 1.386 2.16 0 CA-C-N 121.671 2.032 . . . . 1.3200000000000001 114.886 167.475 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 17.1 t90 -74.97 -37.05 62.02 Favored 'General case' 0 C--N 1.376 1.723 0 CA-C-N 120.891 1.678 . . . . 0.28000000000000003 111.714 170.217 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 -85.09 -12.38 53.11 Favored 'General case' 0 C--N 1.367 1.342 0 C-N-CA 127.547 2.339 . . . . 0.46000000000000002 113.523 177.671 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -70.03 -40.84 74.94 Favored 'General case' 0 C--N 1.367 1.357 0 C-N-CA 127.981 2.512 . . . . 1.3400000000000001 112.091 163.926 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -91.62 -23.58 19.81 Favored 'General case' 0 C--N 1.367 1.327 0 C-N-CA 126.293 1.837 . . . . 0.56000000000000005 113.785 -171.143 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . 2.221 46.5 t60 . . . . . 0 C--N 1.375 1.691 0 C-N-CA 125.954 1.702 . . . . 2.3900000000000001 112.8 -178.076 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.3 m . . . . . 0 CA--C 1.518 -0.276 0 N-CA-C 107.895 -1.15 . . . . 1.3100000000000001 107.895 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.03 0.03 29.39 Favored 'General case' 0 C--N 1.37 1.463 0 C-N-CA 127.091 2.156 . . . . 3.73 116.634 -167.258 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.33 -43.15 15.06 Favored 'General case' 0 C--N 1.363 1.164 0 C-N-CA 126.204 1.802 . . . . 1.1299999999999999 112.102 165.98 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 41.3 mm-40 -77.4 -44.82 27.91 Favored 'General case' 0 C--N 1.367 1.357 0 C-N-CA 128.394 2.678 . . . . 0.85999999999999999 111.395 -171.107 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 81.1 p -66.02 -33.53 76.02 Favored 'General case' 0 C--N 1.37 1.463 0 C-N-CA 127.755 2.422 . . . . 1.1200000000000001 113.364 174.727 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 56.6 t80 -64.7 -49.87 69.21 Favored 'General case' 0 C--N 1.368 1.382 0 C-N-CA 127.703 2.401 . . . . 1.22 113.343 178.437 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -71.54 -35.68 70.73 Favored 'General case' 0 C--N 1.361 1.073 0 C-N-CA 126.217 1.807 . . . . 1.0600000000000001 115.627 -178.594 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 93.5 mt -71.49 -40.08 70.43 Favored 'General case' 0 C--N 1.361 1.094 0 C-N-CA 126.329 1.851 . . . . 1.05 115.193 178.819 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -69.82 -33.24 72.05 Favored 'General case' 0 C--N 1.361 1.079 0 C-N-CA 127.363 2.265 . . . . 1.6599999999999999 115.117 171.809 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -76.78 -27.0 55.12 Favored 'General case' 0 C--N 1.371 1.507 0 N-CA-C 116.101 1.889 . . . . 2.54 116.101 178.228 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.26 41.7 mmm-85 -75.41 -31.14 60.3 Favored 'General case' 0 C--N 1.368 1.389 0 C-N-CA 123.496 0.719 . . . . 1.8899999999999999 112.166 165.619 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -69.28 -23.97 63.91 Favored 'General case' 0 C--N 1.374 1.648 0 C-N-CA 126.568 1.947 . . . . 0.82999999999999996 113.965 -178.363 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 19.3 mmm-85 -74.33 -42.56 59.22 Favored 'General case' 0 C--N 1.365 1.282 0 C-N-CA 127.093 2.157 . . . . 4.5700000000000003 114.324 174.585 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 64.3 tp60 -92.45 -23.36 19.18 Favored 'General case' 0 C--N 1.36 1.064 0 C-N-CA 128.079 2.552 . . . . 2.5299999999999998 113.006 -172.27 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -158.45 156.59 30.63 Favored 'General case' 0 C--N 1.363 1.169 0 N-CA-C 106.64 -1.615 . . . . 2.04 106.64 -177.459 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 15.2 mtm105 -105.15 -33.3 8.31 Favored 'General case' 0 C--N 1.366 1.289 0 C-N-CA 124.991 1.316 . . . . 4.25 108.597 -179.857 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 49.9 p90 -125.87 146.49 49.8 Favored 'General case' 0 N--CA 1.437 -1.092 0 C-N-CA 127.539 2.336 . . . . 5.9000000000000004 106.843 -178.651 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -153.19 123.55 7.11 Favored 'General case' 0 CA--C 1.499 -0.986 0 N-CA-C 102.816 -3.031 . . . . 1.23 102.816 -170.845 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 29.1 p -93.59 160.75 14.64 Favored 'General case' 0 C--N 1.365 1.239 0 C-N-CA 127.178 2.191 . . . . 2.04 110.735 -165.784 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . 0.256 . . -44.25 -43.73 16.31 Favored Pre-proline 0 C--N 1.367 1.359 0 N-CA-C 120.587 3.551 . . . . 1.23 120.587 -164.967 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_exo -67.27 -34.04 28.7 Favored 'Trans proline' 0 C--N 1.359 1.12 0 C-N-CA 124.253 3.302 . . . . 1.03 115.281 177.887 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -95.44 -20.15 19.3 Favored 'General case' 0 C--N 1.365 1.26 0 C-N-CA 126.551 1.941 . . . . 1.7 113.395 178.554 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 -83.92 -35.18 24.24 Favored 'General case' 0 C--N 1.375 1.695 0 CA-C-N 120.082 1.31 . . . . 3.04 111.956 -175.833 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -81.32 -16.12 53.37 Favored 'General case' 0 C--N 1.373 1.628 0 C-N-CA 126.719 2.007 . . . . 1.74 111.666 176.56 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 46.4 t-80 -80.79 -28.49 36.32 Favored 'General case' 0 C--N 1.366 1.296 0 C-N-CA 128.375 2.67 . . . . 2.0099999999999998 111.666 174.695 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -73.44 -33.77 65.08 Favored 'General case' 0 C--N 1.37 1.461 0 C-N-CA 128.224 2.61 . . . . 1.1899999999999999 112.293 171.944 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -78.86 -27.07 44.05 Favored 'General case' 0 C--N 1.363 1.172 0 C-N-CA 127.221 2.208 . . . . 1.0700000000000001 113.886 175.061 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 75.7 m -83.35 -25.29 31.55 Favored 'General case' 0 C--N 1.359 1.018 0 C-N-CA 126.006 1.722 . . . . 1.03 112.522 175.238 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 48.2 tp -74.3 -39.89 62.6 Favored 'General case' 0 C--N 1.362 1.132 0 C-N-CA 128.007 2.523 . . . . 2.3500000000000001 112.421 174.554 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.7 pt -103.84 -15.69 8.02 Favored 'Isoleucine or valine' 0 C--N 1.367 1.35 0 N-CA-C 113.505 0.928 . . . . 1.0700000000000001 113.505 -173.978 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 23.2 tpt180 88.5 57.03 0.01 OUTLIER 'General case' 0 C--N 1.369 1.415 0 C-N-CA 129.394 3.078 . . . . 3.6099999999999999 113.935 169.979 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 94.5 mt -134.65 -171.45 2.78 Favored 'General case' 0 C--N 1.361 1.094 0 C-N-CA 124.987 1.315 . . . . 1.1200000000000001 108.089 175.527 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 31.8 p -110.22 158.75 34.33 Favored Pre-proline 0 C--N 1.368 1.381 0 C-N-CA 126.526 1.93 . . . . 1.3600000000000001 110.289 179.933 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 78.6 Cg_exo -65.91 -19.5 58.3 Favored 'Trans proline' 0 C--N 1.371 1.715 1 C-N-CA 125.679 4.252 . . . . 1.0 117.466 -176.711 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 14.1 t -88.72 -29.1 20.09 Favored 'General case' 0 C--N 1.365 1.253 0 C-N-CA 125.711 1.605 . . . . 1.1299999999999999 111.685 -175.888 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -84.81 -32.71 23.17 Favored 'General case' 0 C--N 1.368 1.387 0 C-N-CA 124.269 1.028 . . . . 1.04 112.39 179.031 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 8.0 p -67.41 -42.88 87.78 Favored 'Isoleucine or valine' 0 C--N 1.38 1.92 0 C-N-CA 124.055 0.942 . . . . 1.0700000000000001 112.211 169.007 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.24 -37.26 86.84 Favored 'General case' 0 C--N 1.366 1.311 0 C-N-CA 127.128 2.171 . . . . 1.54 115.797 172.626 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.362 0.5 OUTLIER -77.38 -10.75 13.29 Favored 'Isoleucine or valine' 0 C--N 1.383 2.053 0 CA-C-N 121.397 1.908 . . . . 1.3200000000000001 114.605 169.463 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 17.8 t90 -75.03 -41.22 59.65 Favored 'General case' 0 C--N 1.372 1.569 0 CA-C-N 120.355 1.434 . . . . 0.28000000000000003 112.409 169.294 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 -85.14 -7.02 59.26 Favored 'General case' 0 C--N 1.367 1.357 0 C-N-CA 126.205 1.802 . . . . 0.46000000000000002 113.084 178.389 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -71.41 -43.36 66.94 Favored 'General case' 0 C--N 1.364 1.226 0 C-N-CA 128.278 2.631 . . . . 1.3400000000000001 112.326 162.901 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -90.46 -34.45 15.59 Favored 'General case' 0 C--N 1.366 1.313 0 C-N-CA 126.415 1.886 . . . . 0.56000000000000005 114.233 -168.89 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 3.0 t60 . . . . . 0 C--N 1.361 1.088 0 N-CA-C 115.378 1.622 . . . . 2.3900000000000001 115.378 -167.636 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 43.9 m . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 106.589 -1.634 . . . . 1.3100000000000001 106.589 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.84 -8.27 57.02 Favored 'General case' 0 C--N 1.37 1.459 0 C-N-CA 127.12 2.168 . . . . 3.73 116.376 -170.401 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.9 -34.29 51.55 Favored 'General case' 0 C--N 1.367 1.333 0 C-N-CA 126.804 2.042 . . . . 1.1299999999999999 112.703 171.554 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 42.9 mm-40 -77.39 -51.38 10.91 Favored 'General case' 0 C--N 1.366 1.304 0 C-N-CA 128.695 2.798 . . . . 0.85999999999999999 110.545 -171.929 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 75.6 p -64.93 -33.5 76.17 Favored 'General case' 0 C--N 1.368 1.397 0 C-N-CA 127.484 2.314 . . . . 1.1200000000000001 112.974 177.294 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -59.75 -64.48 0.93 Allowed 'General case' 0 C--N 1.372 1.569 0 C-N-CA 128.217 2.607 . . . . 1.22 112.928 175.023 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -67.28 -32.59 73.7 Favored 'General case' 0 C--N 1.375 1.711 0 N-CA-C 115.022 1.489 . . . . 1.0600000000000001 115.022 -174.029 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 98.1 mt -67.85 -39.25 83.83 Favored 'General case' 0 C--N 1.361 1.106 0 N-CA-C 116.039 1.866 . . . . 1.05 116.039 176.93 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -75.25 -29.25 60.14 Favored 'General case' 0 C--N 1.361 1.08 0 C-N-CA 126.904 2.082 . . . . 1.6599999999999999 114.597 177.659 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.8 mtm180 -69.17 -49.99 51.67 Favored 'General case' 0 C--N 1.374 1.649 0 C-N-CA 124.561 1.144 . . . . 2.54 112.181 176.574 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.456 0.0 OUTLIER -85.38 0.96 50.56 Favored 'General case' 0 C--N 1.375 1.705 0 N-CA-C 114.162 1.171 . . . . 1.8899999999999999 114.162 179.457 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -78.03 -35.72 49.41 Favored 'General case' 0 C--N 1.374 1.658 0 C-N-CA 125.803 1.641 . . . . 0.82999999999999996 113.206 162.46 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.3 mmm-85 -72.74 -33.82 66.64 Favored 'General case' 0 C--N 1.371 1.521 0 C-N-CA 125.859 1.664 . . . . 4.5700000000000003 114.442 172.978 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 67.1 tp60 -91.82 -26.64 18.43 Favored 'General case' 0 N--CA 1.433 -1.321 0 C-N-CA 127.968 2.507 . . . . 2.5299999999999998 112.695 -175.821 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 18.7 mm100 -143.33 137.62 28.91 Favored 'General case' 0 C--N 1.368 1.377 0 N-CA-C 107.812 -1.181 . . . . 2.04 107.812 -178.397 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . 2.131 0.4 OUTLIER -105.02 67.47 0.79 Allowed 'General case' 0 N--CA 1.5 2.042 0 C-N-CA 127.478 2.311 . . . . 4.25 110.046 154.576 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . 0.381 0.3 OUTLIER -148.24 -108.64 0.08 Allowed 'General case' 0 C--N 1.365 1.241 0 CA-C-O 115.842 -2.028 . . . . 5.9000000000000004 111.829 -167.316 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -135.22 158.5 44.21 Favored 'General case' 0 C--N 1.381 1.97 3 C-N-CA 141.266 7.826 . . . . 1.23 97.702 19.38 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 27.9 p -84.53 149.75 25.7 Favored 'General case' 0 C--N 1.375 1.696 0 O-C-N 119.632 -1.918 . . . . 2.04 111.125 -170.902 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.73 -39.24 75.94 Favored Pre-proline 0 C--N 1.365 1.256 0 N-CA-C 119.602 3.186 . . . . 1.23 119.602 -167.358 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_exo -66.49 -26.33 47.45 Favored 'Trans proline' 0 C--N 1.364 1.35 0 C-N-CA 124.748 3.632 . . . . 1.03 115.474 173.826 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -99.55 -14.36 19.06 Favored 'General case' 0 C--N 1.364 1.221 0 C-N-CA 125.76 1.624 . . . . 1.7 114.082 174.239 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.2 ptt180 -85.83 -40.5 15.94 Favored 'General case' 0 C--N 1.375 1.717 0 CA-C-N 121.315 1.87 . . . . 3.04 112.384 -176.403 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -77.13 -27.63 54.04 Favored 'General case' 0 C--N 1.37 1.469 0 C-N-CA 128.82 2.848 . . . . 1.74 111.669 178.266 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 42.7 t-80 -83.94 -25.15 30.34 Favored 'General case' 0 C--N 1.367 1.343 0 C-N-CA 127.625 2.37 . . . . 2.0099999999999998 111.456 -178.477 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -74.88 -31.78 61.69 Favored 'General case' 0 C--N 1.368 1.381 0 C-N-CA 128.127 2.571 . . . . 1.1899999999999999 112.052 170.91 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.5 -27.61 58.85 Favored 'General case' 0 C--N 1.364 1.203 0 C-N-CA 127.216 2.206 . . . . 1.0700000000000001 113.202 173.15 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 49.5 m -85.01 -27.45 26.41 Favored 'General case' 0 C--N 1.361 1.103 0 C-N-CA 126.196 1.798 . . . . 1.03 114.03 173.494 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 50.7 tp -74.39 -39.49 62.65 Favored 'General case' 0 C--N 1.362 1.152 0 C-N-CA 127.52 2.328 . . . . 2.3500000000000001 112.391 179.317 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.9 pt -106.21 -17.75 7.49 Favored 'Isoleucine or valine' 0 C--N 1.363 1.178 0 C-N-CA 124.078 0.951 . . . . 1.0700000000000001 112.099 -173.963 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 12.7 tpp180 87.74 65.01 0.01 OUTLIER 'General case' 0 C--N 1.374 1.656 0 C-N-CA 128.654 2.782 . . . . 3.6099999999999999 113.999 168.581 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 96.8 mt -138.3 -173.46 3.54 Favored 'General case' 0 C--N 1.36 1.062 0 C-N-CA 124.389 1.076 . . . . 1.1200000000000001 108.461 176.383 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.448 HG22 ' H ' ' A' ' 51' ' ' THR . 80.2 p -90.67 144.28 30.24 Favored Pre-proline 0 C--N 1.371 1.532 0 C-N-CA 126.273 1.829 . . . . 1.3600000000000001 109.715 175.447 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -62.07 -21.05 71.74 Favored 'Trans proline' 0 C--N 1.362 1.237 1 C-N-CA 126.032 4.488 . . . . 1.0 116.52 172.876 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.448 ' H ' HG22 ' A' ' 49' ' ' THR . 13.5 t -86.33 -27.25 24.43 Favored 'General case' 0 C--N 1.366 1.297 0 C-N-CA 126.082 1.753 . . . . 1.1299999999999999 111.114 -178.588 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -81.73 -32.45 31.57 Favored 'General case' 0 C--N 1.373 1.628 0 CA-C-N 119.185 0.902 . . . . 1.04 112.9 177.171 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.2 p -70.64 -38.35 72.9 Favored 'Isoleucine or valine' 0 C--N 1.376 1.751 0 C-N-CA 125.284 1.434 . . . . 1.0700000000000001 112.566 174.139 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.49 -50.61 72.51 Favored 'General case' 0 C--N 1.375 1.693 0 C-N-CA 126.895 2.078 . . . . 1.54 114.615 171.139 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.276 6.9 mt -84.1 -2.26 6.9 Favored 'Isoleucine or valine' 0 C--N 1.369 1.444 0 N-CA-C 114.642 1.349 . . . . 1.3200000000000001 114.642 177.623 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 31.9 t90 -74.43 -42.04 59.83 Favored 'General case' 0 C--N 1.379 1.858 0 C-N-CA 126.046 1.738 . . . . 0.28000000000000003 110.419 165.916 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -76.22 -19.56 58.27 Favored 'General case' 0 C--N 1.371 1.513 0 C-N-CA 125.005 1.322 . . . . 0.46000000000000002 113.628 175.946 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 18.8 tt0 -78.36 -35.98 46.69 Favored 'General case' 0 C--N 1.363 1.163 0 C-N-CA 127.153 2.181 . . . . 1.3400000000000001 112.996 173.135 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 60.0 m-20 -95.02 -26.63 16.0 Favored 'General case' 0 C--N 1.368 1.377 0 C-N-CA 125.474 1.51 . . . . 0.56000000000000005 114.083 -174.679 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 2.0 t60 . . . . . 0 C--N 1.367 1.344 0 C-N-CA 124.892 1.277 . . . . 2.3900000000000001 113.564 -175.591 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.6 m . . . . . 0 CA--C 1.52 -0.181 0 N-CA-C 107.521 -1.288 . . . . 1.3100000000000001 107.521 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.9 pttm -78.42 -6.58 55.69 Favored 'General case' 0 C--N 1.367 1.363 0 C-N-CA 127.24 2.216 . . . . 3.73 115.971 -171.501 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -78.96 -39.43 34.43 Favored 'General case' 0 C--N 1.366 1.307 0 C-N-CA 126.751 2.02 . . . . 1.1299999999999999 112.422 169.627 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 41.1 mm-40 -75.43 -46.42 32.84 Favored 'General case' 0 C--N 1.366 1.308 0 C-N-CA 128.782 2.833 . . . . 0.85999999999999999 111.834 -171.675 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 57.0 p -76.12 -27.93 57.27 Favored 'General case' 0 C--N 1.364 1.201 0 C-N-CA 126.413 1.885 . . . . 1.1200000000000001 111.95 -177.728 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 50.0 t80 -64.87 -52.45 56.5 Favored 'General case' 0 C--N 1.369 1.436 0 C-N-CA 127.595 2.358 . . . . 1.22 112.689 174.943 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -75.17 -33.29 61.46 Favored 'General case' 0 C--N 1.36 1.034 0 N-CA-C 115.84 1.792 . . . . 1.0600000000000001 115.84 -176.493 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 87.0 mt -72.71 -44.31 61.89 Favored 'General case' 0 C--N 1.363 1.161 0 C-N-CA 126.074 1.749 . . . . 1.05 114.535 178.198 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -69.81 -31.65 69.65 Favored 'General case' 0 C--N 1.364 1.226 0 C-N-CA 126.746 2.018 . . . . 1.6599999999999999 115.07 173.935 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.5 ptm180 -78.81 -29.03 44.58 Favored 'General case' 0 C--N 1.371 1.519 0 N-CA-C 115.085 1.513 . . . . 2.54 115.085 179.954 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 30.8 mmm-85 -79.72 -22.22 43.61 Favored 'General case' 0 C--N 1.369 1.42 0 C-N-CA 124.017 0.927 . . . . 1.8899999999999999 112.857 165.776 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -78.29 -32.43 49.41 Favored 'General case' 0 C--N 1.365 1.251 0 O-C-N 120.134 -1.604 . . . . 0.82999999999999996 114.048 179.308 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 11.4 mmt85 -79.53 -44.56 20.94 Favored 'General case' 0 C--N 1.366 1.298 0 C-N-CA 125.56 1.544 . . . . 4.5700000000000003 114.094 178.824 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 66.1 tp60 -90.98 -18.24 24.98 Favored 'General case' 0 C--N 1.363 1.167 0 C-N-CA 127.297 2.239 . . . . 2.5299999999999998 112.494 -173.478 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -142.59 178.98 7.25 Favored 'General case' 0 C--N 1.36 1.05 0 N-CA-C 108.451 -0.944 . . . . 2.04 108.451 -172.327 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 72.2 mtt85 -105.53 -77.57 0.59 Allowed 'General case' 0 C--N 1.367 1.355 0 N-CA-C 106.505 -1.665 . . . . 4.25 106.505 120.676 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . 0.382 15.6 t80 86.94 -55.98 0.05 OUTLIER 'General case' 0 C--N 1.361 1.081 1 C-N-CA 133.633 4.773 . . . . 5.9000000000000004 113.206 149.233 . . . . . . . . 3 2 . 1 . 028 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . 0.276 0.0 OUTLIER -58.65 107.84 0.56 Allowed 'General case' 0 C--N 1.354 0.799 0 C-N-CA 130.999 3.72 . . . . 1.23 114.146 178.32 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.4 t -110.46 -175.96 2.86 Favored 'General case' 0 C--N 1.363 1.189 0 N-CA-C 104.936 -2.246 . . . . 2.04 104.936 176.113 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . 0.255 . . -47.5 -45.78 57.99 Favored Pre-proline 0 C--N 1.365 1.264 0 N-CA-C 120.257 3.429 . . . . 1.23 120.257 -164.262 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_exo -68.83 -34.34 18.36 Favored 'Trans proline' 0 C--N 1.36 1.166 0 C-N-CA 124.285 3.323 . . . . 1.03 114.686 178.497 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -93.84 -13.11 27.63 Favored 'General case' 0 C--N 1.364 1.206 0 C-N-CA 126.53 1.932 . . . . 1.7 113.809 179.529 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 52.4 ttp180 -83.99 -28.5 27.69 Favored 'General case' 0 C--N 1.371 1.538 0 C-N-CA 127.007 2.123 . . . . 3.04 111.873 174.428 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 58.4 mm-40 -78.85 -21.52 47.46 Favored 'General case' 0 C--N 1.371 1.519 0 C-N-CA 126.696 1.998 . . . . 1.74 112.279 173.174 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 24.6 t60 -83.58 -28.21 28.7 Favored 'General case' 0 C--N 1.363 1.191 0 C-N-CA 128.015 2.526 . . . . 2.0099999999999998 111.35 177.983 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.52 -52.02 30.24 Favored 'General case' 0 C--N 1.37 1.465 0 C-N-CA 129.323 3.049 . . . . 1.1899999999999999 111.49 174.279 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.31 -32.16 73.67 Favored 'General case' 0 C--N 1.356 0.876 0 C-N-CA 129.849 3.26 . . . . 1.0700000000000001 116.07 177.355 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 75.5 m -85.17 -28.63 25.35 Favored 'General case' 0 C--N 1.362 1.132 0 C-N-CA 125.399 1.48 . . . . 1.03 113.568 176.584 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 37.0 tp -74.05 -34.27 64.01 Favored 'General case' 0 C--N 1.361 1.069 0 C-N-CA 126.17 1.788 . . . . 2.3500000000000001 113.321 175.529 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . 0.25 1.5 pt -106.13 -20.75 5.8 Favored 'Isoleucine or valine' 0 C--N 1.365 1.275 0 C-N-CA 124.506 1.122 . . . . 1.0700000000000001 112.162 -173.074 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.7 tpp180 94.78 58.59 0.0 OUTLIER 'General case' 0 C--N 1.378 1.822 0 C-N-CA 130.38 3.472 . . . . 3.6099999999999999 115.162 165.712 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 90.8 mt -130.85 -171.44 2.57 Favored 'General case' 0 C--N 1.358 0.977 0 O-C-N 120.85 -1.156 . . . . 1.1200000000000001 110.044 179.72 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 79.6 p -95.78 147.03 32.35 Favored Pre-proline 0 C--N 1.368 1.372 0 C-N-CA 127.814 2.445 . . . . 1.3600000000000001 108.786 177.897 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -61.11 -22.27 74.18 Favored 'Trans proline' 0 C--N 1.364 1.38 1 C-N-CA 126.146 4.564 . . . . 1.0 116.51 172.69 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.6 t -88.07 -27.34 22.03 Favored 'General case' 0 C--N 1.367 1.33 0 C-N-CA 126.017 1.727 . . . . 1.1299999999999999 111.125 -176.214 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -83.39 -33.25 25.81 Favored 'General case' 0 C--N 1.37 1.475 0 CA-C-N 119.681 1.128 . . . . 1.04 112.381 177.728 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.1 p -68.68 -40.58 81.84 Favored 'Isoleucine or valine' 0 C--N 1.379 1.856 0 C-N-CA 125.421 1.489 . . . . 1.0700000000000001 113.496 172.357 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.66 -50.17 74.07 Favored 'General case' 0 C--N 1.375 1.691 0 C-N-CA 129.013 2.925 . . . . 1.54 113.282 173.014 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.278 6.4 mt -85.83 -5.5 9.9 Favored 'Isoleucine or valine' 0 C--N 1.367 1.352 0 N-CA-C 114.758 1.392 . . . . 1.3200000000000001 114.758 -179.29 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 13.6 t90 -75.71 -44.0 44.22 Favored 'General case' 0 C--N 1.379 1.882 0 C-N-CA 125.397 1.479 . . . . 0.28000000000000003 110.626 168.88 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -82.99 -14.61 53.7 Favored 'General case' 0 C--N 1.372 1.574 0 C-N-CA 125.773 1.629 . . . . 0.46000000000000002 113.347 179.226 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -74.33 -41.25 61.42 Favored 'General case' 0 C--N 1.361 1.097 0 C-N-CA 126.946 2.099 . . . . 1.3400000000000001 113.279 172.736 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 50.4 m-20 -90.1 -23.4 21.4 Favored 'General case' 0 C--N 1.367 1.33 0 C-N-CA 125.91 1.684 . . . . 0.56000000000000005 113.633 -172.075 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 11.4 m80 . . . . . 0 C--N 1.365 1.242 0 C-N-CA 126.476 1.91 . . . . 2.3900000000000001 115.411 -179.339 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.9 m . . . . . 0 CA--C 1.521 -0.161 0 N-CA-C 107.763 -1.199 . . . . 1.3100000000000001 107.763 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.9 pptp? -75.66 -11.65 60.05 Favored 'General case' 0 C--N 1.368 1.391 0 C-N-CA 127.319 2.248 . . . . 3.73 116.046 -170.82 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -79.53 -37.09 37.38 Favored 'General case' 0 C--N 1.367 1.342 0 C-N-CA 126.863 2.065 . . . . 1.1299999999999999 112.575 172.54 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 45.9 mm-40 -75.56 -43.57 47.85 Favored 'General case' 0 C--N 1.368 1.395 0 C-N-CA 128.548 2.739 . . . . 0.85999999999999999 111.405 -174.516 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 61.0 p -73.31 -32.97 64.92 Favored 'General case' 0 C--N 1.366 1.319 0 C-N-CA 126.785 2.034 . . . . 1.1200000000000001 112.463 179.799 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -64.17 -50.36 68.46 Favored 'General case' 0 C--N 1.369 1.421 0 C-N-CA 127.798 2.439 . . . . 1.22 112.976 177.115 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -73.64 -35.6 65.31 Favored 'General case' 0 C--N 1.359 0.99 0 N-CA-C 115.394 1.628 . . . . 1.0600000000000001 115.394 -177.259 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 90.8 mt -70.43 -42.55 71.41 Favored 'General case' 0 C--N 1.363 1.186 0 C-N-CA 126.189 1.795 . . . . 1.05 114.667 178.509 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -68.47 -33.52 74.31 Favored 'General case' 0 C--N 1.363 1.167 0 C-N-CA 126.872 2.069 . . . . 1.6599999999999999 115.299 171.974 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.5 ptm180 -78.55 -27.03 45.79 Favored 'General case' 0 C--N 1.366 1.323 0 N-CA-C 115.896 1.813 . . . . 2.54 115.896 -177.544 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.269 1.6 mmm180 -78.07 -31.08 50.01 Favored 'General case' 0 C--N 1.369 1.442 0 C-N-CA 123.734 0.814 . . . . 1.8899999999999999 112.016 164.029 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -70.65 -25.44 63.01 Favored 'General case' 0 C--N 1.371 1.534 0 C-N-CA 126.932 2.093 . . . . 0.82999999999999996 114.52 -178.578 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 37.3 mmt-85 -79.31 -37.98 36.39 Favored 'General case' 0 C--N 1.366 1.326 0 C-N-CA 125.599 1.56 . . . . 4.5700000000000003 113.3 178.899 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 62.3 tp60 -91.14 -25.08 19.76 Favored 'General case' 0 C--N 1.364 1.225 0 C-N-CA 127.983 2.513 . . . . 2.5299999999999998 112.632 -175.116 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -159.66 154.12 23.99 Favored 'General case' 0 C--N 1.364 1.213 0 N-CA-C 107.297 -1.371 . . . . 2.04 107.297 -172.502 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 77.9 mtt85 -105.17 -35.69 7.51 Favored 'General case' 0 C--N 1.36 1.026 0 C-N-CA 125.163 1.385 . . . . 4.25 109.734 -179.634 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 -116.83 137.77 51.97 Favored 'General case' 0 C--N 1.358 0.977 0 C-N-CA 126.301 1.84 . . . . 5.9000000000000004 109.034 -178.222 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -148.26 116.2 6.41 Favored 'General case' 0 CA--C 1.5 -0.975 0 C-N-CA 128.843 2.857 . . . . 1.23 103.96 -174.459 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . 2.311 15.1 t -96.7 177.18 5.73 Favored 'General case' 0 C--N 1.375 1.701 0 C-N-CA 127.358 2.263 . . . . 2.04 107.259 -170.127 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . 2.281 . . -9.73 -76.32 0.0 OUTLIER Pre-proline 0 C--N 1.361 1.101 2 C-N-CA 133.015 4.526 . . . . 1.23 122.558 -178.761 . . . . . . . . 3 2 . 1 . 029 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -74.29 -40.34 1.24 Allowed 'Trans proline' 0 C--N 1.363 1.338 1 C-N-CA 125.603 4.202 . . . . 1.03 111.615 -160.646 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -81.16 -25.03 37.15 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 128.37 2.668 . . . . 1.7 114.94 174.272 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.36 -37.09 26.14 Favored 'General case' 0 C--N 1.38 1.935 0 CA-C-N 121.179 1.809 . . . . 3.04 112.26 -172.952 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -85.13 -19.12 32.3 Favored 'General case' 0 C--N 1.368 1.383 0 C-N-CA 127.575 2.35 . . . . 1.74 111.732 -178.673 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 57.4 t-80 -81.58 -23.35 37.16 Favored 'General case' 0 C--N 1.368 1.37 0 C-N-CA 127.625 2.37 . . . . 2.0099999999999998 112.252 175.033 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -69.48 -42.28 75.02 Favored 'General case' 0 C--N 1.368 1.41 0 C-N-CA 127.836 2.455 . . . . 1.1899999999999999 111.722 167.89 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.99 -32.16 71.52 Favored 'General case' 0 C--N 1.363 1.191 0 C-N-CA 127.815 2.446 . . . . 1.0700000000000001 115.789 173.599 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 66.4 m -83.95 -33.33 24.68 Favored 'General case' 0 C--N 1.361 1.076 0 C-N-CA 125.127 1.371 . . . . 1.03 113.976 -177.251 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 69.1 mt -84.21 -24.77 29.91 Favored 'General case' 0 C--N 1.359 1.003 0 C-N-CA 125.539 1.536 . . . . 2.3500000000000001 113.419 177.348 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.6 pt -95.2 -22.11 5.45 Favored 'Isoleucine or valine' 0 C--N 1.37 1.493 0 CA-C-N 119.116 0.871 . . . . 1.0700000000000001 112.276 176.392 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 85.47 63.55 0.01 OUTLIER 'General case' 0 C--N 1.373 1.599 0 C-N-CA 129.475 3.11 . . . . 3.6099999999999999 111.697 172.132 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 87.5 mt -139.19 -174.55 3.89 Favored 'General case' 0 C--N 1.361 1.075 0 N-CA-C 107.124 -1.436 . . . . 1.1200000000000001 107.124 170.9 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 81.6 p -95.82 148.51 34.67 Favored Pre-proline 0 C--N 1.368 1.398 0 C-N-CA 126.29 1.836 . . . . 1.3600000000000001 109.216 -179.04 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_exo -60.71 -20.95 67.86 Favored 'Trans proline' 0 C--N 1.367 1.537 1 C-N-CA 126.139 4.559 . . . . 1.0 116.471 171.911 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.6 t -87.05 -28.61 22.48 Favored 'General case' 0 C--N 1.367 1.329 0 C-N-CA 126.256 1.822 . . . . 1.1299999999999999 111.387 -177.395 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -83.84 -29.82 26.98 Favored 'General case' 0 C--N 1.373 1.612 0 CA-C-N 119.446 1.021 . . . . 1.04 112.916 177.484 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.1 p -68.61 -40.99 82.59 Favored 'Isoleucine or valine' 0 C--N 1.38 1.902 0 C-N-CA 124.962 1.305 . . . . 1.0700000000000001 111.737 170.883 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . 0.3 0.0 OUTLIER -65.33 -34.61 78.74 Favored 'General case' 0 C--N 1.37 1.472 0 N-CA-C 116.976 2.213 . . . . 1.54 116.976 171.243 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.278 0.3 OUTLIER -77.28 -15.49 14.47 Favored 'Isoleucine or valine' 0 C--N 1.384 2.091 0 CA-C-N 121.591 1.996 . . . . 1.3200000000000001 114.016 170.087 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 39.8 t90 -73.38 -41.34 63.48 Favored 'General case' 0 C--N 1.381 1.941 0 C-N-CA 125.569 1.548 . . . . 0.28000000000000003 112.415 175.4 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -83.51 -12.51 56.15 Favored 'General case' 0 C--N 1.369 1.414 0 C-N-CA 126.028 1.731 . . . . 0.46000000000000002 112.689 179.19 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -72.79 -44.04 62.02 Favored 'General case' 0 C--N 1.366 1.306 0 C-N-CA 127.01 2.124 . . . . 1.3400000000000001 112.603 164.975 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 45.2 m-20 -92.37 -13.78 29.64 Favored 'General case' 0 C--N 1.366 1.322 0 N-CA-C 116.514 2.042 . . . . 0.56000000000000005 116.514 -164.566 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 . . . . . 0 C--N 1.365 1.263 0 CA-C-N 120.583 1.538 . . . . 2.3900000000000001 112.761 166.453 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 36.3 m . . . . . 0 CA--C 1.518 -0.286 0 N-CA-C 107.371 -1.344 . . . . 1.3100000000000001 107.371 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 36.3 mttp -85.05 19.99 2.01 Favored 'General case' 0 C--N 1.37 1.46 0 C-N-CA 127.12 2.168 . . . . 3.73 114.692 -169.662 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.33 -49.48 8.11 Favored 'General case' 0 C--N 1.36 1.033 0 C-N-CA 126.65 1.98 . . . . 1.1299999999999999 112.157 154.455 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 40.1 mm-40 -78.59 -48.8 14.45 Favored 'General case' 0 C--N 1.368 1.372 0 C-N-CA 128.671 2.788 . . . . 0.85999999999999999 112.43 -166.704 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 70.3 p -70.75 -30.23 66.68 Favored 'General case' 0 C--N 1.369 1.436 0 C-N-CA 127.863 2.465 . . . . 1.1200000000000001 112.358 179.57 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 51.8 t80 -67.07 -49.8 63.85 Favored 'General case' 0 C--N 1.365 1.263 0 C-N-CA 129.146 2.978 . . . . 1.22 112.882 179.121 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -72.52 -37.1 68.44 Favored 'General case' 0 C--N 1.361 1.078 0 C-N-CA 126.216 1.807 . . . . 1.0600000000000001 115.501 -178.846 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 94.4 mt -69.5 -41.7 75.72 Favored 'General case' 0 C--N 1.363 1.165 0 C-N-CA 125.881 1.672 . . . . 1.05 114.807 177.769 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -71.0 -32.82 69.73 Favored 'General case' 0 C--N 1.364 1.22 0 C-N-CA 126.201 1.8 . . . . 1.6599999999999999 114.862 175.136 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.2 ptp180 -74.26 -40.61 62.23 Favored 'General case' 0 C--N 1.375 1.715 0 N-CA-C 114.727 1.38 . . . . 2.54 114.727 179.216 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.613 3.1 ptm180 -86.43 2.67 46.88 Favored 'General case' 0 C--N 1.367 1.34 0 N-CA-C 116.215 1.931 . . . . 1.8899999999999999 116.215 176.883 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 27.8 t80 -78.35 -42.39 30.63 Favored 'General case' 0 C--N 1.381 1.957 0 C-N-CA 126.587 1.955 . . . . 0.82999999999999996 112.888 152.349 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.75 -29.33 62.16 Favored 'General case' 0 C--N 1.368 1.394 0 C-N-CA 126.878 2.071 . . . . 4.5700000000000003 113.094 -176.421 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 62.9 tp60 -87.84 -27.53 22.19 Favored 'General case' 0 C--N 1.367 1.349 0 C-N-CA 127.622 2.369 . . . . 2.5299999999999998 112.182 -179.824 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -169.74 163.76 9.92 Favored 'General case' 0 C--N 1.369 1.432 0 CA-C-O 122.19 0.995 . . . . 2.04 109.416 178.634 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.4 mtp-105 -105.42 -38.79 6.36 Favored 'General case' 0 C--N 1.355 0.823 0 C-N-CA 127.241 2.216 . . . . 4.25 113.512 -177.142 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 51.9 p90 -77.83 -24.06 48.8 Favored 'General case' 0 C--N 1.365 1.264 0 N-CA-C 116.754 2.131 . . . . 5.9000000000000004 116.754 -150.432 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.45 HD12 ' HB2' ' A' ' 39' ' ' ARG 0.263 0.5 OUTLIER -33.22 106.57 0.04 OUTLIER 'General case' 0 N--CA 1.487 1.423 1 C-N-CA 132.899 4.48 . . . . 1.23 116.891 -164.398 . . . . . . . . 5 4 . 1 . 030 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 14.4 m -110.55 171.2 7.6 Favored 'General case' 0 C--N 1.355 0.843 0 C-N-CA 129.776 3.23 . . . . 2.04 106.03 -173.985 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -39.09 -37.76 0.61 Allowed Pre-proline 0 C--N 1.368 1.396 1 N-CA-C 122.122 4.119 . . . . 1.23 122.122 -164.995 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo -65.62 -33.56 44.86 Favored 'Trans proline' 0 C--N 1.358 1.032 0 C-N-CA 124.403 3.402 . . . . 1.03 115.502 175.619 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -103.81 -24.69 13.29 Favored 'General case' 0 C--N 1.362 1.129 0 C-N-CA 126.393 1.877 . . . . 1.7 114.865 177.646 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.45 ' HB2' HD12 ' A' ' 34' ' ' LEU . 0.7 OUTLIER -82.22 -35.27 28.41 Favored 'General case' 0 C--N 1.374 1.661 0 C-N-CA 126.226 1.811 . . . . 3.04 111.153 -176.75 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -83.0 -20.49 35.01 Favored 'General case' 0 C--N 1.373 1.602 0 C-N-CA 126.222 1.809 . . . . 1.74 112.293 179.032 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 23.1 t60 -78.44 -28.31 46.67 Favored 'General case' 0 C--N 1.367 1.338 0 C-N-CA 128.155 2.582 . . . . 2.0099999999999998 111.187 175.722 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -71.95 -38.72 69.73 Favored 'General case' 0 C--N 1.37 1.492 0 C-N-CA 127.802 2.441 . . . . 1.1899999999999999 112.73 170.902 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -74.7 -28.72 60.94 Favored 'General case' 0 C--N 1.361 1.104 0 C-N-CA 127.392 2.277 . . . . 1.0700000000000001 113.877 -179.387 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 59.2 m -85.18 -29.34 24.81 Favored 'General case' 0 C--N 1.361 1.078 0 C-N-CA 126.122 1.769 . . . . 1.03 113.53 175.08 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -75.11 -36.82 61.64 Favored 'General case' 0 C--N 1.364 1.23 0 C-N-CA 127.183 2.193 . . . . 2.3500000000000001 112.515 177.222 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.5 pt -103.14 -19.27 6.24 Favored 'Isoleucine or valine' 0 C--N 1.366 1.294 0 C-N-CA 124.277 1.031 . . . . 1.0700000000000001 112.355 -173.922 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 13.2 tpp85 83.24 66.93 0.02 OUTLIER 'General case' 0 C--N 1.372 1.562 0 C-N-CA 128.995 2.918 . . . . 3.6099999999999999 113.313 174.102 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 86.5 mt -141.55 -170.35 3.08 Favored 'General case' 0 C--N 1.359 1.014 0 N-CA-C 107.095 -1.446 . . . . 1.1200000000000001 107.095 173.746 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.428 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 18.8 p -109.71 158.49 34.66 Favored Pre-proline 0 C--N 1.367 1.352 0 C-N-CA 126.275 1.83 . . . . 1.3600000000000001 110.538 -175.649 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 49' ' ' THR . 88.7 Cg_exo -67.04 -25.26 44.27 Favored 'Trans proline' 0 C--N 1.373 1.86 1 C-N-CA 125.866 4.377 . . . . 1.0 115.765 -174.78 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 12.4 t -87.3 -26.92 23.19 Favored 'General case' 0 C--N 1.365 1.253 0 C-N-CA 127.035 2.134 . . . . 1.1299999999999999 111.132 -173.896 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -84.6 -33.79 23.29 Favored 'General case' 0 C--N 1.371 1.51 0 C-N-CA 124.239 1.016 . . . . 1.04 112.442 178.697 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.1 p -67.55 -36.89 77.65 Favored 'Isoleucine or valine' 0 C--N 1.381 1.944 0 C-N-CA 124.432 1.093 . . . . 1.0700000000000001 113.013 168.627 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.9 -56.96 9.79 Favored 'General case' 0 C--N 1.37 1.499 0 C-N-CA 128.606 2.762 . . . . 1.54 115.162 168.849 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.271 7.2 mt -84.22 -8.36 11.21 Favored 'Isoleucine or valine' 0 C--N 1.367 1.366 0 N-CA-C 115.009 1.485 . . . . 1.3200000000000001 115.009 -176.448 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 57.1 t90 -75.45 -43.42 49.64 Favored 'General case' 0 C--N 1.378 1.827 0 C-N-CA 124.747 1.219 . . . . 0.28000000000000003 110.864 167.775 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -82.24 -12.89 57.8 Favored 'General case' 0 C--N 1.368 1.389 0 C-N-CA 126.593 1.957 . . . . 0.46000000000000002 113.038 -179.261 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -77.67 -42.84 33.22 Favored 'General case' 0 C--N 1.363 1.185 0 C-N-CA 127.532 2.333 . . . . 1.3400000000000001 111.911 172.425 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 69.6 m-20 -87.69 -20.1 26.74 Favored 'General case' 0 C--N 1.366 1.298 0 C-N-CA 126.458 1.903 . . . . 0.56000000000000005 113.027 -175.868 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 5.9 m80 . . . . . 0 C--N 1.365 1.254 0 C-N-CA 125.917 1.687 . . . . 2.3900000000000001 114.338 178.895 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.485 0.184 . . . . 17.23 110.746 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.0 p -107.82 -31.94 7.82 Favored 'General case' 0 C--N 1.364 1.234 0 C-N-CA 126.66 1.984 . . . . 16.870000000000001 108.656 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 -131.32 70.05 1.47 Allowed 'General case' 0 C--N 1.362 1.112 0 N-CA-C 105.71 -1.959 . . . . 17.010000000000002 105.71 176.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.45 159.29 9.14 Favored Glycine 0 C--N 1.357 1.7 0 N-CA-C 106.245 -2.742 . . . . 15.789999999999999 106.245 -179.59 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -163.44 145.4 7.65 Favored Pre-proline 0 C--N 1.36 1.038 0 N-CA-C 105.724 -1.954 . . . . 16.199999999999999 105.724 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -91.84 66.89 1.0 Allowed 'Trans proline' 0 C--N 1.367 1.536 0 CA-C-N 125.463 2.987 . . . . 14.32 110.204 175.617 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 31.5 m120 -145.46 179.46 7.39 Favored 'General case' 0 C--N 1.359 0.982 0 N-CA-C 105.15 -2.167 . . . . 15.539999999999999 105.15 -179.26 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? -137.58 100.12 4.13 Favored 'General case' 0 C--N 1.359 0.984 0 N-CA-C 106.048 -1.834 . . . . 17.23 106.048 176.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -153.72 -84.5 0.07 Allowed 'General case' 0 C--N 1.358 0.958 0 N-CA-C 105.042 -2.207 . . . . 14.380000000000001 105.042 176.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.7 mmm180 -149.19 119.96 7.56 Favored 'General case' 0 C--N 1.36 1.056 0 N-CA-C 106.165 -1.791 . . . . 13.85 106.165 -177.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . 2.322 0.0 OUTLIER 81.18 55.1 0.02 OUTLIER 'General case' 0 C--N 1.371 1.502 0 C-N-CA 130.003 3.321 . . . . 13.210000000000001 115.065 -9.298 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 90.7 mmt-85 -91.48 124.57 35.75 Favored 'General case' 0 C--N 1.372 1.584 1 C-N-CA 134.613 5.165 . . . . 10.609999999999999 112.853 8.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.59 169.94 13.89 Favored 'General case' 0 N--CA 1.426 -1.647 0 C-N-CA 129.697 3.199 . . . . 8.1999999999999993 114.341 176.637 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 24.1 m -130.92 135.72 59.51 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.868 0 N-CA-C 104.017 -2.586 . . . . 4.3600000000000003 104.017 146.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.4 mt -138.24 107.58 6.12 Favored 'General case' 0 C--N 1.355 0.846 0 N-CA-C 105.48 -2.044 . . . . 5.2400000000000002 105.48 176.171 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.405 ' HB3' ' HB2' ' A' ' 20' ' ' GLN . 20.5 m-30 -105.25 154.06 20.75 Favored 'General case' 0 N--CA 1.439 -0.999 0 C-N-CA 129.144 2.978 . . . . 1.53 109.921 -172.453 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . 0.275 7.5 m -95.43 -173.6 2.95 Favored 'General case' 0 C--N 1.375 1.701 0 C-N-CA 126.529 1.932 . . . . 1.3100000000000001 111.418 -175.534 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.7 pttp -75.89 -10.37 59.37 Favored 'General case' 0 C--N 1.369 1.441 0 N-CA-C 117.758 2.503 . . . . 3.73 117.758 -157.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -83.24 -41.05 18.81 Favored 'General case' 0 C--N 1.362 1.15 0 C-N-CA 125.62 1.568 . . . . 1.1299999999999999 111.999 167.626 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.405 ' HB2' ' HB3' ' A' ' 16' ' ' PHE . 57.7 mm-40 -75.77 -44.31 42.15 Favored 'General case' 0 C--N 1.368 1.39 0 C-N-CA 128.422 2.689 . . . . 0.85999999999999999 111.445 -173.036 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 61.6 p -73.03 -26.59 61.36 Favored 'General case' 0 C--N 1.369 1.417 0 C-N-CA 127.637 2.375 . . . . 1.1200000000000001 112.509 179.01 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 53.0 t80 -67.58 -52.68 35.66 Favored 'General case' 0 C--N 1.371 1.507 0 C-N-CA 127.825 2.45 . . . . 1.22 112.316 176.536 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -71.9 -35.19 69.63 Favored 'General case' 0 C--N 1.363 1.163 0 N-CA-C 115.469 1.655 . . . . 1.0600000000000001 115.469 -177.553 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 93.9 mt -72.18 -40.96 67.55 Favored 'General case' 0 C--N 1.359 0.998 0 C-N-CA 126.035 1.734 . . . . 1.05 114.962 178.726 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -71.4 -30.98 66.73 Favored 'General case' 0 C--N 1.361 1.088 0 C-N-CA 125.598 1.559 . . . . 1.6599999999999999 115.135 172.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.1 ptm180 -78.64 -26.94 45.26 Favored 'General case' 0 C--N 1.371 1.511 0 N-CA-C 114.735 1.384 . . . . 2.54 114.735 -178.642 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 39.8 mmm-85 -79.02 -27.09 43.21 Favored 'General case' 0 C--N 1.368 1.399 0 C-N-CA 124.038 0.935 . . . . 1.8899999999999999 112.939 163.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -73.86 -17.81 61.01 Favored 'General case' 0 C--N 1.369 1.45 0 CA-C-N 120.535 1.516 . . . . 0.82999999999999996 114.301 177.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 39.0 mmt-85 -83.8 -46.18 12.49 Favored 'General case' 0 C--N 1.365 1.28 0 C-N-CA 125.961 1.704 . . . . 4.5700000000000003 112.676 174.559 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 68.2 tp60 -90.94 -23.99 20.29 Favored 'General case' 0 C--N 1.367 1.362 0 C-N-CA 127.474 2.309 . . . . 2.5299999999999998 113.102 -174.523 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -126.47 170.74 11.67 Favored 'General case' 0 C--N 1.365 1.272 0 C-N-CA 125.07 1.348 . . . . 2.04 108.162 -177.066 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 62.8 mtt85 -107.12 -41.48 5.14 Favored 'General case' 0 C--N 1.361 1.07 0 C-N-CA 126.836 2.054 . . . . 4.25 110.381 165.084 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 33.6 p90 -144.52 152.37 40.49 Favored 'General case' 0 C--N 1.36 1.025 0 C-N-CA 127.157 2.183 . . . . 5.9000000000000004 106.337 -161.217 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -150.36 120.93 7.45 Favored 'General case' 0 N--CA 1.441 -0.875 0 N-CA-C 104.212 -2.514 . . . . 1.23 104.212 -174.335 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.6 p -84.35 162.93 19.86 Favored 'General case' 0 C--N 1.372 1.571 0 C-N-CA 127.886 2.474 . . . . 2.04 111.234 -173.065 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.26 -36.98 31.08 Favored Pre-proline 0 C--N 1.367 1.353 0 N-CA-C 120.466 3.506 . . . . 1.23 120.466 -170.306 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -67.51 -29.19 37.58 Favored 'Trans proline' 0 C--N 1.36 1.142 0 C-N-CA 124.082 3.188 . . . . 1.03 114.669 175.219 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.265 0.9 OUTLIER -104.45 -17.1 14.88 Favored 'General case' 0 C--N 1.361 1.091 0 C-N-CA 126.681 1.992 . . . . 1.7 114.974 178.611 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 56.0 ttp85 -82.96 -37.43 24.1 Favored 'General case' 0 C--N 1.376 1.727 0 C-N-CA 126.26 1.824 . . . . 3.04 112.164 178.097 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -77.96 -20.86 51.92 Favored 'General case' 0 C--N 1.367 1.34 0 C-N-CA 126.943 2.097 . . . . 1.74 112.351 177.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 34.9 t-80 -81.2 -28.89 34.73 Favored 'General case' 0 C--N 1.364 1.233 0 C-N-CA 128.374 2.669 . . . . 2.0099999999999998 111.486 175.469 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -75.23 -30.59 60.59 Favored 'General case' 0 C--N 1.369 1.449 0 C-N-CA 128.444 2.698 . . . . 1.1899999999999999 112.354 172.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.63 -27.2 34.26 Favored 'General case' 0 C--N 1.364 1.239 0 C-N-CA 127.67 2.388 . . . . 1.0700000000000001 112.939 177.354 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 69.0 m -85.06 -26.15 27.16 Favored 'General case' 0 C--N 1.362 1.125 0 C-N-CA 126.215 1.806 . . . . 1.03 113.075 173.385 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 48.3 tp -75.33 -37.67 60.61 Favored 'General case' 0 C--N 1.362 1.148 0 C-N-CA 127.327 2.251 . . . . 2.3500000000000001 112.434 176.127 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.0 pt -103.86 -21.49 5.25 Favored 'Isoleucine or valine' 0 C--N 1.366 1.311 0 C-N-CA 123.861 0.864 . . . . 1.0700000000000001 112.27 -173.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 8.5 tpp180 83.69 68.72 0.02 OUTLIER 'General case' 0 C--N 1.371 1.505 0 C-N-CA 129.082 2.953 . . . . 3.6099999999999999 113.812 175.225 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 77.2 mt -139.83 -172.52 3.41 Favored 'General case' 0 C--N 1.36 1.044 0 N-CA-C 107.844 -1.169 . . . . 1.1200000000000001 107.844 171.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 66.8 p -94.6 149.54 36.66 Favored Pre-proline 0 C--N 1.371 1.515 0 C-N-CA 127.59 2.356 . . . . 1.3600000000000001 108.712 179.599 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_exo -58.16 -24.63 67.69 Favored 'Trans proline' 0 C--N 1.362 1.252 1 C-N-CA 126.45 4.767 . . . . 1.0 117.123 171.099 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.3 t -89.06 -28.44 20.13 Favored 'General case' 0 C--N 1.365 1.255 0 C-N-CA 125.024 1.33 . . . . 1.1299999999999999 111.546 -174.526 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -82.55 -31.62 29.02 Favored 'General case' 0 C--N 1.371 1.533 0 C-N-CA 124.274 1.03 . . . . 1.04 112.438 178.191 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 10.7 p -69.22 -43.12 81.65 Favored 'Isoleucine or valine' 0 C--N 1.378 1.834 0 C-N-CA 125.128 1.371 . . . . 1.0700000000000001 113.295 171.396 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.58 -46.32 89.27 Favored 'General case' 0 C--N 1.374 1.673 0 C-N-CA 126.848 2.059 . . . . 1.54 115.078 175.668 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.287 8.2 mt -84.41 -6.46 10.31 Favored 'Isoleucine or valine' 0 C--N 1.369 1.421 0 N-CA-C 114.407 1.262 . . . . 1.3200000000000001 114.407 176.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 31.9 t90 -71.77 -43.09 66.33 Favored 'General case' 0 C--N 1.381 1.937 0 CA-C-N 120.335 1.425 . . . . 0.28000000000000003 111.421 165.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -79.32 -16.07 56.92 Favored 'General case' 0 C--N 1.372 1.553 0 C-N-CA 125.276 1.431 . . . . 0.46000000000000002 113.648 178.362 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -76.27 -38.81 55.7 Favored 'General case' 0 C--N 1.363 1.161 0 C-N-CA 127.215 2.206 . . . . 1.3400000000000001 112.865 170.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 55.0 m-20 -87.65 -19.79 27.23 Favored 'General case' 0 C--N 1.365 1.28 0 C-N-CA 126.262 1.825 . . . . 0.56000000000000005 113.001 -173.646 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -80.23 -27.05 38.82 Favored 'General case' 0 C--N 1.365 1.265 0 C-N-CA 126.554 1.942 . . . . 2.3900000000000001 114.672 178.283 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 2.8 ptm180 -86.62 50.57 2.03 Favored 'General case' 0 C--N 1.366 1.298 0 C-N-CA 127.577 2.351 . . . . 3.79 113.531 171.122 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -145.08 49.34 1.27 Allowed 'General case' 0 C--N 1.375 1.697 0 CA-C-N 120.686 1.584 . . . . 6.3799999999999999 111.524 -166.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . 0.263 9.3 ptmm? 57.37 46.9 17.51 Favored 'General case' 0 N--CA 1.497 1.877 0 C-N-CA 127.431 2.293 . . . . 5.9000000000000004 114.431 171.146 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 5.5 m -85.63 -19.95 30.21 Favored 'General case' 0 C--N 1.366 1.283 0 N-CA-C 117.619 2.452 . . . . 3.6800000000000002 117.619 -138.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -86.22 53.35 2.77 Favored 'General case' 0 C--N 1.367 1.333 0 C-N-CA 126.188 1.795 . . . . 8.1699999999999999 113.904 -175.517 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 24.7 ptt-85 -177.28 171.81 1.97 Allowed 'General case' 0 C--N 1.357 0.933 0 N-CA-C 102.945 -2.983 . . . . 11.25 102.945 174.634 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -89.62 16.82 7.17 Favored 'General case' 0 C--N 1.369 1.437 0 C-N-CA 124.788 1.235 . . . . 9.0999999999999996 113.444 179.292 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -94.98 83.8 4.02 Favored 'General case' 0 C--N 1.362 1.119 0 C-N-CA 125.785 1.634 . . . . 9.5800000000000001 107.035 163.136 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -140.09 66.97 1.38 Allowed 'General case' 0 N--CA 1.444 -0.729 0 N-CA-C 102.541 -3.133 . . . . 12.300000000000001 102.541 -178.839 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.487 ' CD ' ' H ' ' A' ' 70' ' ' GLU 0.406 0.8 OUTLIER -49.6 -60.36 2.94 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 121.143 3.756 . . . . 12.57 121.143 -172.753 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 37.2 mtmm -118.59 122.76 43.38 Favored 'General case' 0 C--N 1.377 1.775 0 CA-C-N 123.456 2.844 . . . . 16.329999999999998 106.65 177.483 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 86.54 70.95 1.3 Allowed Glycine 0 C--N 1.36 1.876 0 C-N-CA 126.518 2.009 . . . . 15.41 111.796 -179.446 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -135.21 111.49 9.71 Favored 'General case' 0 N--CA 1.421 -1.887 0 C-N-CA 127.083 2.153 . . . . 13.81 107.281 176.637 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -112.6 69.39 0.69 Allowed 'General case' 0 N--CA 1.444 -0.77 0 C-N-CA 131.252 3.821 . . . . 14.6 108.211 178.673 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 102.89 -99.91 1.87 Allowed Glycine 0 C--N 1.361 1.936 0 C-N-CA 126.197 1.855 . . . . 15.93 108.657 -177.492 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 61.5 t-80 -149.33 85.04 5.95 Favored Pre-proline 0 C--N 1.357 0.928 0 N-CA-C 104.554 -2.387 . . . . 18.34 104.554 173.324 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo . . . . . 0 C--O 1.263 1.744 0 C-N-CA 123.473 2.782 . . . . 17.68 108.818 -176.969 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.322 0 CA-C-O 120.531 0.205 . . . . 17.23 110.786 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.7 m -135.09 25.9 3.56 Favored 'General case' 0 C--N 1.36 1.045 0 C-N-CA 125.434 1.494 . . . . 16.870000000000001 107.062 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -123.67 71.07 1.08 Allowed 'General case' 0 C--N 1.368 1.398 0 N-CA-C 106.874 -1.528 . . . . 17.010000000000002 106.874 -177.137 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.78 -139.79 5.2 Favored Glycine 0 C--N 1.356 1.66 0 N-CA-C 107.246 -2.341 . . . . 15.789999999999999 107.246 -178.362 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . 0.263 15.4 mt -118.87 -56.86 0.04 OUTLIER Pre-proline 0 C--N 1.362 1.14 0 CA-C-O 115.903 -1.998 . . . . 16.199999999999999 111.276 179.751 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -90.95 80.9 0.43 Allowed 'Trans proline' 0 C--N 1.366 1.472 0 CA-C-N 125.328 2.938 . . . . 14.32 109.892 -170.543 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 28.4 p30 -91.18 72.13 6.26 Favored 'General case' 0 C--N 1.366 1.288 0 C-N-CA 126.408 1.883 . . . . 15.539999999999999 111.445 -176.31 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.0 pttm -164.24 -54.87 0.03 OUTLIER 'General case' 0 CA--C 1.501 -0.922 0 N-CA-C 105.901 -1.889 . . . . 17.23 105.901 177.426 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -142.66 106.32 4.66 Favored 'General case' 0 C--N 1.359 0.992 0 N-CA-C 104.943 -2.243 . . . . 14.380000000000001 104.943 -179.013 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.543 ' HB2' ' H ' ' A' ' 12' ' ' ARG . 13.7 ptp180 -132.7 146.09 51.57 Favored 'General case' 0 C--N 1.359 0.986 0 N-CA-C 105.084 -2.191 . . . . 13.85 105.084 177.594 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . 0.383 75.8 mmtt 104.24 -57.79 0.0 OUTLIER 'General case' 0 C--N 1.373 1.6 1 C-N-CA 137.026 6.13 . . . . 13.210000000000001 108.898 6.833 . . . . . . . . 3 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.543 ' H ' ' HB2' ' A' ' 10' ' ' ARG . 36.5 ttm-85 -71.83 -52.31 18.13 Favored 'General case' 0 N--CA 1.428 -1.532 0 N-CA-C 119.343 3.09 . . . . 10.609999999999999 119.343 -176.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 48.9 mmm-85 -104.55 -163.34 0.96 Allowed 'General case' 0 C--N 1.375 1.717 1 C-N-CA 133.936 4.895 . . . . 8.1999999999999993 106.656 12.067 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 30.8 m -68.63 136.77 25.74 Favored 'Isoleucine or valine' 0 C--N 1.353 0.731 0 C-N-CA 128.593 2.757 . . . . 4.3600000000000003 112.755 169.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 17.9 mt -117.77 92.49 3.85 Favored 'General case' 0 C--N 1.356 0.889 0 C-N-CA 124.985 1.314 . . . . 5.2400000000000002 108.696 177.379 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 8.9 m-30 -105.16 151.85 23.54 Favored 'General case' 0 C--N 1.367 1.339 0 C-N-CA 128.684 2.794 . . . . 1.53 107.103 175.51 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.7 m -112.52 -168.51 1.33 Allowed 'General case' 0 C--N 1.362 1.11 0 C-N-CA 126.681 1.992 . . . . 1.3100000000000001 107.633 172.712 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 65.2 mttt -85.08 4.89 31.96 Favored 'General case' 0 C--N 1.367 1.343 0 C-N-CA 127.278 2.231 . . . . 3.73 113.875 -172.363 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -83.92 -37.51 22.25 Favored 'General case' 0 C--N 1.363 1.192 0 C-N-CA 126.689 1.996 . . . . 1.1299999999999999 112.526 165.024 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 45.7 mm-40 -77.21 -51.9 10.15 Favored 'General case' 0 C--N 1.368 1.371 0 C-N-CA 129.033 2.933 . . . . 0.85999999999999999 111.792 -170.732 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 72.5 p -65.11 -38.32 90.32 Favored 'General case' 0 C--N 1.371 1.528 0 C-N-CA 127.506 2.322 . . . . 1.1200000000000001 113.093 178.081 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 48.9 t80 -58.73 -57.3 13.63 Favored 'General case' 0 C--N 1.37 1.488 0 C-N-CA 129.013 2.925 . . . . 1.22 112.815 177.429 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -67.46 -36.74 81.76 Favored 'General case' 0 C--N 1.367 1.348 0 C-N-CA 126.598 1.959 . . . . 1.0600000000000001 115.169 -175.715 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 98.5 mt -66.93 -37.46 84.36 Favored 'General case' 0 C--N 1.364 1.239 0 C-N-CA 126.369 1.868 . . . . 1.05 115.664 176.355 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -76.51 -28.58 56.45 Favored 'General case' 0 C--N 1.361 1.097 0 C-N-CA 126.488 1.915 . . . . 1.6599999999999999 114.516 176.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 11.0 mtm180 -69.6 -45.05 69.48 Favored 'General case' 0 C--N 1.377 1.77 0 C-N-CA 124.638 1.175 . . . . 2.54 112.442 176.495 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.296 43.4 mmm-85 -70.39 -30.16 66.99 Favored 'General case' 0 C--N 1.38 1.926 0 CA-C-N 115.448 -0.796 . . . . 1.8899999999999999 112.063 -179.35 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 34.8 t80 -68.68 -35.53 77.34 Favored 'General case' 0 C--N 1.375 1.674 0 C-N-CA 127.879 2.472 . . . . 0.82999999999999996 113.82 -178.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 11.4 mmm-85 -76.09 -23.05 54.94 Favored 'General case' 0 C--N 1.365 1.279 0 C-N-CA 125.387 1.475 . . . . 4.5700000000000003 114.961 177.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -93.62 -27.18 16.73 Favored 'General case' 0 N--CA 1.434 -1.268 0 C-N-CA 128.383 2.673 . . . . 2.5299999999999998 112.443 179.072 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -171.25 152.7 3.44 Favored 'General case' 0 C--N 1.367 1.349 0 N-CA-C 106.61 -1.626 . . . . 2.04 106.61 -168.375 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 90.3 mtt-85 -105.06 -34.07 8.09 Favored 'General case' 0 C--N 1.36 1.046 0 C-N-CA 124.6 1.16 . . . . 4.25 110.206 -179.243 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -113.99 137.1 52.15 Favored 'General case' 0 C--N 1.358 0.936 0 C-N-CA 126.189 1.796 . . . . 5.9000000000000004 108.443 178.592 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -146.98 120.98 9.37 Favored 'General case' 0 CA--C 1.5 -0.944 0 N-CA-C 102.656 -3.09 . . . . 1.23 102.656 -175.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 28.4 p -92.4 166.4 12.58 Favored 'General case' 0 C--N 1.365 1.262 0 C-N-CA 127.278 2.231 . . . . 2.04 109.647 -170.455 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -46.78 -35.6 5.5 Favored Pre-proline 0 C--N 1.366 1.309 0 N-CA-C 120.761 3.615 . . . . 1.23 120.761 -171.035 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_exo -67.25 -31.46 35.57 Favored 'Trans proline' 0 C--N 1.36 1.154 0 C-N-CA 124.337 3.358 . . . . 1.03 115.186 173.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -103.49 -20.04 14.18 Favored 'General case' 0 C--N 1.362 1.137 0 C-N-CA 126.395 1.878 . . . . 1.7 114.798 177.027 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 43.0 ttp180 -81.0 -42.54 20.99 Favored 'General case' 0 C--N 1.373 1.59 0 C-N-CA 126.452 1.901 . . . . 3.04 111.711 -179.014 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -80.23 -21.21 43.09 Favored 'General case' 0 C--N 1.369 1.42 0 C-N-CA 126.78 2.032 . . . . 1.74 112.065 -178.556 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 44.7 t-80 -80.85 -28.01 36.24 Favored 'General case' 0 C--N 1.367 1.367 0 C-N-CA 127.935 2.494 . . . . 2.0099999999999998 111.636 175.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -74.68 -30.44 61.58 Favored 'General case' 0 C--N 1.37 1.457 0 C-N-CA 128.258 2.623 . . . . 1.1899999999999999 112.321 172.558 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -80.55 -27.52 37.53 Favored 'General case' 0 C--N 1.365 1.267 0 C-N-CA 127.871 2.468 . . . . 1.0700000000000001 113.064 176.116 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 70.7 m -85.14 -26.01 27.11 Favored 'General case' 0 C--N 1.361 1.071 0 C-N-CA 126.235 1.814 . . . . 1.03 113.208 174.166 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -75.37 -39.33 59.35 Favored 'General case' 0 C--N 1.362 1.136 0 C-N-CA 127.699 2.4 . . . . 2.3500000000000001 111.98 176.486 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.6 pt -103.06 -20.11 5.83 Favored 'Isoleucine or valine' 0 C--N 1.365 1.268 0 C-N-CA 123.666 0.787 . . . . 1.0700000000000001 112.339 -173.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 8.2 tpp180 84.66 68.5 0.01 OUTLIER 'General case' 0 C--N 1.371 1.542 0 C-N-CA 129.136 2.975 . . . . 3.6099999999999999 113.82 174.203 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 84.1 mt -138.16 -171.47 3.04 Favored 'General case' 0 C--N 1.36 1.028 0 N-CA-C 108.56 -0.904 . . . . 1.1200000000000001 108.56 173.017 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 69.5 p -95.57 146.5 31.42 Favored Pre-proline 0 C--N 1.369 1.452 0 C-N-CA 127.58 2.352 . . . . 1.3600000000000001 108.72 177.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_exo -59.01 -21.16 57.22 Favored 'Trans proline' 0 C--N 1.364 1.377 1 C-N-CA 126.476 4.784 . . . . 1.0 117.158 171.43 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.8 t -86.55 -31.02 21.47 Favored 'General case' 0 C--N 1.365 1.276 0 C-N-CA 126.407 1.883 . . . . 1.1299999999999999 111.094 -176.564 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -84.47 -31.13 24.71 Favored 'General case' 0 C--N 1.369 1.436 0 CA-C-N 119.63 1.104 . . . . 1.04 112.906 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.6 p -68.62 -38.41 79.0 Favored 'Isoleucine or valine' 0 C--N 1.379 1.867 0 C-N-CA 124.653 1.181 . . . . 1.0700000000000001 112.181 169.401 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.3 mmmt -55.92 -46.72 78.37 Favored 'General case' 0 C--N 1.371 1.525 0 N-CA-C 116.5 2.037 . . . . 1.54 116.5 170.376 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.252 3.2 mt -85.69 -9.05 11.26 Favored 'Isoleucine or valine' 0 C--N 1.371 1.507 0 N-CA-C 115.264 1.579 . . . . 1.3200000000000001 115.264 178.572 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 30.1 t90 -74.85 -41.28 60.15 Favored 'General case' 0 C--N 1.378 1.843 0 CA-C-N 120.134 1.333 . . . . 0.28000000000000003 110.691 169.547 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -85.23 -17.24 37.64 Favored 'General case' 0 C--N 1.366 1.3 0 C-N-CA 126.272 1.829 . . . . 0.46000000000000002 114.316 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -85.08 -25.83 27.34 Favored 'General case' 0 C--N 1.364 1.209 0 C-N-CA 125.388 1.475 . . . . 1.3400000000000001 112.102 177.477 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 48.4 m-20 -87.24 -41.3 13.81 Favored 'General case' 0 C--N 1.368 1.411 0 C-N-CA 125.647 1.579 . . . . 0.56000000000000005 113.674 177.122 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -66.65 -27.96 68.09 Favored 'General case' 0 C--N 1.363 1.188 0 N-CA-C 118.116 2.635 . . . . 2.3900000000000001 118.116 -170.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 5.7 ptm180 -85.71 61.2 6.7 Favored 'General case' 0 C--N 1.361 1.091 0 C-N-CA 128.027 2.531 . . . . 3.79 112.109 -176.633 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . 2.465 0.0 OUTLIER -176.33 -51.02 0.01 OUTLIER 'General case' 0 C--N 1.372 1.561 0 O-C-N 120.901 -1.125 . . . . 6.3799999999999999 113.58 157.534 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.36 65.93 0.97 Allowed 'General case' 0 C--N 1.359 1.011 0 O-C-N 118.993 -2.317 . . . . 5.9000000000000004 107.15 -176.446 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . 0.285 2.9 p -43.18 95.08 0.01 OUTLIER 'General case' 0 N--CA 1.438 -1.043 1 C-N-CA 138.133 6.573 . . . . 3.6800000000000002 117.897 -151.38 . . . . . . . . 3 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 51.6 mttp -90.5 33.22 0.91 Allowed 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 131.692 3.997 . . . . 8.1699999999999999 117.206 -164.072 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 6.1 ptp180 -99.73 159.09 15.31 Favored 'General case' 0 C--N 1.366 1.318 0 CA-C-N 120.744 1.611 . . . . 11.25 110.514 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -101.02 4.05 42.04 Favored 'General case' 0 C--N 1.362 1.147 0 C-N-CA 126.331 1.852 . . . . 9.0999999999999996 112.384 179.592 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -102.58 45.32 0.97 Allowed 'General case' 0 C--N 1.365 1.266 0 C-N-CA 126.988 2.115 . . . . 9.5800000000000001 111.527 -178.741 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 8.9 p-10 -118.43 47.68 1.57 Allowed 'General case' 0 CA--C 1.496 -1.113 0 C-N-CA 129.968 3.307 . . . . 12.300000000000001 111.604 -175.127 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -60.07 127.72 33.25 Favored 'General case' 0 C--N 1.366 1.299 0 C-N-CA 126.57 1.948 . . . . 12.57 113.466 145.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.66 150.44 25.15 Favored 'General case' 0 C--N 1.347 0.46 1 C-N-CA 133.874 4.87 . . . . 16.329999999999998 112.735 -6.333 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 87.79 61.42 1.52 Allowed Glycine 0 C--N 1.365 2.154 0 C-N-CA 126.859 2.171 . . . . 15.41 113.793 179.61 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -136.74 116.5 13.07 Favored 'General case' 0 N--CA 1.423 -1.788 0 C-N-CA 127.857 2.463 . . . . 13.81 105.334 177.189 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -103.0 61.46 0.79 Allowed 'General case' 0 N--CA 1.438 -1.029 0 C-N-CA 131.379 3.871 . . . . 14.6 110.988 -171.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 115.53 -97.58 0.8 Allowed Glycine 0 C--N 1.359 1.856 0 C-N-CA 125.773 1.654 . . . . 15.93 109.044 176.363 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 64.2 t-80 -151.08 94.63 3.48 Favored Pre-proline 0 C--N 1.358 0.944 0 N-CA-C 105.404 -2.073 . . . . 18.34 105.404 179.047 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo . . . . . 0 C--O 1.263 1.749 0 C-N-CA 123.602 2.868 . . . . 17.68 111.427 173.771 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.281 0 CA-C-O 120.528 0.204 . . . . 17.23 111.379 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.4 p -160.12 -138.15 0.05 OUTLIER 'General case' 0 C--N 1.362 1.136 0 N-CA-C 105.447 -2.057 . . . . 16.870000000000001 105.447 179.617 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -145.17 113.0 6.36 Favored 'General case' 0 C--N 1.359 0.985 0 N-CA-C 102.52 -3.141 . . . . 17.010000000000002 102.52 177.506 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.95 -115.14 0.66 Allowed Glycine 0 C--N 1.358 1.77 0 N-CA-C 109.738 -1.345 . . . . 15.789999999999999 109.738 -171.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . 0.318 22.6 mt -97.07 -48.24 0.23 Allowed Pre-proline 0 C--N 1.369 1.454 0 CA-C-O 115.679 -2.105 . . . . 16.199999999999999 114.073 -177.263 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -79.62 127.18 7.07 Favored 'Trans proline' 0 C--N 1.367 1.536 0 CA-C-N 125.784 3.101 . . . . 14.32 110.721 -174.394 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 6.1 p-10 -93.66 125.59 38.36 Favored 'General case' 0 C--N 1.362 1.147 0 C-N-CA 126.462 1.905 . . . . 15.539999999999999 112.836 -166.538 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -164.58 -48.34 0.03 OUTLIER 'General case' 0 C--N 1.356 0.88 0 N-CA-C 105.308 -2.108 . . . . 17.23 105.308 171.481 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 52.7 pttt -149.92 36.58 0.7 Allowed 'General case' 0 C--N 1.36 1.06 0 C-N-CA 124.321 1.048 . . . . 14.380000000000001 108.683 -172.42 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.8 ppt_? -103.58 130.69 51.04 Favored 'General case' 0 C--N 1.366 1.31 0 C-N-CA 125.135 1.374 . . . . 13.85 109.52 178.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 41.5 pttt -172.18 146.48 1.9 Allowed 'General case' 0 C--N 1.356 0.873 0 N-CA-C 105.926 -1.879 . . . . 13.210000000000001 105.926 -173.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.411 ' H ' ' HE ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -72.42 -60.42 2.24 Favored 'General case' 0 C--N 1.368 1.396 0 C-N-CA 129.31 3.044 . . . . 10.609999999999999 113.579 178.273 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 17.6 mmm180 -105.13 160.04 15.38 Favored 'General case' 0 C--N 1.364 1.234 0 C-N-CA 126.821 2.048 . . . . 8.1999999999999993 107.943 168.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.1 m -104.32 146.65 11.43 Favored 'Isoleucine or valine' 0 C--N 1.358 0.938 0 C-N-CA 124.834 1.254 . . . . 4.3600000000000003 111.962 -157.509 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -134.49 85.82 2.22 Favored 'General case' 0 C--N 1.361 1.105 0 N-CA-C 106.959 -1.497 . . . . 5.2400000000000002 106.959 172.054 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.496 ' HB3' ' HB2' ' A' ' 20' ' ' GLN . 20.2 m-85 -105.4 151.36 24.31 Favored 'General case' 0 C--N 1.363 1.17 0 C-N-CA 126.983 2.113 . . . . 1.53 111.297 -175.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 13.8 m -103.19 -172.18 2.07 Favored 'General case' 0 C--N 1.372 1.55 0 C-N-CA 127.237 2.215 . . . . 1.3100000000000001 109.653 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.8 pttm -75.57 -6.7 51.61 Favored 'General case' 0 C--N 1.369 1.451 0 N-CA-C 117.218 2.303 . . . . 3.73 117.218 -163.021 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.6 -44.05 13.87 Favored 'General case' 0 C--N 1.362 1.145 0 C-N-CA 125.99 1.716 . . . . 1.1299999999999999 111.868 167.685 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.496 ' HB2' ' HB3' ' A' ' 16' ' ' PHE . 46.5 mm-40 -78.56 -38.21 40.86 Favored 'General case' 0 C--N 1.368 1.392 0 C-N-CA 127.723 2.409 . . . . 0.85999999999999999 111.508 -171.873 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 70.8 p -74.93 -29.62 61.0 Favored 'General case' 0 C--N 1.371 1.524 0 C-N-CA 127.185 2.194 . . . . 1.1200000000000001 112.199 178.703 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 52.6 t80 -65.88 -51.12 61.45 Favored 'General case' 0 C--N 1.37 1.483 0 C-N-CA 128.265 2.626 . . . . 1.22 112.251 176.707 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -73.24 -34.93 66.13 Favored 'General case' 0 C--N 1.36 1.061 0 N-CA-C 115.408 1.633 . . . . 1.0600000000000001 115.408 -177.464 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 93.8 mt -70.5 -41.64 72.37 Favored 'General case' 0 C--N 1.363 1.195 0 C-N-CA 126.028 1.731 . . . . 1.05 114.923 177.432 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -71.19 -31.02 67.13 Favored 'General case' 0 C--N 1.362 1.148 0 C-N-CA 126.032 1.733 . . . . 1.6599999999999999 115.259 173.603 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.1 ptm180 -80.07 -24.7 40.45 Favored 'General case' 0 C--N 1.37 1.488 0 N-CA-C 115.128 1.529 . . . . 2.54 115.128 -179.156 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.275 36.3 mmm-85 -75.6 -31.71 60.03 Favored 'General case' 0 C--N 1.371 1.524 0 C-N-CA 123.6 0.76 . . . . 1.8899999999999999 112.07 163.706 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -68.84 -35.14 76.59 Favored 'General case' 0 C--N 1.375 1.682 0 C-N-CA 127.04 2.136 . . . . 0.82999999999999996 113.736 -173.166 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 31.8 mmt-85 -83.68 -14.94 50.59 Favored 'General case' 0 C--N 1.363 1.192 0 N-CA-C 113.854 1.057 . . . . 4.5700000000000003 113.854 179.143 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 64.2 tp60 -92.61 -27.2 17.48 Favored 'General case' 0 C--N 1.367 1.342 0 C-N-CA 127.686 2.394 . . . . 2.5299999999999998 112.292 174.36 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -171.1 151.65 3.28 Favored 'General case' 0 C--N 1.367 1.328 0 N-CA-C 105.425 -2.065 . . . . 2.04 105.425 -170.113 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.7 mmt85 -105.09 -33.02 8.43 Favored 'General case' 0 C--N 1.359 0.983 0 O-C-N 120.903 -1.123 . . . . 4.25 108.938 -177.261 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 37.7 p90 -114.34 141.28 47.82 Favored 'General case' 0 C--N 1.356 0.869 0 C-N-CA 126.765 2.026 . . . . 5.9000000000000004 107.912 179.55 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -151.25 121.64 7.33 Favored 'General case' 0 CA--C 1.499 -1.017 0 N-CA-C 102.735 -3.061 . . . . 1.23 102.735 -173.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 28.3 p -89.43 168.37 12.26 Favored 'General case' 0 C--N 1.366 1.304 0 C-N-CA 127.393 2.277 . . . . 2.04 109.771 -170.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.28 -35.54 15.58 Favored Pre-proline 0 C--N 1.366 1.316 0 N-CA-C 120.255 3.428 . . . . 1.23 120.255 -172.243 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -67.82 -29.3 35.4 Favored 'Trans proline' 0 C--N 1.36 1.157 0 C-N-CA 124.238 3.292 . . . . 1.03 115.171 173.739 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -102.03 -22.09 14.34 Favored 'General case' 0 C--N 1.362 1.137 0 C-N-CA 126.771 2.028 . . . . 1.7 114.587 177.579 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 36.0 ttm180 -79.19 -42.44 26.06 Favored 'General case' 0 C--N 1.373 1.603 0 C-N-CA 127.139 2.176 . . . . 3.04 111.446 -178.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -80.32 -21.34 42.65 Favored 'General case' 0 C--N 1.368 1.403 0 C-N-CA 127.012 2.125 . . . . 1.74 112.188 -178.025 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 47.5 t-80 -81.05 -27.8 35.61 Favored 'General case' 0 C--N 1.366 1.303 0 C-N-CA 128.076 2.55 . . . . 2.0099999999999998 111.536 176.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -74.55 -33.14 62.66 Favored 'General case' 0 C--N 1.367 1.358 0 C-N-CA 128.306 2.642 . . . . 1.1899999999999999 112.408 172.566 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -80.01 -26.78 39.7 Favored 'General case' 0 C--N 1.365 1.268 0 C-N-CA 128.052 2.541 . . . . 1.0700000000000001 113.226 178.014 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 69.5 m -85.13 -26.91 26.57 Favored 'General case' 0 C--N 1.361 1.067 0 C-N-CA 126.011 1.724 . . . . 1.03 112.956 174.011 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 48.8 tp -74.38 -38.4 63.16 Favored 'General case' 0 C--N 1.363 1.169 0 C-N-CA 127.6 2.36 . . . . 2.3500000000000001 112.702 176.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.0 pt -105.13 -18.11 7.11 Favored 'Isoleucine or valine' 0 C--N 1.366 1.288 0 C-N-CA 123.886 0.874 . . . . 1.0700000000000001 112.445 -174.234 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 24.0 tpt180 85.0 67.87 0.01 OUTLIER 'General case' 0 C--N 1.37 1.482 0 C-N-CA 129.008 2.923 . . . . 3.6099999999999999 114.167 173.182 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 84.1 mt -137.86 -172.31 3.22 Favored 'General case' 0 C--N 1.36 1.033 0 C-N-CA 123.817 0.847 . . . . 1.1200000000000001 108.82 173.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.436 HG22 ' H ' ' A' ' 51' ' ' THR . 71.4 p -94.72 146.87 32.2 Favored Pre-proline 0 C--N 1.368 1.403 0 C-N-CA 127.164 2.186 . . . . 1.3600000000000001 109.219 176.581 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_exo -57.92 -23.54 60.17 Favored 'Trans proline' 0 C--N 1.364 1.358 1 C-N-CA 126.829 5.019 . . . . 1.0 117.332 170.431 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.436 ' H ' HG22 ' A' ' 49' ' ' THR . 14.2 t -85.63 -33.14 21.7 Favored 'General case' 0 C--N 1.364 1.235 0 C-N-CA 126.58 1.952 . . . . 1.1299999999999999 110.837 -175.869 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -81.81 -31.33 31.79 Favored 'General case' 0 C--N 1.369 1.421 0 CA-C-N 119.566 1.075 . . . . 1.04 112.781 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.2 p -69.25 -38.68 78.08 Favored 'Isoleucine or valine' 0 C--N 1.381 1.941 0 C-N-CA 124.97 1.308 . . . . 1.0700000000000001 112.192 171.608 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.0 tppt? -57.32 -44.08 83.9 Favored 'General case' 0 C--N 1.37 1.47 0 C-N-CA 127.993 2.517 . . . . 1.54 114.567 171.39 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.279 1.9 mt -86.46 -8.55 11.1 Favored 'Isoleucine or valine' 0 C--N 1.369 1.437 0 N-CA-C 115.732 1.753 . . . . 1.3200000000000001 115.732 177.68 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 38.4 t90 -74.5 -41.68 60.27 Favored 'General case' 0 C--N 1.378 1.823 0 CA-C-N 120.0 1.273 . . . . 0.28000000000000003 110.928 168.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -85.19 -10.0 57.15 Favored 'General case' 0 C--N 1.365 1.276 0 C-N-CA 126.731 2.012 . . . . 0.46000000000000002 113.69 178.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -77.66 -41.38 38.47 Favored 'General case' 0 C--N 1.363 1.162 0 C-N-CA 125.899 1.679 . . . . 1.3400000000000001 112.194 171.075 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 -91.21 -22.12 20.78 Favored 'General case' 0 C--N 1.366 1.29 0 C-N-CA 125.48 1.512 . . . . 0.56000000000000005 114.106 -171.482 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 6.9 m80 -78.58 -33.88 47.29 Favored 'General case' 0 C--N 1.364 1.226 0 N-CA-C 115.557 1.688 . . . . 2.3900000000000001 115.557 -177.644 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -86.62 50.47 2.01 Favored 'General case' 0 C--N 1.362 1.138 0 C-N-CA 126.412 1.885 . . . . 3.79 114.608 177.332 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 53.5 p90 -64.49 -17.94 64.33 Favored 'General case' 0 C--N 1.377 1.797 0 N-CA-C 120.024 3.342 . . . . 6.3799999999999999 120.024 -178.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.427 ' O ' ' HG2' ' A' ' 63' ' ' LYS 0.372 0.0 OUTLIER 101.42 59.9 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 130.239 3.415 . . . . 5.9000000000000004 106.193 -158.98 . . . . . . . . 4 4 . 1 . 003 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.54 -24.79 15.89 Favored 'General case' 0 C--N 1.361 1.078 0 O-C-N 120.216 -1.552 . . . . 3.6800000000000002 113.978 -147.343 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 49.9 mmtm -89.94 66.26 6.84 Favored 'General case' 0 C--N 1.37 1.463 0 C-N-CA 127.577 2.351 . . . . 8.1699999999999999 110.638 -176.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.401 ' H ' ' H ' ' A' ' 67' ' ' ALA . 5.7 ppt_? -150.74 -35.87 0.15 Allowed 'General case' 0 N--CA 1.442 -0.84 0 C-N-CA 127.607 2.363 . . . . 11.25 105.218 173.492 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.401 ' H ' ' H ' ' A' ' 66' ' ' ARG . . . -100.9 -27.15 13.47 Favored 'General case' 0 C--N 1.366 1.319 0 C-N-CA 126.977 2.111 . . . . 9.0999999999999996 110.888 176.841 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -105.02 39.45 1.71 Allowed 'General case' 0 C--N 1.371 1.52 0 C-N-CA 127.046 2.138 . . . . 9.5800000000000001 110.393 170.327 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -148.08 65.47 1.09 Allowed 'General case' 0 N--CA 1.44 -0.954 0 N-CA-C 104.004 -2.591 . . . . 12.300000000000001 104.004 176.513 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . 0.351 1.5 pp20? -49.69 -69.84 0.1 Allowed 'General case' 0 C--N 1.365 1.242 0 C-N-CA 129.178 2.991 . . . . 12.57 118.682 -173.045 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 37.0 mtmm -93.54 -175.96 3.94 Favored 'General case' 0 C--N 1.371 1.522 0 C-N-CA 127.328 2.251 . . . . 16.329999999999998 107.605 160.178 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -88.22 40.76 3.06 Favored Glycine 0 C--N 1.359 1.844 0 C-N-CA 130.348 3.832 . . . . 15.41 112.302 -169.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 15.1 t80 -71.01 -52.57 18.83 Favored 'General case' 0 C--N 1.351 0.639 1 C-N-CA 132.814 4.445 . . . . 13.81 114.757 -174.174 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -124.94 45.54 2.53 Favored 'General case' 0 N--CA 1.442 -0.849 0 C-N-CA 127.747 2.419 . . . . 14.6 108.542 -176.78 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 129.52 -109.65 0.98 Allowed Glycine 0 C--N 1.359 1.835 0 N-CA-C 108.081 -2.007 . . . . 15.93 108.081 177.003 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 56.6 t-80 -156.74 150.81 19.65 Favored Pre-proline 0 C--N 1.358 0.957 0 N-CA-C 104.956 -2.238 . . . . 18.34 104.956 -177.006 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_exo . . . . . 0 C--O 1.26 1.624 0 C-N-CA 123.717 2.945 . . . . 17.68 110.527 173.665 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.425 0 N-CA-C 112.01 0.374 . . . . 17.23 112.01 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.8 m -136.98 -47.72 0.6 Allowed 'General case' 0 C--N 1.361 1.108 0 N-CA-C 105.734 -1.95 . . . . 16.870000000000001 105.734 176.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -139.24 93.54 2.7 Favored 'General case' 0 C--N 1.358 0.963 0 N-CA-C 103.057 -2.942 . . . . 17.010000000000002 103.057 172.706 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.96 -136.03 2.63 Favored Glycine 0 C--N 1.354 1.577 0 N-CA-C 107.652 -2.179 . . . . 15.789999999999999 107.652 -174.096 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 22.6 mt -122.93 161.21 45.68 Favored Pre-proline 0 C--N 1.366 1.286 0 N-CA-C 106.261 -1.755 . . . . 16.199999999999999 106.261 179.586 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -81.46 120.88 3.68 Favored 'Trans proline' 0 C--N 1.367 1.549 0 CA-C-N 124.757 2.735 . . . . 14.32 111.0 -178.628 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 7.1 p-10 -113.74 24.64 11.93 Favored 'General case' 0 C--N 1.362 1.127 0 C-N-CA 125.559 1.544 . . . . 15.539999999999999 112.7 -170.092 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.415 ' H ' ' H ' ' A' ' 9' ' ' LYS . 21.3 pttp -166.25 0.69 0.03 OUTLIER 'General case' 0 C--N 1.359 0.987 0 C-N-CA 125.383 1.473 . . . . 17.23 107.61 171.129 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.415 ' H ' ' H ' ' A' ' 8' ' ' LYS . 60.2 mttp 82.9 2.78 1.07 Allowed 'General case' 0 C--N 1.372 1.552 0 C-N-CA 129.555 3.142 . . . . 14.380000000000001 113.662 176.239 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 54.2 ttp85 -131.95 17.64 4.63 Favored 'General case' 0 C--N 1.359 1.011 0 C-N-CA 124.132 0.973 . . . . 13.85 110.097 -160.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.0 pttt -161.35 147.02 14.04 Favored 'General case' 0 C--N 1.359 0.993 0 N-CA-C 107.015 -1.476 . . . . 13.210000000000001 107.015 173.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.5 tpm_? -101.75 -34.83 9.29 Favored 'General case' 0 N--CA 1.414 -2.251 1 C-N-CA 132.678 4.391 . . . . 10.609999999999999 109.881 -3.071 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . 2.37 0.0 OUTLIER -44.89 -11.38 0.01 OUTLIER 'General case' 0 C--N 1.376 1.758 2 C-N-CA 135.864 5.666 . . . . 8.1999999999999993 122.186 -174.568 . . . . . . . . 4 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.2 m -122.44 128.48 75.42 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.234 1 C-N-CA 131.941 4.096 . . . . 4.3600000000000003 108.582 -173.014 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.0 mt -138.72 125.36 20.76 Favored 'General case' 0 N--CA 1.447 -0.605 0 N-CA-C 104.529 -2.397 . . . . 5.2400000000000002 104.529 -179.536 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 12.1 m-30 -88.17 149.08 24.08 Favored 'General case' 0 C--N 1.367 1.326 0 C-N-CA 127.966 2.507 . . . . 1.53 110.824 -174.713 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 26.6 m -106.19 -174.93 2.65 Favored 'General case' 0 C--N 1.366 1.316 0 C-N-CA 126.988 2.115 . . . . 1.3100000000000001 108.78 179.633 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 69.4 mttt -85.02 12.25 7.99 Favored 'General case' 0 C--N 1.372 1.563 0 C-N-CA 126.869 2.068 . . . . 3.73 114.445 -172.445 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.41 -48.81 8.65 Favored 'General case' 0 C--N 1.361 1.099 0 C-N-CA 126.774 2.029 . . . . 1.1299999999999999 111.664 157.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 53.4 mm-40 -73.45 -45.66 52.98 Favored 'General case' 0 C--N 1.37 1.475 0 C-N-CA 128.802 2.841 . . . . 0.85999999999999999 112.903 -173.256 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 58.5 p -73.31 -28.14 61.92 Favored 'General case' 0 C--N 1.367 1.359 0 C-N-CA 127.489 2.315 . . . . 1.1200000000000001 112.13 179.334 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 34.1 t80 -66.33 -50.21 64.38 Favored 'General case' 0 C--N 1.37 1.473 0 C-N-CA 127.563 2.345 . . . . 1.22 112.522 176.192 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -74.2 -34.19 63.64 Favored 'General case' 0 C--N 1.363 1.178 0 N-CA-C 115.469 1.655 . . . . 1.0600000000000001 115.469 -177.509 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 92.4 mt -70.17 -43.56 70.59 Favored 'General case' 0 C--N 1.364 1.209 0 C-N-CA 126.034 1.733 . . . . 1.05 114.726 177.434 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -69.31 -33.98 73.98 Favored 'General case' 0 C--N 1.363 1.179 0 C-N-CA 126.506 1.922 . . . . 1.6599999999999999 114.421 174.651 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.5 ptm180 -80.31 -27.38 38.46 Favored 'General case' 0 C--N 1.373 1.606 0 N-CA-C 115.837 1.791 . . . . 2.54 115.837 -177.277 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.284 36.6 mmm-85 -74.67 -31.51 61.94 Favored 'General case' 0 C--N 1.371 1.53 0 C-N-CA 123.929 0.892 . . . . 1.8899999999999999 111.747 167.615 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -68.12 -39.98 82.62 Favored 'General case' 0 C--N 1.378 1.808 0 C-N-CA 126.865 2.066 . . . . 0.82999999999999996 113.671 -175.421 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.8 mmm-85 -71.9 -20.86 61.72 Favored 'General case' 0 C--N 1.366 1.306 0 C-N-CA 126.079 1.752 . . . . 4.5700000000000003 115.26 178.024 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 85.4 mm-40 -98.07 -33.43 11.17 Favored 'General case' 0 C--N 1.359 1.022 0 C-N-CA 126.018 1.727 . . . . 2.5299999999999998 112.917 177.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -162.53 150.39 14.07 Favored 'General case' 0 C--N 1.368 1.396 0 CA-C-N 120.345 1.43 . . . . 2.04 108.636 -172.438 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 72.2 mmt-85 -105.36 -34.42 7.85 Favored 'General case' 0 C--N 1.36 1.035 0 C-N-CA 126.187 1.795 . . . . 4.25 112.356 -175.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -86.3 -16.91 36.04 Favored 'General case' 0 C--N 1.359 1.02 0 C-N-CA 129.18 2.992 . . . . 5.9000000000000004 116.005 -150.37 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . 0.359 0.0 OUTLIER -33.67 109.1 0.07 Allowed 'General case' 0 N--CA 1.496 1.849 1 C-N-CA 133.537 4.735 . . . . 1.23 115.614 -165.839 . . . . . . . . 4 3 . 1 . 004 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 30.7 p -100.32 170.85 8.15 Favored 'General case' 0 C--N 1.361 1.108 0 C-N-CA 128.515 2.726 . . . . 2.04 108.426 -169.036 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -42.6 -36.9 1.62 Allowed Pre-proline 0 C--N 1.367 1.343 0 N-CA-C 121.496 3.887 . . . . 1.23 121.496 -170.604 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_exo -66.9 -31.93 37.06 Favored 'Trans proline' 0 C--N 1.359 1.082 0 C-N-CA 124.256 3.304 . . . . 1.03 115.122 174.061 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -103.72 -22.82 13.5 Favored 'General case' 0 C--N 1.36 1.056 0 C-N-CA 126.937 2.095 . . . . 1.7 114.706 178.174 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 44.4 ttp180 -81.88 -38.0 26.02 Favored 'General case' 0 C--N 1.373 1.609 0 C-N-CA 126.681 1.992 . . . . 3.04 111.927 -178.555 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -81.59 -20.76 39.14 Favored 'General case' 0 C--N 1.37 1.466 0 C-N-CA 126.087 1.755 . . . . 1.74 112.172 179.618 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 48.0 t-80 -79.24 -28.28 42.45 Favored 'General case' 0 C--N 1.367 1.351 0 C-N-CA 128.213 2.605 . . . . 2.0099999999999998 111.552 174.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -72.57 -36.13 68.11 Favored 'General case' 0 C--N 1.368 1.401 0 C-N-CA 128.719 2.807 . . . . 1.1899999999999999 112.313 173.3 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.59 -28.88 41.05 Favored 'General case' 0 C--N 1.363 1.189 0 C-N-CA 128.226 2.611 . . . . 1.0700000000000001 113.504 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 67.7 m -85.19 -26.71 26.61 Favored 'General case' 0 C--N 1.362 1.125 0 C-N-CA 126.179 1.791 . . . . 1.03 113.137 176.081 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -74.99 -39.13 61.41 Favored 'General case' 0 C--N 1.363 1.163 0 C-N-CA 127.357 2.263 . . . . 2.3500000000000001 112.097 175.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.9 pt -101.06 -19.61 5.87 Favored 'Isoleucine or valine' 0 C--N 1.366 1.29 0 C-N-CA 123.832 0.853 . . . . 1.0700000000000001 113.236 -174.212 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 11.0 tpp180 83.89 62.95 0.01 OUTLIER 'General case' 0 C--N 1.369 1.455 0 C-N-CA 128.945 2.898 . . . . 3.6099999999999999 113.775 174.095 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 70.5 mt -137.32 -173.81 3.57 Favored 'General case' 0 C--N 1.36 1.057 0 N-CA-C 107.833 -1.173 . . . . 1.1200000000000001 107.833 173.711 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 57.8 p -93.2 145.98 31.06 Favored Pre-proline 0 C--N 1.368 1.381 0 C-N-CA 127.327 2.251 . . . . 1.3600000000000001 109.176 -177.734 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_exo -58.39 -22.66 59.58 Favored 'Trans proline' 0 C--N 1.363 1.328 1 C-N-CA 126.626 4.884 . . . . 1.0 117.237 170.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.9 t -87.9 -29.3 20.97 Favored 'General case' 0 C--N 1.364 1.239 0 C-N-CA 126.34 1.856 . . . . 1.1299999999999999 111.165 -176.047 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -83.29 -34.09 25.81 Favored 'General case' 0 C--N 1.37 1.486 0 CA-C-N 119.488 1.04 . . . . 1.04 112.516 179.472 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.5 p -67.48 -39.8 83.23 Favored 'Isoleucine or valine' 0 C--N 1.379 1.859 0 C-N-CA 125.302 1.441 . . . . 1.0700000000000001 112.584 169.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.07 -49.14 66.99 Favored 'General case' 0 C--N 1.371 1.534 0 C-N-CA 127.167 2.187 . . . . 1.54 115.747 170.369 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.277 4.8 mt -85.68 -7.41 10.91 Favored 'Isoleucine or valine' 0 C--N 1.367 1.343 0 N-CA-C 115.217 1.562 . . . . 1.3200000000000001 115.217 179.125 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 34.1 t90 -74.66 -42.17 58.98 Favored 'General case' 0 C--N 1.379 1.857 0 C-N-CA 125.018 1.327 . . . . 0.28000000000000003 111.412 169.384 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -84.28 -14.89 48.58 Favored 'General case' 0 C--N 1.367 1.363 0 C-N-CA 126.122 1.769 . . . . 0.46000000000000002 113.319 179.44 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -75.59 -40.52 56.45 Favored 'General case' 0 C--N 1.365 1.263 0 C-N-CA 127.418 2.287 . . . . 1.3400000000000001 112.954 174.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 70.3 m-20 -89.76 -26.73 20.46 Favored 'General case' 0 C--N 1.366 1.314 0 C-N-CA 125.872 1.669 . . . . 0.56000000000000005 113.48 -175.202 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 8.5 m80 -77.39 -16.74 58.69 Favored 'General case' 0 C--N 1.364 1.203 0 N-CA-C 116.959 2.207 . . . . 2.3900000000000001 116.959 -178.269 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -85.39 45.87 1.23 Allowed 'General case' 0 C--N 1.366 1.301 0 C-N-CA 126.786 2.034 . . . . 3.79 115.131 -169.547 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.47 ' HB3' ' H ' ' A' ' 63' ' ' LYS . 1.3 m-85 -103.6 -114.55 0.22 Allowed 'General case' 0 C--N 1.375 1.68 0 O-C-N 120.528 -1.358 . . . . 6.3799999999999999 107.443 176.668 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.47 ' H ' ' HB3' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -151.02 56.8 0.9 Allowed 'General case' 0 CA--C 1.485 -1.537 0 C-N-CA 129.839 3.255 . . . . 5.9000000000000004 102.511 174.777 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -106.31 105.64 15.77 Favored 'General case' 0 N--CA 1.411 -2.424 1 C-N-CA 132.315 4.246 . . . . 3.6800000000000002 101.352 171.003 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -87.17 56.47 4.0 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 129.323 3.049 . . . . 8.1699999999999999 112.736 173.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 78.5 ttt-85 -103.82 -52.86 2.88 Favored 'General case' 0 C--N 1.361 1.108 0 C-N-CA 126.489 1.916 . . . . 11.25 107.789 175.496 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -97.2 -12.64 22.77 Favored 'General case' 0 C--N 1.364 1.226 0 C-N-CA 125.592 1.557 . . . . 9.0999999999999996 112.337 -177.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -103.2 62.88 0.8 Allowed 'General case' 0 C--N 1.365 1.259 0 CA-C-O 124.849 2.261 . . . . 9.5800000000000001 109.219 166.568 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -159.38 66.71 0.4 Allowed 'General case' 0 N--CA 1.436 -1.153 0 CA-C-N 109.7 -3.409 . . . . 12.300000000000001 106.47 -178.359 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . 0.263 24.4 mt-10 -87.05 90.03 8.21 Favored 'General case' 0 C--N 1.37 1.497 0 C-N-CA 124.807 1.243 . . . . 12.57 111.64 160.598 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.2 mtmp? -166.4 13.08 0.03 OUTLIER 'General case' 0 CA--C 1.504 -0.82 0 C-N-CA 128.028 2.531 . . . . 16.329999999999998 111.396 -171.385 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 142.36 -25.84 2.31 Favored Glycine 0 CA--C 1.505 -0.562 0 C-N-CA 125.565 1.555 . . . . 15.41 115.106 174.646 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -65.23 -16.65 63.77 Favored 'General case' 0 C--N 1.363 1.171 0 C-N-CA 129.613 3.165 . . . . 13.81 118.024 -170.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -81.53 53.64 2.15 Favored 'General case' 0 C--N 1.356 0.881 0 C-N-CA 129.718 3.207 . . . . 14.6 113.942 -174.206 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 179.09 -130.88 1.6 Allowed Glycine 0 CA--C 1.493 -1.282 1 N-CA-C 102.957 -4.057 . . . . 15.93 102.957 -179.567 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -143.48 84.35 10.14 Favored Pre-proline 0 C--N 1.355 0.811 0 N-CA-C 105.802 -1.925 . . . . 18.34 105.802 172.648 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo . . . . . 0 C--O 1.261 1.666 0 C-N-CA 123.833 3.022 . . . . 17.68 109.466 -176.202 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.035 0 CA-C-O 120.217 0.055 . . . . 17.23 110.887 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.3 p -104.97 -38.46 6.6 Favored 'General case' 0 C--N 1.366 1.29 0 C-N-CA 126.334 1.853 . . . . 16.870000000000001 109.211 -176.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 52.9 m-20 -132.12 62.47 1.64 Allowed 'General case' 0 C--N 1.361 1.081 0 N-CA-C 104.233 -2.506 . . . . 17.010000000000002 104.233 173.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.96 -141.91 3.29 Favored Glycine 0 C--N 1.358 1.751 0 N-CA-C 110.389 -1.084 . . . . 15.789999999999999 110.389 -172.735 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.419 HD11 HG23 ' A' ' 21' ' ' THR . 10.2 mt -131.96 162.08 58.76 Favored Pre-proline 0 C--N 1.364 1.211 0 N-CA-C 105.796 -1.927 . . . . 16.199999999999999 105.796 -171.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -82.43 143.89 12.56 Favored 'Trans proline' 0 C--N 1.364 1.351 0 CA-C-N 124.786 2.745 . . . . 14.32 113.323 -173.61 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -138.2 -149.58 0.31 Allowed 'General case' 0 C--N 1.359 1.013 0 N-CA-C 103.021 -2.955 . . . . 15.539999999999999 103.021 167.131 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 35.8 mmtp -94.34 111.19 22.92 Favored 'General case' 0 C--N 1.363 1.184 0 C-N-CA 125.567 1.547 . . . . 17.23 109.727 -178.545 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . 0.262 62.3 mttp 80.71 -105.95 0.02 OUTLIER 'General case' 0 C--N 1.367 1.367 0 C-N-CA 129.271 3.028 . . . . 14.380000000000001 111.499 -179.066 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 37.6 ptt180 -156.41 158.24 36.99 Favored 'General case' 0 C--N 1.357 0.895 0 N-CA-C 105.873 -1.899 . . . . 13.85 105.873 178.342 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -154.68 125.41 7.04 Favored 'General case' 0 C--N 1.358 0.936 0 N-CA-C 107.84 -1.171 . . . . 13.210000000000001 107.84 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . 2.07 12.5 mmm180 -55.47 -34.73 64.8 Favored 'General case' 0 C--N 1.367 1.359 0 C-N-CA 131.42 3.888 . . . . 10.609999999999999 117.755 169.418 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . 1.952 0.6 OUTLIER -42.87 -126.58 0.0 OUTLIER 'General case' 0 C--N 1.364 1.21 2 C-N-CA 133.659 4.784 . . . . 8.1999999999999993 123.335 -159.452 . . . . . . . . 4 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 60.4 t -96.86 16.44 2.58 Favored 'Isoleucine or valine' 0 C--N 1.365 1.263 0 C-N-CA 131.324 3.85 . . . . 4.3600000000000003 111.731 -164.103 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -58.92 150.85 23.19 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 131.031 3.732 . . . . 5.2400000000000002 116.039 -163.341 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -86.51 122.35 30.33 Favored 'General case' 0 C--N 1.353 0.734 0 C-N-CA 128.076 2.55 . . . . 1.53 115.325 -132.549 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 40.0 m -114.99 -172.39 2.12 Favored 'General case' 0 C--N 1.37 1.47 0 C-N-CA 127.414 2.285 . . . . 1.3100000000000001 106.294 175.195 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.1 pttm -73.36 6.44 2.92 Favored 'General case' 0 C--N 1.367 1.345 0 N-CA-C 118.952 2.945 . . . . 3.73 118.952 -157.461 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.25 -51.97 6.23 Favored 'General case' 0 C--N 1.361 1.081 0 C-N-CA 125.865 1.666 . . . . 1.1299999999999999 111.966 159.072 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -84.47 -39.27 19.12 Favored 'General case' 0 C--N 1.364 1.236 0 C-N-CA 128.276 2.63 . . . . 0.85999999999999999 111.258 -165.621 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.419 HG23 HD11 ' A' ' 5' ' ' LEU . 71.7 p -70.21 -34.81 73.36 Favored 'General case' 0 C--N 1.376 1.756 0 C-N-CA 127.531 2.333 . . . . 1.1200000000000001 111.377 177.24 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 54.0 t80 -64.2 -51.67 62.61 Favored 'General case' 0 C--N 1.37 1.476 0 C-N-CA 129.461 3.104 . . . . 1.22 112.76 179.053 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -72.81 -34.76 67.07 Favored 'General case' 0 C--N 1.362 1.109 0 N-CA-C 115.19 1.552 . . . . 1.0600000000000001 115.19 -177.432 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 92.2 mt -69.15 -42.32 76.12 Favored 'General case' 0 C--N 1.366 1.309 0 C-N-CA 125.766 1.626 . . . . 1.05 115.072 176.705 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -71.12 -31.7 68.08 Favored 'General case' 0 C--N 1.362 1.128 0 C-N-CA 126.231 1.812 . . . . 1.6599999999999999 115.135 174.165 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.6 ptm180 -79.59 -26.51 41.24 Favored 'General case' 0 C--N 1.369 1.442 0 N-CA-C 115.1 1.519 . . . . 2.54 115.1 -177.421 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.264 40.0 mmm-85 -74.12 -32.01 63.01 Favored 'General case' 0 C--N 1.371 1.536 0 C-N-CA 123.43 0.692 . . . . 1.8899999999999999 112.18 163.393 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -68.37 -27.22 66.05 Favored 'General case' 0 C--N 1.376 1.735 0 C-N-CA 126.589 1.956 . . . . 0.82999999999999996 114.315 -177.513 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 36.9 mmt-85 -79.74 -27.73 40.52 Favored 'General case' 0 C--N 1.365 1.259 0 C-N-CA 125.309 1.444 . . . . 4.5700000000000003 113.487 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 65.5 tp60 -93.49 -27.43 16.68 Favored 'General case' 0 N--CA 1.433 -1.298 0 C-N-CA 127.81 2.444 . . . . 2.5299999999999998 112.541 179.103 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -166.19 152.0 8.78 Favored 'General case' 0 C--N 1.367 1.362 0 N-CA-C 107.732 -1.21 . . . . 2.04 107.732 -167.772 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 24.0 mmt85 -105.07 -35.28 7.68 Favored 'General case' 0 C--N 1.361 1.079 0 C-N-CA 125.556 1.543 . . . . 4.25 110.277 -178.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 -114.35 137.05 52.31 Favored 'General case' 0 C--N 1.358 0.951 0 C-N-CA 126.537 1.935 . . . . 5.9000000000000004 107.69 178.564 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -145.85 120.68 9.93 Favored 'General case' 0 CA--C 1.496 -1.102 0 N-CA-C 101.644 -3.465 . . . . 1.23 101.644 -176.448 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 24.8 p -84.41 164.46 18.88 Favored 'General case' 0 C--N 1.366 1.321 0 C-N-CA 127.18 2.192 . . . . 2.04 110.523 -168.696 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.63 -36.06 25.58 Favored Pre-proline 0 C--N 1.364 1.206 0 N-CA-C 119.969 3.322 . . . . 1.23 119.969 -170.187 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -68.54 -35.85 16.43 Favored 'Trans proline' 0 C--N 1.361 1.214 0 C-N-CA 124.46 3.44 . . . . 1.03 115.004 173.172 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -93.65 -18.32 22.29 Favored 'General case' 0 C--N 1.366 1.29 0 C-N-CA 126.28 1.832 . . . . 1.7 113.946 179.203 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 32.2 ttm180 -80.38 -40.03 27.32 Favored 'General case' 0 C--N 1.371 1.53 0 C-N-CA 127.127 2.171 . . . . 3.04 110.664 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.84 -17.23 48.13 Favored 'General case' 0 C--N 1.371 1.542 0 C-N-CA 126.634 1.973 . . . . 1.74 112.148 -179.313 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 42.4 t-80 -81.16 -28.99 34.8 Favored 'General case' 0 C--N 1.364 1.208 0 C-N-CA 128.294 2.638 . . . . 2.0099999999999998 111.611 174.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -73.27 -33.89 65.51 Favored 'General case' 0 C--N 1.368 1.404 0 C-N-CA 128.137 2.575 . . . . 1.1899999999999999 112.321 172.186 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.47 -24.31 36.86 Favored 'General case' 0 C--N 1.363 1.176 0 C-N-CA 127.764 2.426 . . . . 1.0700000000000001 113.356 177.425 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.6 t -85.2 -27.69 25.94 Favored 'General case' 0 C--N 1.359 0.985 0 C-N-CA 126.457 1.903 . . . . 1.03 111.981 174.156 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 45.0 tp -74.97 -37.45 61.92 Favored 'General case' 0 C--N 1.361 1.082 0 C-N-CA 127.501 2.32 . . . . 2.3500000000000001 112.54 176.405 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.9 pt -106.13 -19.18 6.69 Favored 'Isoleucine or valine' 0 C--N 1.367 1.344 0 C-N-CA 123.712 0.805 . . . . 1.0700000000000001 112.442 -174.497 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 8.9 tpp180 86.88 68.98 0.01 OUTLIER 'General case' 0 C--N 1.372 1.581 0 C-N-CA 129.3 3.04 . . . . 3.6099999999999999 114.236 171.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 73.8 mt -136.49 -164.5 1.58 Allowed 'General case' 0 C--N 1.363 1.164 0 C-N-CA 124.803 1.241 . . . . 1.1200000000000001 109.4 174.342 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 80.6 p -104.72 146.73 33.2 Favored Pre-proline 0 C--N 1.369 1.415 0 C-N-CA 127.94 2.496 . . . . 1.3600000000000001 108.631 177.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_exo -59.29 -19.73 51.93 Favored 'Trans proline' 0 C--N 1.369 1.605 1 C-N-CA 126.583 4.855 . . . . 1.0 117.119 170.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 14.1 t -87.08 -34.7 19.06 Favored 'General case' 0 C--N 1.365 1.259 0 C-N-CA 126.597 1.959 . . . . 1.1299999999999999 111.036 -176.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -79.99 -31.52 39.77 Favored 'General case' 0 C--N 1.372 1.579 0 CA-C-N 119.909 1.231 . . . . 1.04 112.445 179.476 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.9 p -68.96 -39.45 79.8 Favored 'Isoleucine or valine' 0 C--N 1.38 1.919 0 C-N-CA 124.645 1.178 . . . . 1.0700000000000001 112.546 171.257 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.67 -45.13 73.83 Favored 'General case' 0 C--N 1.37 1.468 0 N-CA-C 116.29 1.959 . . . . 1.54 116.29 169.869 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.254 2.3 mt -87.58 -8.18 10.97 Favored 'Isoleucine or valine' 0 C--N 1.368 1.403 0 N-CA-C 115.319 1.6 . . . . 1.3200000000000001 115.319 178.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 36.8 t90 -75.78 -41.89 51.73 Favored 'General case' 0 C--N 1.379 1.856 0 CA-C-N 119.86 1.209 . . . . 0.28000000000000003 110.732 169.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -85.24 -9.23 58.0 Favored 'General case' 0 C--N 1.367 1.347 0 C-N-CA 126.735 2.014 . . . . 0.46000000000000002 113.386 178.647 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -75.46 -41.01 56.71 Favored 'General case' 0 C--N 1.363 1.177 0 C-N-CA 125.839 1.656 . . . . 1.3400000000000001 112.148 168.786 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -93.21 -19.02 21.84 Favored 'General case' 0 C--N 1.366 1.285 0 C-N-CA 125.368 1.467 . . . . 0.56000000000000005 114.455 -173.18 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 11.4 m80 -79.47 -35.18 40.7 Favored 'General case' 0 C--N 1.363 1.167 0 N-CA-C 115.155 1.539 . . . . 2.3900000000000001 115.155 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.1 ptm180 -86.76 48.72 1.68 Allowed 'General case' 0 C--N 1.362 1.134 0 C-N-CA 127.049 2.139 . . . . 3.79 113.774 171.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -140.23 60.75 1.54 Allowed 'General case' 0 C--N 1.373 1.591 0 CA-C-N 120.442 1.474 . . . . 6.3799999999999999 110.551 -166.796 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.7 ptmt 55.71 34.91 24.27 Favored 'General case' 0 N--CA 1.497 1.893 0 C-N-CA 127.654 2.382 . . . . 5.9000000000000004 114.982 173.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.4 m -80.02 -16.44 55.13 Favored 'General case' 0 C--N 1.37 1.488 0 C-N-CA 126.122 1.769 . . . . 3.6800000000000002 114.492 -145.544 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -90.34 61.43 5.03 Favored 'General case' 0 C--N 1.368 1.379 0 C-N-CA 128.146 2.578 . . . . 8.1699999999999999 110.732 179.417 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -146.01 -55.26 0.28 Allowed 'General case' 0 N--CA 1.441 -0.909 0 N-CA-C 103.801 -2.666 . . . . 11.25 103.801 -179.462 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -101.11 96.94 7.55 Favored 'General case' 0 C--N 1.368 1.399 0 C-N-CA 126.077 1.751 . . . . 9.0999999999999996 108.094 165.232 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -105.45 39.25 1.78 Allowed 'General case' 0 C--N 1.361 1.067 0 C-N-CA 126.48 1.912 . . . . 9.5800000000000001 112.213 -171.031 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.445 ' HA ' ' HG3' ' A' ' 71' ' ' LYS . 0.8 OUTLIER -149.39 61.3 1.03 Allowed 'General case' 0 N--CA 1.438 -1.038 0 C-N-CA 127.119 2.168 . . . . 12.300000000000001 107.095 177.795 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -104.34 97.01 7.01 Favored 'General case' 0 C--N 1.373 1.599 0 C-N-CA 124.962 1.305 . . . . 12.57 107.709 154.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.445 ' HG3' ' HA ' ' A' ' 69' ' ' ASN . 0.0 OUTLIER -131.48 -171.99 2.74 Favored 'General case' 0 CA--C 1.498 -1.035 0 N-CA-C 119.954 3.316 . . . . 16.329999999999998 119.954 -132.623 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.42 ' H ' ' CD ' ' A' ' 71' ' ' LYS . . . 91.23 53.93 2.08 Favored Glycine 0 C--N 1.363 2.075 1 C-N-CA 134.227 5.679 . . . . 15.41 106.547 -168.277 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . 0.291 9.9 t80 -91.8 -36.79 13.33 Favored 'General case' 0 C--N 1.369 1.438 0 N-CA-C 115.927 1.825 . . . . 13.81 115.927 -137.176 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -129.04 51.77 2.01 Favored 'General case' 0 N--CA 1.44 -0.958 0 C-N-CA 127.791 2.436 . . . . 14.6 106.148 169.62 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -163.94 96.11 0.13 Allowed Glycine 0 C--N 1.358 1.755 0 N-CA-C 105.657 -2.977 . . . . 15.93 105.657 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 74.5 m-70 -123.9 165.64 22.78 Favored Pre-proline 0 C--N 1.36 1.061 0 C-N-CA 125.732 1.613 . . . . 18.34 107.909 -170.374 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_exo . . . . . 0 C--O 1.261 1.639 0 C-N-CA 123.465 2.777 . . . . 17.68 111.165 176.801 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.279 0 N-CA-C 110.565 -0.161 . . . . 17.23 110.565 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.0 m -151.57 28.08 0.64 Allowed 'General case' 0 C--N 1.361 1.074 0 C-N-CA 125.587 1.555 . . . . 16.870000000000001 106.912 178.376 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 10.0 p30 -138.49 102.02 4.51 Favored 'General case' 0 C--N 1.365 1.244 0 N-CA-C 106.886 -1.524 . . . . 17.010000000000002 106.886 -174.062 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.55 128.0 1.03 Allowed Glycine 0 C--N 1.359 1.847 0 N-CA-C 108.447 -1.861 . . . . 15.789999999999999 108.447 -179.126 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -173.55 167.65 2.54 Favored Pre-proline 0 C--N 1.363 1.176 0 N-CA-C 105.376 -2.083 . . . . 16.199999999999999 105.376 -177.13 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -79.13 139.24 14.89 Favored 'Trans proline' 0 C--N 1.363 1.315 0 C-N-CA 124.138 3.225 . . . . 14.32 110.7 161.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -115.01 47.04 1.33 Allowed 'General case' 0 C--N 1.363 1.175 0 C-N-CA 125.813 1.645 . . . . 15.539999999999999 106.718 -179.713 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -135.3 -28.48 1.14 Allowed 'General case' 0 C--N 1.357 0.911 0 C-N-CA 127.784 2.434 . . . . 17.23 105.041 175.604 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -109.39 147.66 32.4 Favored 'General case' 0 C--N 1.363 1.169 0 C-N-CA 127.333 2.253 . . . . 14.380000000000001 107.343 179.508 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 48.9 mtm-85 -110.06 -174.53 2.51 Favored 'General case' 0 C--N 1.36 1.058 0 C-N-CA 126.4 1.88 . . . . 13.85 109.733 -165.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.3 mtmp? -138.93 78.83 1.69 Allowed 'General case' 0 C--N 1.36 1.033 0 N-CA-C 105.661 -1.977 . . . . 13.210000000000001 105.661 172.096 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.48 HH21 ' HE ' ' A' ' 47' ' ' ARG . 88.4 mtm180 -86.82 -132.36 0.06 Allowed 'General case' 0 C--N 1.367 1.364 0 C-N-CA 129.898 3.279 . . . . 10.609999999999999 110.952 178.672 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.51 173.26 7.71 Favored 'General case' 0 C--N 1.363 1.163 0 C-N-CA 127.304 2.242 . . . . 8.1999999999999993 112.44 -177.602 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.4 m -106.29 156.19 7.0 Favored 'Isoleucine or valine' 0 C--N 1.359 0.993 0 C-N-CA 126.531 1.933 . . . . 4.3600000000000003 110.101 -156.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -175.47 131.43 0.28 Allowed 'General case' 0 C--N 1.358 0.97 0 N-CA-C 103.901 -2.629 . . . . 5.2400000000000002 103.901 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -106.45 103.28 12.7 Favored 'General case' 0 C--N 1.365 1.252 0 C-N-CA 127.076 2.15 . . . . 1.53 108.458 170.091 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 32.8 m -127.31 -166.64 1.63 Allowed 'General case' 0 C--N 1.35 0.608 0 C-N-CA 128.362 2.665 . . . . 1.3100000000000001 106.911 173.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.7 pttm -76.06 -10.94 59.82 Favored 'General case' 0 C--N 1.367 1.359 0 C-N-CA 127.554 2.342 . . . . 3.73 116.273 -169.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -78.55 -34.57 47.0 Favored 'General case' 0 C--N 1.367 1.332 0 C-N-CA 126.839 2.055 . . . . 1.1299999999999999 112.679 172.769 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 42.9 mm-40 -76.89 -44.11 33.19 Favored 'General case' 0 C--N 1.366 1.3 0 C-N-CA 128.796 2.839 . . . . 0.85999999999999999 111.272 -174.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 62.4 p -74.49 -28.8 61.17 Favored 'General case' 0 C--N 1.363 1.188 0 C-N-CA 126.493 1.917 . . . . 1.1200000000000001 111.947 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 54.0 t80 -65.63 -51.08 62.33 Favored 'General case' 0 C--N 1.369 1.45 0 C-N-CA 127.494 2.318 . . . . 1.22 112.765 175.661 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -74.45 -34.32 63.14 Favored 'General case' 0 C--N 1.358 0.967 0 N-CA-C 115.741 1.756 . . . . 1.0600000000000001 115.741 -176.51 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 83.2 mt -74.1 -42.32 60.28 Favored 'General case' 0 C--N 1.361 1.077 0 C-N-CA 126.621 1.968 . . . . 1.05 114.369 178.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -69.2 -30.94 69.23 Favored 'General case' 0 C--N 1.363 1.164 0 C-N-CA 127.005 2.122 . . . . 1.6599999999999999 115.382 171.046 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.6 ptm180 -77.49 -31.06 53.38 Favored 'General case' 0 C--N 1.369 1.422 0 N-CA-C 115.364 1.616 . . . . 2.54 115.364 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.254 37.2 mmm-85 -79.73 -16.51 55.49 Favored 'General case' 0 C--N 1.37 1.496 0 C-N-CA 123.879 0.872 . . . . 1.8899999999999999 112.675 164.542 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -75.33 -30.51 60.31 Favored 'General case' 0 C--N 1.368 1.373 0 O-C-N 120.44 -1.412 . . . . 0.82999999999999996 114.344 173.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.413 ' HD3' HH12 ' A' ' 66' ' ' ARG . 9.3 tpt180 -93.62 -37.51 11.83 Favored 'General case' 0 C--N 1.353 0.736 0 C-N-CA 125.917 1.687 . . . . 4.5700000000000003 114.213 -167.546 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 65.8 tp60 -92.41 -23.22 19.26 Favored 'General case' 0 C--N 1.367 1.359 0 C-N-CA 127.037 2.135 . . . . 2.5299999999999998 112.519 174.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.4 165.59 19.5 Favored 'General case' 0 C--N 1.363 1.177 0 N-CA-C 105.916 -1.883 . . . . 2.04 105.916 -176.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . 0.26 94.1 mtt-85 -89.05 -79.82 0.31 Allowed 'General case' 0 C--N 1.355 0.807 0 N-CA-C 105.92 -1.881 . . . . 4.25 105.92 130.354 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . 2.369 16.5 m-85 70.74 49.28 0.39 Allowed 'General case' 0 C--N 1.362 1.11 0 C-N-CA 130.943 3.697 . . . . 5.9000000000000004 114.631 122.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . 2.337 0.0 OUTLIER -79.8 -122.87 0.01 OUTLIER 'General case' 0 C--N 1.359 1.011 0 C-N-CA 129.207 3.003 . . . . 1.23 110.873 173.04 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 21.7 t 118.44 167.31 0.0 OUTLIER 'General case' 0 C--N 1.378 1.809 0 C-N-CA 130.959 3.704 . . . . 2.04 101.383 -170.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -73.22 -49.42 7.02 Favored Pre-proline 0 C--N 1.347 0.472 0 CA-C-O 116.218 -1.848 . . . . 1.23 114.197 178.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -72.52 -17.41 26.7 Favored 'Trans proline' 0 C--N 1.365 1.415 0 CA-C-N 125.067 2.845 . . . . 1.03 116.137 179.474 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.303 1.2 pt-20 -97.37 -14.29 21.34 Favored 'General case' 0 C--N 1.368 1.389 0 CA-C-N 120.327 1.421 . . . . 1.7 113.365 178.692 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 37.2 ttm180 -81.52 -36.11 29.56 Favored 'General case' 0 C--N 1.372 1.583 0 C-N-CA 125.828 1.651 . . . . 3.04 112.307 170.226 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -76.91 -23.15 52.51 Favored 'General case' 0 C--N 1.372 1.568 0 C-N-CA 126.88 2.072 . . . . 1.74 112.662 179.369 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 45.4 t-80 -85.01 -31.19 23.61 Favored 'General case' 0 C--N 1.362 1.14 0 C-N-CA 127.88 2.472 . . . . 2.0099999999999998 110.97 178.694 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -75.85 -35.4 59.95 Favored 'General case' 0 C--N 1.368 1.374 0 C-N-CA 128.201 2.601 . . . . 1.1899999999999999 112.212 174.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -80.79 -29.67 36.04 Favored 'General case' 0 C--N 1.364 1.196 0 C-N-CA 128.131 2.572 . . . . 1.0700000000000001 113.029 -179.378 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 73.8 m -84.57 -29.55 25.75 Favored 'General case' 0 C--N 1.364 1.203 0 C-N-CA 124.796 1.238 . . . . 1.03 113.216 176.034 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 36.6 tp -72.79 -38.2 67.31 Favored 'General case' 0 C--N 1.361 1.092 0 C-N-CA 125.823 1.649 . . . . 2.3500000000000001 113.18 175.224 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.3 pt -99.12 -18.09 6.43 Favored 'Isoleucine or valine' 0 C--N 1.368 1.389 0 C-N-CA 124.085 0.954 . . . . 1.0700000000000001 112.998 -173.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.48 ' HE ' HH21 ' A' ' 12' ' ' ARG . 1.3 tpp180 95.32 45.1 0.0 OUTLIER 'General case' 0 C--N 1.375 1.676 0 C-N-CA 130.092 3.357 . . . . 3.6099999999999999 114.366 164.257 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 94.6 mt -127.45 -175.57 3.49 Favored 'General case' 0 C--N 1.356 0.889 0 O-C-N 120.636 -1.29 . . . . 1.1200000000000001 109.613 -177.145 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.427 HG22 ' H ' ' A' ' 51' ' ' THR . 71.5 p -90.74 145.59 32.37 Favored Pre-proline 0 C--N 1.369 1.435 0 C-N-CA 126.774 2.029 . . . . 1.3600000000000001 109.482 -178.139 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_exo -61.89 -20.99 71.37 Favored 'Trans proline' 0 C--N 1.366 1.476 1 C-N-CA 126.173 4.582 . . . . 1.0 116.142 173.542 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.427 ' H ' HG22 ' A' ' 49' ' ' THR . 13.6 t -87.74 -29.0 21.4 Favored 'General case' 0 C--N 1.366 1.312 0 C-N-CA 126.613 1.965 . . . . 1.1299999999999999 110.869 -176.794 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -82.27 -33.55 29.11 Favored 'General case' 0 C--N 1.373 1.615 0 CA-C-N 119.575 1.079 . . . . 1.04 112.542 178.684 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.3 p -69.49 -38.02 76.07 Favored 'Isoleucine or valine' 0 C--N 1.378 1.831 0 C-N-CA 125.52 1.528 . . . . 1.0700000000000001 112.624 171.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 6.3 mmmt -53.48 -50.67 64.86 Favored 'General case' 0 C--N 1.373 1.61 0 C-N-CA 127.656 2.382 . . . . 1.54 115.442 169.564 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.0 mt -86.31 -4.81 9.63 Favored 'Isoleucine or valine' 0 C--N 1.366 1.288 0 N-CA-C 114.823 1.416 . . . . 1.3200000000000001 114.823 178.447 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 24.9 t90 -75.77 -43.5 46.23 Favored 'General case' 0 C--N 1.376 1.753 0 C-N-CA 124.856 1.262 . . . . 0.28000000000000003 110.558 169.653 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -82.87 -20.29 35.81 Favored 'General case' 0 C--N 1.371 1.52 0 C-N-CA 125.43 1.492 . . . . 0.46000000000000002 113.098 179.093 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -85.0 -23.92 28.47 Favored 'General case' 0 C--N 1.369 1.433 0 C-N-CA 125.768 1.627 . . . . 1.3400000000000001 112.231 178.238 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 51.5 m-20 -87.4 -28.71 21.99 Favored 'General case' 0 C--N 1.367 1.354 0 C-N-CA 125.48 1.512 . . . . 0.56000000000000005 113.231 171.597 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 2.4 m80 -81.59 -16.49 51.42 Favored 'General case' 0 C--N 1.365 1.264 0 N-CA-C 115.207 1.558 . . . . 2.3900000000000001 115.207 -173.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . 0.346 0.0 OUTLIER -81.43 -35.0 31.16 Favored 'General case' 0 C--N 1.37 1.479 0 CA-C-N 119.673 1.124 . . . . 3.79 113.91 -178.312 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 51.7 p90 -164.64 113.81 1.13 Allowed 'General case' 0 N--CA 1.434 -1.274 0 N-CA-C 106.396 -1.705 . . . . 6.3799999999999999 106.396 158.396 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.0 mptp? -126.24 97.98 5.28 Favored 'General case' 0 C--N 1.35 0.62 0 N-CA-C 103.955 -2.609 . . . . 5.9000000000000004 103.955 67.692 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . 0.346 0.6 OUTLIER -43.21 77.23 0.0 OUTLIER 'General case' 0 C--N 1.373 1.602 1 C-N-CA 134.616 5.166 . . . . 3.6800000000000002 117.479 -162.828 . . . . . . . . 4 3 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 6.5 ptpp? -90.32 26.55 1.9 Allowed 'General case' 0 N--CA 1.449 -0.52 1 C-N-CA 132.279 4.232 . . . . 8.1699999999999999 115.018 -175.103 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.413 HH12 ' HD3' ' A' ' 29' ' ' ARG . 75.2 ttt-85 -156.03 -52.88 0.08 Allowed 'General case' 0 C--N 1.358 0.944 0 N-CA-C 106.842 -1.54 . . . . 11.25 106.842 -179.403 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -100.4 117.03 33.75 Favored 'General case' 0 C--N 1.361 1.092 0 C-N-CA 126.517 1.927 . . . . 9.0999999999999996 109.462 -171.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -105.39 44.89 1.0 Allowed 'General case' 0 C--N 1.359 1.021 0 C-N-CA 126.655 1.982 . . . . 9.5800000000000001 109.787 -177.754 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -174.8 96.91 0.08 Allowed 'General case' 0 N--CA 1.422 -1.828 2 C-N-CA 132.299 4.239 . . . . 12.300000000000001 99.637 -169.399 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . 2.137 18.3 pt-20 -47.9 -100.16 0.0 OUTLIER 'General case' 0 C--N 1.353 0.727 0 C-N-CA 130.504 3.522 . . . . 12.57 117.827 168.305 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.2 mmmm -81.18 121.43 26.12 Favored 'General case' 0 C--N 1.357 0.906 0 C-N-CA 124.848 1.259 . . . . 16.329999999999998 111.924 -177.469 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 126.51 -39.21 2.03 Favored Glycine 0 C--N 1.355 1.601 0 C-N-CA 125.538 1.542 . . . . 15.41 113.564 175.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 32.8 t80 -69.59 -51.29 36.58 Favored 'General case' 0 C--N 1.367 1.33 0 C-N-CA 128.311 2.644 . . . . 13.81 117.164 -161.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -105.88 32.7 4.19 Favored 'General case' 0 N--CA 1.446 -0.628 0 C-N-CA 127.403 2.281 . . . . 14.6 113.304 -161.189 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 63.07 47.47 88.23 Favored Glycine 0 C--N 1.362 2.009 0 C-N-CA 127.644 2.545 . . . . 15.93 117.502 165.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . 2.392 52.5 t60 173.63 64.26 0.04 OUTLIER Pre-proline 0 N--CA 1.44 -0.938 0 CA-C-O 115.79 -2.052 . . . . 18.34 108.197 174.759 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo . . . . . 0 C--O 1.262 1.701 0 CA-C-N 125.721 3.079 . . . . 17.68 109.499 165.548 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.495 0.188 . . . . 17.23 110.817 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.496 ' H ' HD12 ' A' ' 15' ' ' LEU . 12.8 t -142.3 -107.32 0.14 Allowed 'General case' 0 C--N 1.36 1.03 0 N-CA-C 104.651 -2.352 . . . . 16.870000000000001 104.651 179.373 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -156.46 144.5 19.59 Favored 'General case' 0 C--N 1.358 0.975 0 N-CA-C 105.669 -1.975 . . . . 17.010000000000002 105.669 -179.318 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.44 134.06 3.06 Favored Glycine 0 C--N 1.355 1.59 0 N-CA-C 105.721 -2.951 . . . . 15.789999999999999 105.721 177.222 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 17.0 mt -129.7 164.56 39.22 Favored Pre-proline 0 C--N 1.361 1.081 0 N-CA-C 105.306 -2.109 . . . . 16.199999999999999 105.306 -178.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -82.18 73.99 5.4 Favored 'Trans proline' 0 C--N 1.369 1.648 0 C-N-CA 124.383 3.389 . . . . 14.32 110.325 174.021 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 58.8 m-80 -166.66 -47.45 0.02 OUTLIER 'General case' 0 C--N 1.357 0.917 0 N-CA-C 103.194 -2.891 . . . . 15.539999999999999 103.194 -167.485 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 57.6 mtpt -84.64 -45.86 12.08 Favored 'General case' 0 C--N 1.367 1.349 0 C-N-CA 129.108 2.963 . . . . 17.23 110.314 -179.096 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 17.6 pttm -145.74 122.1 10.95 Favored 'General case' 0 C--N 1.357 0.899 0 N-CA-C 103.987 -2.597 . . . . 14.380000000000001 103.987 173.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 -116.8 128.65 55.5 Favored 'General case' 0 C--N 1.36 1.034 0 C-N-CA 125.288 1.435 . . . . 13.85 107.427 -173.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . 0.258 36.0 mtmm 88.56 23.03 0.04 OUTLIER 'General case' 0 C--N 1.369 1.436 0 C-N-CA 129.839 3.256 . . . . 13.210000000000001 110.053 -170.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 51.9 ptt85 -63.72 168.23 5.11 Favored 'General case' 0 C--N 1.363 1.179 0 C-N-CA 131.51 3.924 . . . . 10.609999999999999 118.246 -173.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.3 mmm180 -92.64 161.96 14.36 Favored 'General case' 0 C--N 1.365 1.245 0 C-N-CA 128.275 2.63 . . . . 8.1999999999999993 109.059 162.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.4 m -90.84 153.06 3.25 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.748 0 C-N-CA 126.761 2.024 . . . . 4.3600000000000003 113.481 -156.025 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.496 HD12 ' H ' ' A' ' 2' ' ' SER . 3.7 mm? -120.63 90.16 3.27 Favored 'General case' 0 C--N 1.363 1.163 0 C-N-CA 125.424 1.49 . . . . 5.2400000000000002 108.043 178.81 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.487 ' HB3' ' HB2' ' A' ' 20' ' ' GLN . 19.8 m-30 -105.64 154.99 19.67 Favored 'General case' 0 C--N 1.36 1.024 0 C-N-CA 129.28 3.032 . . . . 1.53 110.096 178.199 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.6 m -96.23 -178.21 4.24 Favored 'General case' 0 C--N 1.373 1.617 0 C-N-CA 126.821 2.049 . . . . 1.3100000000000001 110.818 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.9 ptmm? -80.61 7.31 10.36 Favored 'General case' 0 C--N 1.37 1.481 0 N-CA-C 116.925 2.194 . . . . 3.73 116.925 -165.588 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.28 -48.92 8.61 Favored 'General case' 0 C--N 1.36 1.049 0 C-N-CA 126.146 1.778 . . . . 1.1299999999999999 111.873 158.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.487 ' HB2' ' HB3' ' A' ' 16' ' ' PHE . 55.8 mm-40 -76.13 -46.42 28.83 Favored 'General case' 0 C--N 1.368 1.38 0 C-N-CA 128.623 2.769 . . . . 0.85999999999999999 112.374 -168.688 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 59.9 p -70.93 -31.0 67.48 Favored 'General case' 0 C--N 1.37 1.485 0 C-N-CA 127.975 2.51 . . . . 1.1200000000000001 111.981 179.511 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 49.9 t80 -63.68 -53.95 43.33 Favored 'General case' 0 C--N 1.367 1.348 0 C-N-CA 128.873 2.869 . . . . 1.22 112.508 178.042 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -68.32 -37.67 80.79 Favored 'General case' 0 C--N 1.364 1.229 0 C-N-CA 125.977 1.711 . . . . 1.0600000000000001 115.597 -178.632 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 93.7 mt -69.12 -36.12 77.15 Favored 'General case' 0 C--N 1.361 1.082 0 N-CA-C 116.3 1.963 . . . . 1.05 116.3 177.106 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -77.68 -22.21 50.87 Favored 'General case' 0 C--N 1.359 0.99 0 C-N-CA 126.903 2.081 . . . . 1.6599999999999999 113.738 176.244 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . 0.293 8.2 mmt85 -66.87 -55.22 15.69 Favored 'General case' 0 C--N 1.379 1.86 0 C-N-CA 123.318 0.647 . . . . 2.54 111.704 168.761 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.623 2.8 ptm180 -86.27 1.82 49.48 Favored 'General case' 0 C--N 1.372 1.548 0 N-CA-C 115.367 1.617 . . . . 1.8899999999999999 115.367 -171.872 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 25.2 t80 -79.74 -43.02 23.34 Favored 'General case' 0 C--N 1.378 1.832 0 C-N-CA 126.909 2.084 . . . . 0.82999999999999996 113.792 153.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.2 tmm_? -80.51 -29.49 37.29 Favored 'General case' 0 C--N 1.368 1.408 0 C-N-CA 125.8 1.64 . . . . 4.5700000000000003 113.884 -173.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 66.0 tp60 -88.39 -24.62 23.03 Favored 'General case' 0 C--N 1.368 1.371 0 C-N-CA 127.928 2.491 . . . . 2.5299999999999998 112.528 -178.128 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -161.73 155.17 21.21 Favored 'General case' 0 C--N 1.361 1.1 0 N-CA-C 106.14 -1.8 . . . . 2.04 106.14 -173.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.7 mmm180 -90.13 -48.93 6.87 Favored 'General case' 0 C--N 1.363 1.188 0 C-N-CA 125.306 1.442 . . . . 4.25 109.554 173.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . 2.397 39.7 m-85 32.47 -145.87 0.0 OUTLIER 'General case' 0 C--N 1.371 1.536 1 C-N-CA 133.799 4.84 . . . . 5.9000000000000004 117.029 176.005 . . . . . . . . 3 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -155.48 129.92 9.0 Favored 'General case' 0 C--N 1.359 0.987 1 C-N-CA 132.124 4.17 . . . . 1.23 102.696 5.004 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 21.4 p -90.42 165.56 13.77 Favored 'General case' 0 C--N 1.368 1.377 0 C-N-CA 126.847 2.059 . . . . 2.04 109.862 -171.477 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.8 -34.39 14.53 Favored Pre-proline 0 C--N 1.366 1.317 0 N-CA-C 120.206 3.41 . . . . 1.23 120.206 -171.456 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_exo -67.18 -27.45 41.45 Favored 'Trans proline' 0 C--N 1.361 1.213 0 C-N-CA 124.173 3.249 . . . . 1.03 115.581 175.335 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -107.85 -21.82 12.69 Favored 'General case' 0 C--N 1.362 1.122 0 C-N-CA 126.013 1.725 . . . . 1.7 114.764 176.642 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 60.9 ttp85 -78.22 -43.42 28.42 Favored 'General case' 0 C--N 1.377 1.774 0 CA-C-N 121.253 1.842 . . . . 3.04 111.429 179.487 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -82.71 -21.67 34.74 Favored 'General case' 0 C--N 1.368 1.404 0 C-N-CA 127.167 2.187 . . . . 1.74 112.588 -176.605 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 47.1 t-80 -81.91 -26.77 33.8 Favored 'General case' 0 C--N 1.365 1.277 0 C-N-CA 127.735 2.414 . . . . 2.0099999999999998 111.269 177.158 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -69.8 -38.71 76.74 Favored 'General case' 0 C--N 1.368 1.41 0 C-N-CA 128.106 2.562 . . . . 1.1899999999999999 112.543 169.098 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -76.21 -27.42 56.82 Favored 'General case' 0 C--N 1.361 1.106 0 C-N-CA 127.752 2.421 . . . . 1.0700000000000001 113.794 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 68.3 m -85.15 -29.36 24.84 Favored 'General case' 0 C--N 1.36 1.034 0 C-N-CA 125.939 1.695 . . . . 1.03 113.505 175.314 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -76.88 -36.41 56.76 Favored 'General case' 0 C--N 1.364 1.207 0 C-N-CA 127.545 2.338 . . . . 2.3500000000000001 112.199 178.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.0 pt -102.66 -19.71 5.97 Favored 'Isoleucine or valine' 0 C--N 1.365 1.27 0 C-N-CA 124.329 1.052 . . . . 1.0700000000000001 111.489 -175.257 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 11.7 tpp85 85.21 66.85 0.01 OUTLIER 'General case' 0 C--N 1.374 1.644 0 C-N-CA 129.092 2.957 . . . . 3.6099999999999999 113.806 170.505 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 90.5 mt -137.6 -171.47 3.0 Favored 'General case' 0 C--N 1.36 1.039 0 C-N-CA 124.743 1.217 . . . . 1.1200000000000001 108.751 174.127 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 82.4 p -97.09 148.58 34.6 Favored Pre-proline 0 C--N 1.37 1.482 0 C-N-CA 127.498 2.319 . . . . 1.3600000000000001 109.292 178.404 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -59.73 -24.04 74.13 Favored 'Trans proline' 0 C--N 1.364 1.372 1 C-N-CA 126.458 4.772 . . . . 1.0 117.002 170.598 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.6 t -87.75 -25.01 23.63 Favored 'General case' 0 C--N 1.365 1.247 0 C-N-CA 125.331 1.453 . . . . 1.1299999999999999 111.261 -175.781 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -84.96 -33.23 22.68 Favored 'General case' 0 C--N 1.371 1.516 0 C-N-CA 123.943 0.897 . . . . 1.04 112.84 177.319 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.6 p -66.46 -41.99 89.55 Favored 'Isoleucine or valine' 0 C--N 1.381 1.959 0 C-N-CA 125.042 1.337 . . . . 1.0700000000000001 112.615 170.602 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . 0.28 0.0 OUTLIER -72.14 -30.08 64.68 Favored 'General case' 0 C--N 1.366 1.294 0 N-CA-C 115.864 1.801 . . . . 1.54 115.864 176.692 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.265 0.3 OUTLIER -79.58 -13.88 13.29 Favored 'Isoleucine or valine' 0 C--N 1.385 2.118 0 CA-C-N 121.288 1.858 . . . . 1.3200000000000001 113.966 167.076 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 28.1 t90 -75.26 -38.89 60.3 Favored 'General case' 0 C--N 1.38 1.897 0 CA-C-N 120.738 1.608 . . . . 0.28000000000000003 111.762 174.352 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -81.34 -15.68 54.63 Favored 'General case' 0 C--N 1.368 1.372 0 C-N-CA 126.561 1.944 . . . . 0.46000000000000002 112.716 178.464 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -69.99 -45.42 67.33 Favored 'General case' 0 C--N 1.366 1.321 0 C-N-CA 127.001 2.12 . . . . 1.3400000000000001 113.124 165.249 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 64.5 m-20 -95.06 -28.97 14.83 Favored 'General case' 0 C--N 1.365 1.254 0 C-N-CA 125.605 1.562 . . . . 0.56000000000000005 114.244 -167.174 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -90.92 33.05 0.95 Allowed 'General case' 0 C--N 1.366 1.316 0 C-N-CA 124.766 1.226 . . . . 2.3900000000000001 114.092 -174.549 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . 0.336 0.0 OUTLIER -85.25 -36.63 20.79 Favored 'General case' 0 C--N 1.364 1.238 0 N-CA-C 113.875 1.065 . . . . 3.79 113.875 171.881 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . 2.075 44.1 m-85 121.21 -86.34 0.0 OUTLIER 'General case' 0 C--N 1.361 1.095 0 CA-C-O 123.953 1.835 . . . . 6.3799999999999999 109.923 161.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . 0.349 0.7 OUTLIER 79.09 78.31 0.06 Allowed 'General case' 0 N--CA 1.48 1.039 0 CA-C-N 111.374 -2.648 . . . . 5.9000000000000004 111.685 -102.488 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.71 93.05 4.44 Favored 'General case' 0 C--N 1.367 1.33 0 C-N-CA 130.084 3.354 . . . . 3.6800000000000002 103.138 172.861 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.51 55.8 0.84 Allowed 'General case' 0 C--N 1.352 0.687 0 C-N-CA 131.573 3.949 . . . . 8.1699999999999999 115.676 -171.277 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 14.8 tpt180 -106.32 -46.39 4.05 Favored 'General case' 0 C--N 1.356 0.872 0 C-N-CA 128.43 2.692 . . . . 11.25 104.607 162.709 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -100.1 104.92 16.5 Favored 'General case' 0 C--N 1.36 1.063 0 C-N-CA 127.356 2.263 . . . . 9.0999999999999996 105.798 159.26 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -87.86 89.76 8.12 Favored 'General case' 0 C--N 1.365 1.247 0 C-N-CA 125.524 1.53 . . . . 9.5800000000000001 112.965 -164.65 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -120.44 50.45 1.32 Allowed 'General case' 0 N--CA 1.444 -0.744 0 C-N-CA 129.067 2.947 . . . . 12.300000000000001 110.135 -178.641 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . 0.404 1.6 pm0 -63.79 -90.05 0.01 OUTLIER 'General case' 0 C--N 1.363 1.156 0 C-N-CA 127.795 2.438 . . . . 12.57 115.238 164.293 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -96.52 123.37 40.16 Favored 'General case' 0 C--N 1.383 2.032 0 CA-C-N 123.252 2.751 . . . . 16.329999999999998 109.137 173.757 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 149.61 -65.89 0.38 Allowed Glycine 0 C--N 1.355 1.588 0 N-CA-C 106.492 -2.643 . . . . 15.41 106.492 -176.544 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -78.97 -20.55 48.88 Favored 'General case' 0 C--N 1.357 0.899 0 C-N-CA 129.044 2.937 . . . . 13.81 116.601 -167.493 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -113.34 50.36 0.9 Allowed 'General case' 0 N--CA 1.44 -0.953 0 C-N-CA 128.901 2.881 . . . . 14.6 107.438 -173.651 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -169.77 -93.01 0.09 OUTLIER Glycine 0 C--N 1.355 1.602 0 N-CA-C 105.768 -2.933 . . . . 15.93 105.768 -178.17 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -143.8 89.81 7.2 Favored Pre-proline 0 C--N 1.359 1.006 0 N-CA-C 107.101 -1.444 . . . . 18.34 107.101 179.526 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo . . . . . 0 C--O 1.261 1.666 0 C-N-CA 123.717 2.945 . . . . 17.68 109.278 172.969 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.611 0.243 . . . . 17.23 110.708 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.0 m -137.5 21.51 2.93 Favored 'General case' 0 C--N 1.36 1.056 0 C-N-CA 125.583 1.553 . . . . 16.870000000000001 107.665 -179.696 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.489 ' HA ' HH11 ' A' ' 13' ' ' ARG . 45.9 t0 -160.8 118.81 2.46 Favored 'General case' 0 C--N 1.361 1.069 0 N-CA-C 103.631 -2.729 . . . . 17.010000000000002 103.631 178.655 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.65 -134.01 2.92 Favored Glycine 0 C--N 1.354 1.56 0 N-CA-C 106.233 -2.747 . . . . 15.789999999999999 106.233 -178.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 20.1 mt -123.55 155.89 65.22 Favored Pre-proline 0 C--N 1.363 1.164 0 N-CA-C 106.236 -1.764 . . . . 16.199999999999999 106.236 174.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_endo -81.51 108.33 1.92 Allowed 'Trans proline' 0 C--N 1.365 1.423 0 C-N-CA 123.547 2.831 . . . . 14.32 110.459 170.047 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 42.2 t30 -140.98 -56.05 0.5 Allowed 'General case' 0 C--N 1.357 0.922 0 N-CA-C 102.928 -2.989 . . . . 15.539999999999999 102.928 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -111.8 166.83 10.85 Favored 'General case' 0 C--N 1.361 1.065 0 C-N-CA 127.032 2.133 . . . . 17.23 105.941 169.172 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -107.87 43.59 1.19 Allowed 'General case' 0 C--N 1.364 1.233 0 C-N-CA 125.081 1.352 . . . . 14.380000000000001 108.791 172.586 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.2 mmm180 -136.01 26.51 3.27 Favored 'General case' 0 C--N 1.358 0.937 0 C-N-CA 127.436 2.295 . . . . 13.85 104.853 171.714 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -159.66 -39.27 0.05 Allowed 'General case' 0 C--N 1.362 1.118 0 N-CA-C 107.849 -1.167 . . . . 13.210000000000001 107.849 -163.063 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.71 161.29 0.35 Allowed 'General case' 0 C--N 1.363 1.195 0 N-CA-C 121.119 3.748 . . . . 10.609999999999999 121.119 -161.288 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.489 HH11 ' HA ' ' A' ' 3' ' ' ASP . 29.2 mmm180 -85.12 131.32 34.46 Favored 'General case' 0 C--N 1.369 1.423 0 C-N-CA 127.189 2.195 . . . . 8.1999999999999993 107.179 156.602 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 28.8 m -80.63 125.84 39.4 Favored 'Isoleucine or valine' 0 C--N 1.358 0.978 0 N-CA-C 115.831 1.789 . . . . 4.3600000000000003 115.831 -130.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -128.98 140.74 51.51 Favored 'General case' 0 N--CA 1.437 -1.124 0 N-CA-C 102.953 -2.98 . . . . 5.2400000000000002 102.953 173.636 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -105.84 121.08 43.32 Favored 'General case' 0 N--CA 1.433 -1.298 0 N-CA-C 105.382 -2.081 . . . . 1.53 105.382 177.042 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 27.1 m -114.5 -171.88 2.01 Favored 'General case' 0 C--N 1.356 0.891 0 C-N-CA 126.863 2.065 . . . . 1.3100000000000001 108.454 -176.112 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -85.02 8.78 16.62 Favored 'General case' 0 C--N 1.37 1.481 0 C-N-CA 126.898 2.079 . . . . 3.73 114.896 -170.26 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.18 -47.51 10.05 Favored 'General case' 0 C--N 1.36 1.049 0 C-N-CA 126.533 1.933 . . . . 1.1299999999999999 111.778 160.222 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 50.6 mm-40 -72.14 -51.85 19.4 Favored 'General case' 0 C--N 1.37 1.492 0 C-N-CA 129.03 2.932 . . . . 0.85999999999999999 112.774 -170.675 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 67.0 p -68.15 -35.33 77.9 Favored 'General case' 0 C--N 1.368 1.411 0 C-N-CA 127.772 2.429 . . . . 1.1200000000000001 112.749 -178.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 46.0 t80 -63.13 -53.83 47.29 Favored 'General case' 0 C--N 1.365 1.261 0 C-N-CA 129.191 2.996 . . . . 1.22 112.83 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -67.6 -40.28 84.75 Favored 'General case' 0 C--N 1.362 1.139 0 C-N-CA 126.73 2.012 . . . . 1.0600000000000001 115.152 -178.661 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 98.3 mt -67.01 -35.69 80.48 Favored 'General case' 0 C--N 1.361 1.07 0 C-N-CA 126.725 2.01 . . . . 1.05 115.791 178.101 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -78.15 -25.34 47.28 Favored 'General case' 0 C--N 1.358 0.96 0 C-N-CA 127.061 2.144 . . . . 1.6599999999999999 114.566 175.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . 0.299 5.3 mmt85 -68.13 -50.17 56.39 Favored 'General case' 0 C--N 1.378 1.826 0 C-N-CA 123.512 0.725 . . . . 2.54 111.857 172.816 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.441 0.0 OUTLIER -84.71 6.15 25.42 Favored 'General case' 0 C--N 1.374 1.67 0 CA-C-N 114.662 -1.154 . . . . 1.8899999999999999 114.102 179.881 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -87.55 -31.94 19.63 Favored 'General case' 0 C--N 1.37 1.49 0 C-N-CA 126.13 1.772 . . . . 0.82999999999999996 114.597 157.608 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 33.4 mmt-85 -81.79 -41.7 20.78 Favored 'General case' 0 C--N 1.371 1.53 0 CA-C-N 120.872 1.669 . . . . 4.5700000000000003 113.696 179.103 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 66.5 tp60 -90.91 -22.87 20.68 Favored 'General case' 0 C--N 1.367 1.335 0 C-N-CA 127.799 2.439 . . . . 2.5299999999999998 112.979 -170.774 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -150.9 156.85 42.06 Favored 'General case' 0 C--N 1.361 1.068 0 N-CA-C 105.876 -1.898 . . . . 2.04 105.876 -177.159 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.447 ' HG3' HH11 ' A' ' 66' ' ' ARG . 15.5 mtm105 -105.45 -38.04 6.61 Favored 'General case' 0 C--N 1.364 1.208 0 C-N-CA 124.344 1.057 . . . . 4.25 110.535 -178.578 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . 0.484 0.2 OUTLIER -69.46 -84.27 0.03 OUTLIER 'General case' 0 C--N 1.37 1.488 0 N-CA-C 118.72 2.859 . . . . 5.9000000000000004 118.72 -145.478 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -129.58 159.51 36.13 Favored 'General case' 0 C--N 1.37 1.473 1 C-N-CA 136.56 5.944 . . . . 1.23 100.25 15.411 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 24.7 p -74.71 153.08 39.02 Favored 'General case' 0 C--N 1.384 2.096 0 CA-C-N 122.504 2.411 . . . . 2.04 112.589 178.757 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.09 -37.64 40.17 Favored Pre-proline 0 C--N 1.366 1.284 0 N-CA-C 118.558 2.799 . . . . 1.23 118.558 -167.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -68.55 -17.88 43.25 Favored 'Trans proline' 0 C--N 1.364 1.391 0 C-N-CA 124.529 3.486 . . . . 1.03 115.44 173.421 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -106.16 -14.71 15.06 Favored 'General case' 0 C--N 1.363 1.157 0 C-N-CA 125.714 1.605 . . . . 1.7 114.699 174.05 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 46.0 ttp85 -79.67 -46.39 17.25 Favored 'General case' 0 C--N 1.377 1.768 0 C-N-CA 126.294 1.838 . . . . 3.04 111.528 177.473 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -79.35 -27.66 42.0 Favored 'General case' 0 C--N 1.369 1.416 0 C-N-CA 128.212 2.605 . . . . 1.74 112.342 -176.596 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 45.6 t-80 -83.58 -25.75 30.64 Favored 'General case' 0 C--N 1.364 1.208 0 C-N-CA 127.713 2.405 . . . . 2.0099999999999998 111.243 -179.478 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -69.45 -35.65 75.85 Favored 'General case' 0 C--N 1.368 1.391 0 C-N-CA 127.886 2.474 . . . . 1.1899999999999999 112.708 167.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.54 -28.94 62.15 Favored 'General case' 0 C--N 1.362 1.147 0 C-N-CA 126.989 2.116 . . . . 1.0700000000000001 113.822 175.608 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 50.3 m -85.13 -30.55 23.9 Favored 'General case' 0 C--N 1.36 1.038 0 C-N-CA 125.552 1.541 . . . . 1.03 114.538 174.577 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -78.28 -34.85 48.68 Favored 'General case' 0 C--N 1.362 1.117 0 C-N-CA 127.36 2.264 . . . . 2.3500000000000001 112.292 -178.263 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.7 pt -100.65 -21.36 5.14 Favored 'Isoleucine or valine' 0 C--N 1.364 1.238 0 C-N-CA 124.486 1.114 . . . . 1.0700000000000001 111.344 -177.71 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 18.0 tpp180 86.09 66.25 0.01 OUTLIER 'General case' 0 C--N 1.374 1.651 0 C-N-CA 128.975 2.91 . . . . 3.6099999999999999 114.058 170.459 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 85.2 mt -134.52 -163.61 1.4 Allowed 'General case' 0 C--N 1.356 0.87 0 N-CA-C 107.193 -1.41 . . . . 1.1200000000000001 107.193 172.524 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 68.4 p -104.82 148.55 36.28 Favored Pre-proline 0 C--N 1.367 1.332 0 C-N-CA 127.258 2.223 . . . . 1.3600000000000001 107.431 178.039 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_exo -60.18 -20.22 60.72 Favored 'Trans proline' 0 C--N 1.362 1.273 1 C-N-CA 126.073 4.515 . . . . 1.0 116.911 171.039 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.5 t -87.07 -29.99 21.48 Favored 'General case' 0 C--N 1.366 1.286 0 C-N-CA 126.302 1.841 . . . . 1.1299999999999999 111.394 -177.083 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -84.3 -30.8 25.28 Favored 'General case' 0 C--N 1.372 1.574 0 CA-C-N 119.428 1.013 . . . . 1.04 112.602 179.028 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.7 p -67.12 -39.38 83.07 Favored 'Isoleucine or valine' 0 C--N 1.38 1.92 0 C-N-CA 124.995 1.318 . . . . 1.0700000000000001 112.959 168.225 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.68 -53.11 51.88 Favored 'General case' 0 C--N 1.374 1.66 0 C-N-CA 127.77 2.428 . . . . 1.54 115.626 169.479 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.284 5.7 mt -85.02 -5.44 9.66 Favored 'Isoleucine or valine' 0 C--N 1.37 1.474 0 N-CA-C 114.917 1.451 . . . . 1.3200000000000001 114.917 -179.031 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 33.5 t90 -74.74 -42.43 58.28 Favored 'General case' 0 C--N 1.378 1.839 0 C-N-CA 125.376 1.47 . . . . 0.28000000000000003 110.764 166.099 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -84.21 -11.46 56.48 Favored 'General case' 0 C--N 1.366 1.286 0 C-N-CA 126.016 1.726 . . . . 0.46000000000000002 113.725 -179.627 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 -80.83 -35.33 33.05 Favored 'General case' 0 C--N 1.357 0.918 0 C-N-CA 127.522 2.329 . . . . 1.3400000000000001 111.866 170.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 61.2 m-20 -88.98 -42.83 11.55 Favored 'General case' 0 C--N 1.367 1.344 0 C-N-CA 126.261 1.824 . . . . 0.56000000000000005 113.434 -174.541 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -67.73 -18.5 64.92 Favored 'General case' 0 C--N 1.366 1.285 0 N-CA-C 116.893 2.183 . . . . 2.3900000000000001 116.893 -171.735 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 10.9 ptm180 -85.6 64.45 8.63 Favored 'General case' 0 C--N 1.371 1.522 0 C-N-CA 129.7 3.2 . . . . 3.79 115.643 178.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 5.6 t80 18.35 -66.56 0.0 OUTLIER 'General case' 0 N--CA 1.51 2.57 0 C-N-CA 131.411 3.884 . . . . 6.3799999999999999 117.404 107.313 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.7 ptmm? 145.49 108.32 0.0 OUTLIER 'General case' 0 N--CA 1.433 -1.325 1 C-N-CA 135.59 5.556 . . . . 5.9000000000000004 102.289 -169.496 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 34.2 p -81.2 75.28 8.18 Favored 'General case' 0 N--CA 1.436 -1.136 0 C-N-CA 131.071 3.748 . . . . 3.6800000000000002 112.104 -171.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 20.1 ptmt -29.51 67.12 0.0 OUTLIER 'General case' 0 C--N 1.357 0.918 1 C-N-CA 139.764 7.226 . . . . 8.1699999999999999 119.069 -177.762 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.447 HH11 ' HG3' ' A' ' 32' ' ' ARG . 6.7 ptm180 -162.0 -28.44 0.05 OUTLIER 'General case' 0 N--CA 1.446 -0.646 0 C-N-CA 128.745 2.818 . . . . 11.25 104.577 167.667 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.423 ' H ' ' H ' ' A' ' 66' ' ' ARG . . . -96.74 102.9 14.77 Favored 'General case' 0 C--N 1.367 1.352 0 C-N-CA 127.254 2.222 . . . . 9.0999999999999996 108.475 164.772 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -103.04 97.94 7.96 Favored 'General case' 0 C--N 1.363 1.171 0 C-N-CA 126.763 2.025 . . . . 9.5800000000000001 107.103 177.507 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -144.43 69.96 1.28 Allowed 'General case' 0 N--CA 1.44 -0.949 0 N-CA-C 102.837 -3.023 . . . . 12.300000000000001 102.837 -174.147 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.464 ' CD ' ' H ' ' A' ' 70' ' ' GLU 0.259 1.3 pm0 -48.26 -43.85 32.93 Favored 'General case' 0 C--N 1.356 0.889 1 N-CA-C 122.226 4.158 . . . . 12.57 122.226 -167.151 . . . . . . . . 4 3 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -115.42 126.16 54.03 Favored 'General case' 0 C--N 1.373 1.593 0 CA-C-N 123.639 2.927 . . . . 16.329999999999998 108.096 169.735 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 129.59 -50.47 0.89 Allowed Glycine 0 C--N 1.36 1.868 0 N-CA-C 108.232 -1.947 . . . . 15.41 108.232 176.47 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -76.05 -12.25 60.09 Favored 'General case' 0 C--N 1.361 1.072 0 C-N-CA 129.109 2.964 . . . . 13.81 116.664 -173.334 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -85.04 58.2 4.89 Favored 'General case' 0 C--N 1.358 0.975 0 C-N-CA 128.992 2.917 . . . . 14.6 112.404 -176.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 160.27 -104.05 0.24 Allowed Glycine 0 C--N 1.351 1.415 0 N-CA-C 105.726 -2.949 . . . . 15.93 105.726 176.589 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 81.0 m80 -132.78 103.12 13.3 Favored Pre-proline 0 C--N 1.36 1.024 0 N-CA-C 105.785 -1.932 . . . . 18.34 105.785 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo . . . . . 0 C--O 1.261 1.667 0 C-N-CA 124.074 3.183 . . . . 17.68 109.555 179.454 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.457 0 N-CA-C 112.298 0.481 . . . . 17.23 112.298 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.4 p -139.56 -42.93 0.44 Allowed 'General case' 0 C--N 1.359 0.985 0 N-CA-C 106.704 -1.591 . . . . 16.870000000000001 106.704 -175.716 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -141.74 86.74 2.01 Favored 'General case' 0 C--N 1.359 0.999 0 N-CA-C 103.032 -2.951 . . . . 17.010000000000002 103.032 174.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.03 -131.14 2.17 Favored Glycine 0 C--N 1.354 1.578 0 N-CA-C 106.717 -2.553 . . . . 15.789999999999999 106.717 -173.47 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 31.3 mt -118.63 86.29 29.03 Favored Pre-proline 0 C--N 1.364 1.214 0 CA-C-O 117.242 -1.361 . . . . 16.199999999999999 109.447 178.554 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -79.6 134.62 11.15 Favored 'Trans proline' 0 C--N 1.366 1.455 0 C-N-CA 123.348 2.699 . . . . 14.32 111.203 164.024 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -114.51 58.13 0.7 Allowed 'General case' 0 C--N 1.361 1.071 0 N-CA-C 105.443 -2.058 . . . . 15.539999999999999 105.443 175.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 56.2 pttt -158.73 -18.32 0.07 Allowed 'General case' 0 N--CA 1.441 -0.889 0 C-N-CA 126.319 1.848 . . . . 17.23 106.641 -173.773 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -116.54 -68.18 0.94 Allowed 'General case' 0 C--N 1.366 1.319 0 C-N-CA 125.519 1.528 . . . . 14.380000000000001 110.044 -172.539 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.5 tpt180 -153.88 -63.09 0.14 Allowed 'General case' 0 C--N 1.359 1.014 0 N-CA-C 109.123 -0.695 . . . . 13.85 109.123 -167.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . 2.421 58.1 tttp 169.4 -109.86 0.0 OUTLIER 'General case' 0 C--N 1.359 1.019 0 N-CA-C 106.15 -1.796 . . . . 13.210000000000001 106.15 -166.589 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.486 ' H ' ' HD2' ' A' ' 12' ' ' ARG 2.386 6.9 mpt_? 95.79 29.28 0.01 OUTLIER 'General case' 0 N--CA 1.43 -1.461 1 C-N-CA 133.672 4.789 . . . . 10.609999999999999 111.808 6.231 . . . . . . . . 4 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . 2.201 0.0 OUTLIER -44.13 -153.49 0.0 OUTLIER 'General case' 0 C--N 1.366 1.317 2 C-N-CA 133.554 4.742 . . . . 8.1999999999999993 122.734 -177.58 . . . . . . . . 4 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 2.067 16.3 m -68.84 -108.41 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.439 -0.992 1 C-N-CA 135.171 5.388 . . . . 4.3600000000000003 116.048 -170.291 . . . . . . . . 3 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -155.1 145.11 21.68 Favored 'General case' 0 CA--C 1.503 -0.837 0 N-CA-C 107.342 -1.355 . . . . 5.2400000000000002 107.342 73.268 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -104.98 151.8 23.48 Favored 'General case' 0 N--CA 1.434 -1.253 0 C-N-CA 127.444 2.298 . . . . 1.53 111.008 -169.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 24.5 m -106.99 -172.27 2.05 Favored 'General case' 0 C--N 1.365 1.268 0 C-N-CA 127.165 2.186 . . . . 1.3100000000000001 107.96 174.342 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -85.05 7.88 19.89 Favored 'General case' 0 C--N 1.368 1.41 0 C-N-CA 126.852 2.061 . . . . 3.73 114.623 -171.823 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.17 -45.27 12.19 Favored 'General case' 0 C--N 1.361 1.077 0 C-N-CA 126.779 2.032 . . . . 1.1299999999999999 112.141 162.334 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 46.3 mm-40 -77.67 -48.11 17.59 Favored 'General case' 0 C--N 1.37 1.48 0 C-N-CA 127.858 2.463 . . . . 0.85999999999999999 112.092 -169.45 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 62.4 p -66.6 -38.08 86.22 Favored 'General case' 0 C--N 1.374 1.64 0 C-N-CA 127.717 2.407 . . . . 1.1200000000000001 112.513 178.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 49.2 t80 -58.57 -57.13 14.32 Favored 'General case' 0 C--N 1.369 1.422 0 C-N-CA 129.218 3.007 . . . . 1.22 112.69 177.191 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -67.9 -36.66 80.59 Favored 'General case' 0 C--N 1.367 1.352 0 C-N-CA 126.466 1.906 . . . . 1.0600000000000001 115.272 -175.542 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 97.5 mt -67.36 -37.46 83.26 Favored 'General case' 0 C--N 1.364 1.212 0 C-N-CA 126.232 1.813 . . . . 1.05 115.799 176.062 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -76.77 -26.39 54.45 Favored 'General case' 0 C--N 1.36 1.05 0 C-N-CA 126.538 1.935 . . . . 1.6599999999999999 114.579 177.064 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 10.5 mtm180 -70.94 -46.4 62.49 Favored 'General case' 0 C--N 1.375 1.689 0 C-N-CA 124.153 0.981 . . . . 2.54 112.349 174.725 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.322 19.0 mmm-85 -72.79 -22.25 60.86 Favored 'General case' 0 C--N 1.379 1.89 0 N-CA-C 113.22 0.822 . . . . 1.8899999999999999 113.22 -178.034 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -73.64 -33.67 64.63 Favored 'General case' 0 C--N 1.38 1.91 0 C-N-CA 125.718 1.607 . . . . 0.82999999999999996 113.034 169.26 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.8 mmm-85 -73.03 -29.11 62.76 Favored 'General case' 0 C--N 1.369 1.447 0 C-N-CA 126.083 1.753 . . . . 4.5700000000000003 115.422 174.223 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 89.8 mm-40 -92.53 -29.13 16.36 Favored 'General case' 0 C--N 1.363 1.165 0 C-N-CA 126.217 1.807 . . . . 2.5299999999999998 112.775 -179.011 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -158.49 172.42 18.35 Favored 'General case' 0 C--N 1.364 1.228 0 N-CA-C 107.862 -1.162 . . . . 2.04 107.862 179.522 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 60.9 mmt-85 -105.32 -38.66 6.43 Favored 'General case' 0 C--N 1.358 0.946 0 C-N-CA 126.046 1.738 . . . . 4.25 110.0 -176.617 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 -130.69 142.0 50.42 Favored 'General case' 0 C--N 1.359 1.012 0 C-N-CA 125.884 1.674 . . . . 5.9000000000000004 107.028 -174.445 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -146.43 120.16 9.23 Favored 'General case' 0 CA--C 1.501 -0.925 0 N-CA-C 103.272 -2.862 . . . . 1.23 103.272 -172.419 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 10.7 m -97.62 165.94 11.74 Favored 'General case' 0 C--N 1.366 1.311 0 C-N-CA 126.534 1.934 . . . . 2.04 108.698 -169.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -42.9 -36.82 1.73 Allowed Pre-proline 0 C--N 1.367 1.347 0 N-CA-C 121.402 3.853 . . . . 1.23 121.402 -170.113 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_exo -67.26 -32.76 32.5 Favored 'Trans proline' 0 C--N 1.361 1.193 0 C-N-CA 124.315 3.343 . . . . 1.03 115.064 174.619 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -102.86 -20.3 14.34 Favored 'General case' 0 C--N 1.362 1.118 0 C-N-CA 126.365 1.866 . . . . 1.7 114.785 177.124 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 43.0 ttp180 -80.17 -42.06 24.12 Favored 'General case' 0 C--N 1.374 1.663 0 C-N-CA 126.323 1.849 . . . . 3.04 111.712 -179.318 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -80.75 -20.11 43.45 Favored 'General case' 0 C--N 1.368 1.396 0 C-N-CA 126.43 1.892 . . . . 1.74 112.129 -178.323 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 44.5 t-80 -80.68 -27.66 37.0 Favored 'General case' 0 C--N 1.365 1.282 0 C-N-CA 128.102 2.561 . . . . 2.0099999999999998 111.781 175.212 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -74.42 -31.4 62.3 Favored 'General case' 0 C--N 1.37 1.464 0 C-N-CA 128.169 2.588 . . . . 1.1899999999999999 112.369 172.122 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -80.28 -27.02 38.64 Favored 'General case' 0 C--N 1.364 1.234 0 C-N-CA 127.669 2.388 . . . . 1.0700000000000001 112.936 176.527 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 70.8 m -85.16 -26.3 26.91 Favored 'General case' 0 C--N 1.36 1.05 0 C-N-CA 126.099 1.76 . . . . 1.03 113.298 173.429 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 50.4 tp -74.4 -39.31 62.76 Favored 'General case' 0 C--N 1.362 1.139 0 C-N-CA 127.451 2.3 . . . . 2.3500000000000001 112.462 176.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.4 pt -106.09 -17.86 7.41 Favored 'Isoleucine or valine' 0 C--N 1.366 1.295 0 C-N-CA 123.698 0.799 . . . . 1.0700000000000001 112.136 -173.726 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 12.4 tpp180 87.89 66.54 0.01 OUTLIER 'General case' 0 C--N 1.373 1.606 0 C-N-CA 129.277 3.031 . . . . 3.6099999999999999 114.047 169.055 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 87.0 mt -136.17 -167.58 2.07 Favored 'General case' 0 C--N 1.362 1.152 0 C-N-CA 124.18 0.992 . . . . 1.1200000000000001 109.515 176.443 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 80.0 p -100.96 148.37 34.98 Favored Pre-proline 0 C--N 1.369 1.451 0 C-N-CA 128.084 2.554 . . . . 1.3600000000000001 108.58 178.103 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_exo -59.42 -21.25 60.4 Favored 'Trans proline' 0 C--N 1.365 1.412 1 C-N-CA 126.474 4.783 . . . . 1.0 117.122 171.439 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.8 t -87.34 -31.48 20.14 Favored 'General case' 0 C--N 1.365 1.261 0 C-N-CA 126.041 1.737 . . . . 1.1299999999999999 111.137 -175.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -83.13 -29.93 28.3 Favored 'General case' 0 C--N 1.37 1.466 0 CA-C-N 119.556 1.071 . . . . 1.04 112.633 178.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.2 p -69.54 -40.91 80.2 Favored 'Isoleucine or valine' 0 C--N 1.38 1.907 0 C-N-CA 124.52 1.128 . . . . 1.0700000000000001 112.549 170.751 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.9 tppt? -57.87 -44.76 86.83 Favored 'General case' 0 C--N 1.371 1.526 0 C-N-CA 127.977 2.511 . . . . 1.54 114.058 173.631 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.303 4.8 mt -88.85 -6.35 10.76 Favored 'Isoleucine or valine' 0 C--N 1.367 1.348 0 N-CA-C 115.454 1.649 . . . . 1.3200000000000001 115.454 179.536 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 40.1 t90 -75.03 -40.48 60.43 Favored 'General case' 0 C--N 1.378 1.831 0 CA-C-N 120.32 1.418 . . . . 0.28000000000000003 111.342 166.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -80.74 -15.78 55.57 Favored 'General case' 0 C--N 1.367 1.366 0 C-N-CA 126.388 1.875 . . . . 0.46000000000000002 113.361 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -79.0 -33.81 44.65 Favored 'General case' 0 C--N 1.361 1.068 0 C-N-CA 127.691 2.396 . . . . 1.3400000000000001 112.57 171.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -94.9 -35.82 11.87 Favored 'General case' 0 C--N 1.367 1.336 0 C-N-CA 125.662 1.585 . . . . 0.56000000000000005 114.652 -174.736 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -84.43 6.57 22.82 Favored 'General case' 0 C--N 1.364 1.209 0 N-CA-C 115.152 1.538 . . . . 2.3900000000000001 115.152 -170.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . 0.352 0.0 OUTLIER -67.81 -48.37 66.44 Favored 'General case' 0 C--N 1.37 1.466 0 N-CA-C 117.736 2.495 . . . . 3.79 117.736 -177.674 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . 2.175 37.5 m-85 112.94 -79.44 0.0 OUTLIER 'General case' 0 C--N 1.361 1.078 0 CA-C-O 122.536 1.16 . . . . 6.3799999999999999 108.887 174.137 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . 0.305 0.5 OUTLIER 84.15 36.54 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 127.731 2.413 . . . . 5.9000000000000004 113.352 -118.872 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 4.0 m -101.11 -32.46 10.56 Favored 'General case' 0 C--N 1.372 1.564 0 C-N-CA 126.014 1.726 . . . . 3.6800000000000002 115.011 -173.695 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.7 pttp -82.89 -22.0 34.08 Favored 'General case' 0 C--N 1.371 1.515 0 N-CA-C 116.863 2.171 . . . . 8.1699999999999999 116.863 -154.14 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 6.7 tpp180 -136.7 -155.31 0.61 Allowed 'General case' 0 C--N 1.359 0.988 0 N-CA-C 105.73 -1.952 . . . . 11.25 105.73 -168.675 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -100.03 55.56 0.93 Allowed 'General case' 0 C--N 1.368 1.39 0 CA-C-O 123.033 1.397 . . . . 9.0999999999999996 109.325 165.754 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -105.49 93.99 4.97 Favored 'General case' 0 N--CA 1.441 -0.878 0 C-N-CA 128.248 2.619 . . . . 9.5800000000000001 106.129 169.367 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -139.35 56.05 1.67 Allowed 'General case' 0 N--CA 1.443 -0.794 0 N-CA-C 105.48 -2.044 . . . . 12.300000000000001 105.48 -178.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . 0.36 10.3 pt-20 -48.79 -51.68 27.92 Favored 'General case' 0 C--N 1.366 1.295 0 N-CA-C 121.189 3.774 . . . . 12.57 121.189 -170.833 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.529 ' H ' ' HD2' ' A' ' 71' ' ' LYS . 0.0 OUTLIER -102.48 122.74 44.92 Favored 'General case' 0 C--N 1.372 1.575 0 CA-C-N 122.904 2.593 . . . . 16.329999999999998 109.181 167.752 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 133.46 -52.2 0.83 Allowed Glycine 0 C--N 1.356 1.651 0 N-CA-C 107.8 -2.12 . . . . 15.41 107.8 175.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -75.4 -18.79 59.84 Favored 'General case' 0 C--N 1.365 1.258 0 C-N-CA 127.819 2.448 . . . . 13.81 116.264 -173.641 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -100.66 62.59 1.04 Allowed 'General case' 0 C--N 1.356 0.855 0 C-N-CA 129.085 2.954 . . . . 14.6 107.291 177.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 174.97 -83.52 0.07 OUTLIER Glycine 0 C--N 1.353 1.501 0 N-CA-C 105.166 -3.174 . . . . 15.93 105.166 -173.032 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 62.8 t-80 -113.13 101.04 52.89 Favored Pre-proline 0 C--N 1.365 1.24 0 C-N-CA 125.458 1.503 . . . . 18.34 107.13 172.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo . . . . . 0 C--O 1.262 1.682 0 C-N-CA 123.724 2.949 . . . . 17.68 109.647 175.904 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.426 0 N-CA-C 111.593 0.22 . . . . 17.23 111.593 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.1 m -134.15 -41.84 0.81 Allowed 'General case' 0 C--N 1.362 1.142 0 N-CA-C 106.427 -1.694 . . . . 16.870000000000001 106.427 176.738 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 52.8 m-20 -131.54 100.35 5.11 Favored 'General case' 0 C--N 1.361 1.097 0 N-CA-C 105.921 -1.881 . . . . 17.010000000000002 105.921 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.41 -142.94 4.06 Favored Glycine 0 C--N 1.357 1.737 0 N-CA-C 107.043 -2.423 . . . . 15.789999999999999 107.043 178.493 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.438 ' H ' ' HD2' ' A' ' 6' ' ' PRO 0.251 21.3 mt -119.71 -50.69 0.04 OUTLIER Pre-proline 0 C--N 1.361 1.093 0 C-N-CA 126.845 2.058 . . . . 16.199999999999999 108.827 173.497 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.438 ' HD2' ' H ' ' A' ' 5' ' ' LEU . 61.0 Cg_endo -77.44 130.26 10.77 Favored 'Trans proline' 0 C--N 1.368 1.557 0 C-N-CA 124.552 3.502 . . . . 14.32 109.694 160.026 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -141.49 -165.63 2.02 Favored 'General case' 0 C--N 1.358 0.965 0 N-CA-C 108.078 -1.082 . . . . 15.539999999999999 108.078 -164.154 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.414 ' HG2' ' H ' ' A' ' 9' ' ' LYS . 15.5 ttpp -139.08 -157.72 0.79 Allowed 'General case' 0 C--N 1.359 1.0 0 N-CA-C 105.285 -2.117 . . . . 17.23 105.285 176.437 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.414 ' H ' ' HG2' ' A' ' 8' ' ' LYS . 16.4 tppt? -114.56 73.99 0.85 Allowed 'General case' 0 C--N 1.362 1.114 0 C-N-CA 126.163 1.785 . . . . 14.380000000000001 107.191 -175.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 64.4 mtm180 -138.97 -52.56 0.56 Allowed 'General case' 0 C--N 1.359 1.012 0 N-CA-C 105.593 -2.003 . . . . 13.85 105.593 179.021 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -116.53 92.36 3.85 Favored 'General case' 0 C--N 1.362 1.13 0 N-CA-C 105.149 -2.167 . . . . 13.210000000000001 105.149 173.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 28.3 ttp85 -60.15 117.16 4.81 Favored 'General case' 0 C--N 1.364 1.213 0 C-N-CA 130.223 3.409 . . . . 10.609999999999999 118.361 -162.574 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 45.8 mmm-85 -105.32 -171.22 1.87 Allowed 'General case' 0 C--N 1.36 1.054 0 C-N-CA 128.807 2.843 . . . . 8.1999999999999993 107.546 179.697 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.348 37.4 t -97.4 21.03 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.435 -1.187 1 C-N-CA 132.339 4.256 . . . . 4.3600000000000003 110.426 -173.478 . . . . . . . . 3 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -83.17 113.46 20.67 Favored 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 128.87 2.868 . . . . 5.2400000000000002 110.717 -175.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -105.14 152.84 22.31 Favored 'General case' 0 C--N 1.363 1.159 0 C-N-CA 126.426 1.891 . . . . 1.53 111.843 -170.241 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 27.3 m -111.85 -170.1 1.59 Allowed 'General case' 0 C--N 1.365 1.248 0 C-N-CA 126.834 2.053 . . . . 1.3100000000000001 107.214 167.046 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.37 -7.79 56.65 Favored 'General case' 0 C--N 1.369 1.419 0 C-N-CA 126.927 2.091 . . . . 3.73 116.206 -168.448 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -82.59 -38.2 23.97 Favored 'General case' 0 C--N 1.364 1.238 0 C-N-CA 126.432 1.893 . . . . 1.1299999999999999 112.419 171.076 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 45.7 mm-40 -77.96 -42.64 32.24 Favored 'General case' 0 C--N 1.368 1.385 0 C-N-CA 127.562 2.345 . . . . 0.85999999999999999 111.326 -173.125 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 77.9 p -68.38 -36.49 79.24 Favored 'General case' 0 C--N 1.372 1.584 0 C-N-CA 127.484 2.314 . . . . 1.1200000000000001 112.524 178.549 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 54.0 t80 -63.34 -51.92 63.97 Favored 'General case' 0 C--N 1.371 1.501 0 C-N-CA 129.346 3.058 . . . . 1.22 112.917 178.771 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -73.23 -34.79 66.08 Favored 'General case' 0 C--N 1.361 1.068 0 N-CA-C 115.237 1.569 . . . . 1.0600000000000001 115.237 -176.555 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 84.5 mt -69.25 -43.03 74.8 Favored 'General case' 0 C--N 1.366 1.303 0 C-N-CA 126.114 1.765 . . . . 1.05 114.456 176.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -69.86 -32.27 70.56 Favored 'General case' 0 C--N 1.363 1.171 0 C-N-CA 126.05 1.74 . . . . 1.6599999999999999 115.433 174.082 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.7 ptm180 -80.05 -27.69 39.38 Favored 'General case' 0 C--N 1.369 1.442 0 N-CA-C 115.39 1.626 . . . . 2.54 115.39 -177.204 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.266 33.1 mmm-85 -74.8 -28.44 60.72 Favored 'General case' 0 C--N 1.372 1.57 0 C-N-CA 124.309 1.044 . . . . 1.8899999999999999 112.073 165.098 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -68.88 -33.74 74.28 Favored 'General case' 0 C--N 1.375 1.713 0 C-N-CA 126.146 1.778 . . . . 0.82999999999999996 113.983 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 37.4 mmt-85 -81.72 -15.27 54.93 Favored 'General case' 0 C--N 1.363 1.18 0 C-N-CA 124.887 1.275 . . . . 4.5700000000000003 114.217 -178.518 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 88.8 mm-40 -95.2 -29.67 14.41 Favored 'General case' 0 C--N 1.369 1.431 0 C-N-CA 125.943 1.697 . . . . 2.5299999999999998 113.058 172.046 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -164.97 154.57 13.13 Favored 'General case' 0 C--N 1.365 1.26 0 N-CA-C 105.351 -2.092 . . . . 2.04 105.351 -168.572 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 83.3 mtt-85 -102.83 -34.47 8.98 Favored 'General case' 0 C--N 1.362 1.141 0 O-C-N 120.842 -1.161 . . . . 4.25 108.915 -178.725 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 44.6 p90 -115.37 142.68 46.37 Favored 'General case' 0 N--CA 1.441 -0.925 0 C-N-CA 127.089 2.156 . . . . 5.9000000000000004 107.611 -178.17 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -150.5 121.82 7.85 Favored 'General case' 0 CA--C 1.497 -1.066 0 N-CA-C 102.466 -3.161 . . . . 1.23 102.466 -173.121 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 26.1 p -87.23 167.48 14.07 Favored 'General case' 0 C--N 1.366 1.305 0 C-N-CA 127.406 2.282 . . . . 2.04 110.008 -170.609 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.48 -35.53 16.3 Favored Pre-proline 0 C--N 1.366 1.32 0 N-CA-C 120.059 3.355 . . . . 1.23 120.059 -172.502 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -67.69 -31.07 33.5 Favored 'Trans proline' 0 C--N 1.362 1.237 0 C-N-CA 124.318 3.345 . . . . 1.03 115.281 173.369 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -100.15 -21.23 15.62 Favored 'General case' 0 C--N 1.363 1.162 0 C-N-CA 126.559 1.943 . . . . 1.7 114.4 177.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 35.4 ttm180 -79.58 -41.98 25.99 Favored 'General case' 0 C--N 1.373 1.606 0 C-N-CA 127.063 2.145 . . . . 3.04 111.282 -178.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -81.38 -20.43 40.54 Favored 'General case' 0 C--N 1.369 1.433 0 C-N-CA 126.995 2.118 . . . . 1.74 112.224 -177.652 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 47.9 t-80 -81.65 -27.16 34.24 Favored 'General case' 0 C--N 1.366 1.286 0 C-N-CA 128.225 2.61 . . . . 2.0099999999999998 111.634 175.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -75.3 -32.12 60.89 Favored 'General case' 0 C--N 1.369 1.433 0 C-N-CA 128.169 2.588 . . . . 1.1899999999999999 112.488 172.032 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.27 -25.96 36.14 Favored 'General case' 0 C--N 1.364 1.223 0 C-N-CA 127.727 2.411 . . . . 1.0700000000000001 113.021 177.776 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 69.5 m -85.15 -27.1 26.43 Favored 'General case' 0 C--N 1.359 1.007 0 C-N-CA 125.955 1.702 . . . . 1.03 113.085 173.354 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.0 tt -72.89 -40.49 65.53 Favored 'General case' 0 C--N 1.363 1.183 0 C-N-CA 127.774 2.43 . . . . 2.3500000000000001 112.581 175.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.3 pt -106.0 -17.27 7.72 Favored 'Isoleucine or valine' 0 C--N 1.365 1.252 0 C-N-CA 123.812 0.845 . . . . 1.0700000000000001 111.887 -173.296 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 22.8 tpt180 91.22 61.86 0.0 OUTLIER 'General case' 0 C--N 1.374 1.631 0 C-N-CA 129.436 3.094 . . . . 3.6099999999999999 114.377 163.662 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 68.8 mt -131.83 -168.08 1.97 Allowed 'General case' 0 C--N 1.365 1.252 0 O-C-N 121.239 -0.913 . . . . 1.1200000000000001 111.425 -178.405 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 64.4 p -98.32 147.6 33.35 Favored Pre-proline 0 C--N 1.371 1.511 0 C-N-CA 128.066 2.546 . . . . 1.3600000000000001 108.803 175.77 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_exo -61.83 -18.46 60.98 Favored 'Trans proline' 0 C--N 1.366 1.454 1 C-N-CA 126.171 4.58 . . . . 1.0 116.576 172.58 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.6 t -88.25 -30.84 19.38 Favored 'General case' 0 C--N 1.365 1.247 0 C-N-CA 126.683 1.993 . . . . 1.1299999999999999 111.332 -176.75 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -83.12 -31.44 27.23 Favored 'General case' 0 C--N 1.371 1.535 0 CA-C-N 119.845 1.202 . . . . 1.04 112.161 178.159 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.1 p -67.69 -42.0 85.97 Favored 'Isoleucine or valine' 0 C--N 1.382 1.993 0 C-N-CA 124.237 1.015 . . . . 1.0700000000000001 112.907 169.511 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.08 -48.66 73.22 Favored 'General case' 0 C--N 1.372 1.555 0 C-N-CA 127.075 2.15 . . . . 1.54 115.781 172.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.288 5.9 mt -86.56 -8.48 11.08 Favored 'Isoleucine or valine' 0 C--N 1.366 1.305 0 N-CA-C 114.961 1.467 . . . . 1.3200000000000001 114.961 -178.511 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 34.1 t90 -74.28 -42.65 59.23 Favored 'General case' 0 C--N 1.379 1.866 0 CA-C-N 120.097 1.317 . . . . 0.28000000000000003 111.325 166.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -83.64 -10.88 57.91 Favored 'General case' 0 C--N 1.368 1.377 0 C-N-CA 126.166 1.786 . . . . 0.46000000000000002 113.766 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -76.58 -42.1 43.92 Favored 'General case' 0 C--N 1.359 0.984 0 C-N-CA 127.345 2.258 . . . . 1.3400000000000001 112.294 170.301 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -91.69 -23.13 19.9 Favored 'General case' 0 C--N 1.366 1.31 0 C-N-CA 125.71 1.604 . . . . 0.56000000000000005 113.9 -173.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 2.3 m80 -86.56 -17.01 35.1 Favored 'General case' 0 C--N 1.364 1.234 0 N-CA-C 115.457 1.651 . . . . 2.3900000000000001 115.457 -175.208 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -89.67 69.56 7.75 Favored 'General case' 0 C--N 1.369 1.452 0 C-N-CA 127.741 2.417 . . . . 3.79 108.049 155.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 4.7 p90 -169.87 113.88 0.5 Allowed 'General case' 0 N--CA 1.424 -1.734 1 C-N-CA 132.896 4.479 . . . . 6.3799999999999999 105.045 34.2 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . 2.124 13.9 mmmm -68.09 -29.91 68.97 Favored 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 127.04 2.136 . . . . 5.9000000000000004 115.322 123.333 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . 0.323 19.1 p -95.68 -104.25 0.16 Allowed 'General case' 0 C--N 1.364 1.202 0 C-N-CA 126.555 1.942 . . . . 3.6800000000000002 115.73 -150.158 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 44.5 pttt -90.88 91.28 8.28 Favored 'General case' 0 C--N 1.378 1.837 0 C-N-CA 130.249 3.42 . . . . 8.1699999999999999 107.088 -178.668 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 14.0 mmm180 -54.63 111.15 0.75 Allowed 'General case' 0 C--N 1.349 0.587 1 C-N-CA 132.436 4.295 . . . . 11.25 114.716 -173.704 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -100.26 117.45 34.51 Favored 'General case' 0 C--N 1.362 1.12 0 C-N-CA 127.276 2.23 . . . . 9.0999999999999996 106.22 173.025 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 38.5 mm-40 -101.35 90.45 4.1 Favored 'General case' 0 C--N 1.362 1.12 0 CA-C-O 123.002 1.382 . . . . 9.5800000000000001 109.837 -169.371 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 14.2 p30 -121.9 27.99 7.82 Favored 'General case' 0 CA--C 1.508 -0.659 0 C-N-CA 127.663 2.385 . . . . 12.300000000000001 113.106 -169.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -85.33 140.87 30.46 Favored 'General case' 0 C--N 1.357 0.933 0 C-N-CA 127.628 2.371 . . . . 12.57 107.74 147.764 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -94.92 127.79 41.22 Favored 'General case' 0 C--N 1.346 0.437 0 C-N-CA 131.268 3.827 . . . . 16.329999999999998 108.926 -10.492 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 173.04 -76.61 0.09 OUTLIER Glycine 0 C--N 1.358 1.781 0 N-CA-C 108.996 -1.642 . . . . 15.41 108.996 -175.095 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -77.04 -18.65 57.97 Favored 'General case' 0 C--N 1.354 0.79 0 C-N-CA 130.531 3.532 . . . . 13.81 117.199 -166.519 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 33.6 mp0 -101.03 63.24 1.0 Allowed 'General case' 0 C--N 1.353 0.733 0 C-N-CA 128.06 2.544 . . . . 14.6 109.812 176.502 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 111.94 -104.84 1.71 Allowed Glycine 0 C--N 1.361 1.936 0 N-CA-C 108.457 -1.857 . . . . 15.93 108.457 -179.502 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 77.3 m80 -140.89 157.23 67.89 Favored Pre-proline 0 C--N 1.359 1.016 0 N-CA-C 105.628 -1.99 . . . . 18.34 105.628 -179.711 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo . . . . . 0 C--O 1.263 1.731 0 C-N-CA 123.861 3.041 . . . . 17.68 109.376 173.311 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.132 0 CA-C-O 121.18 0.514 . . . . 17.23 111.161 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.2 m -148.32 -132.84 0.06 Allowed 'General case' 0 C--N 1.363 1.173 0 N-CA-C 103.849 -2.648 . . . . 16.870000000000001 103.849 177.772 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -149.87 65.67 0.98 Allowed 'General case' 0 C--N 1.358 0.945 0 N-CA-C 103.451 -2.796 . . . . 17.010000000000002 103.451 175.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.56 -135.19 3.46 Favored Glycine 0 C--N 1.355 1.59 0 N-CA-C 106.921 -2.472 . . . . 15.789999999999999 106.921 -176.761 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 35.4 mt -124.3 90.13 51.16 Favored Pre-proline 0 C--N 1.361 1.102 0 CA-C-O 116.949 -1.501 . . . . 16.199999999999999 108.181 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -80.9 124.94 5.21 Favored 'Trans proline' 0 C--N 1.366 1.483 0 C-N-CA 123.759 2.973 . . . . 14.32 109.732 166.307 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -114.02 45.14 1.53 Allowed 'General case' 0 C--N 1.361 1.104 0 C-N-CA 125.581 1.553 . . . . 15.539999999999999 109.018 -167.085 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -160.62 -36.78 0.05 Allowed 'General case' 0 C--N 1.357 0.919 0 N-CA-C 107.003 -1.48 . . . . 17.23 107.003 -176.149 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 60.8 tttm -93.68 -62.17 1.41 Allowed 'General case' 0 C--N 1.365 1.254 0 C-N-CA 126.382 1.873 . . . . 14.380000000000001 110.224 -174.539 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 2.45 14.5 ptt180 122.85 161.0 0.0 OUTLIER 'General case' 0 C--N 1.36 1.05 0 N-CA-C 105.368 -2.086 . . . . 13.85 105.368 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.574 ' HB3' ' HA ' ' A' ' 12' ' ' ARG 0.304 2.7 tmtp? -128.44 -85.17 0.57 Allowed 'General case' 0 C--N 1.361 1.096 0 CA-C-O 117.282 -1.342 . . . . 13.210000000000001 108.889 -172.974 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.574 ' HA ' ' HB3' ' A' ' 11' ' ' LYS 2.43 35.3 ttt180 77.48 112.39 0.07 Allowed 'General case' 0 C--N 1.373 1.596 1 C-N-CA 137.285 6.234 . . . . 10.609999999999999 115.007 -3.884 . . . . . . . . 4 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . 2.159 0.0 OUTLIER -43.07 -125.15 0.0 OUTLIER 'General case' 0 C--N 1.365 1.258 1 C-N-CA 134.262 5.025 . . . . 8.1999999999999993 121.612 -169.406 . . . . . . . . 4 3 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.6 m -91.27 149.25 4.14 Favored 'Isoleucine or valine' 0 C--N 1.353 0.72 0 C-N-CA 130.097 3.359 . . . . 4.3600000000000003 108.292 -177.203 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -168.57 138.33 2.38 Favored 'General case' 0 C--N 1.357 0.906 0 N-CA-C 107.119 -1.438 . . . . 5.2400000000000002 107.119 -176.695 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . 2.264 75.5 m-85 -34.52 -17.65 0.0 OUTLIER 'General case' 0 C--N 1.372 1.56 2 C-N-CA 134.753 5.221 . . . . 1.53 124.277 -175.532 . . . . . . . . 3 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 13.3 m -73.79 -178.43 3.19 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 129.699 3.2 . . . . 1.3100000000000001 115.974 -136.265 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 50.1 pttt -78.59 6.33 8.96 Favored 'General case' 0 C--N 1.373 1.599 0 C-N-CA 127.502 2.321 . . . . 3.73 115.417 -173.549 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.31 -52.47 5.87 Favored 'General case' 0 C--N 1.361 1.082 0 C-N-CA 127.195 2.198 . . . . 1.1299999999999999 110.847 160.402 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 44.4 mm-40 -66.64 -50.28 63.47 Favored 'General case' 0 C--N 1.375 1.706 0 C-N-CA 128.804 2.841 . . . . 0.85999999999999999 113.494 -177.018 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 59.9 p -70.48 -35.2 73.14 Favored 'General case' 0 C--N 1.366 1.298 0 C-N-CA 126.953 2.101 . . . . 1.1200000000000001 113.26 -178.049 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 51.8 t80 -64.44 -49.74 70.27 Favored 'General case' 0 C--N 1.367 1.361 0 C-N-CA 127.748 2.419 . . . . 1.22 113.273 178.78 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -74.4 -34.75 63.37 Favored 'General case' 0 C--N 1.358 0.958 0 N-CA-C 115.326 1.602 . . . . 1.0600000000000001 115.326 -176.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 90.3 mt -70.79 -43.36 68.86 Favored 'General case' 0 C--N 1.363 1.164 0 C-N-CA 126.1 1.76 . . . . 1.05 114.486 177.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 75.9 mt-10 -69.34 -32.62 71.83 Favored 'General case' 0 C--N 1.363 1.191 0 C-N-CA 127.222 2.209 . . . . 1.6599999999999999 115.404 173.286 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.8 ptm180 -79.04 -27.01 43.13 Favored 'General case' 0 C--N 1.369 1.431 0 N-CA-C 115.016 1.487 . . . . 2.54 115.016 -178.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 38.0 mmm-85 -76.18 -30.25 57.98 Favored 'General case' 0 C--N 1.368 1.407 0 C-N-CA 124.158 0.983 . . . . 1.8899999999999999 112.334 164.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -68.1 -34.23 76.01 Favored 'General case' 0 C--N 1.375 1.708 0 C-N-CA 126.879 2.072 . . . . 0.82999999999999996 114.037 -174.587 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 45.6 mmt-85 -77.24 -21.44 53.74 Favored 'General case' 0 C--N 1.364 1.203 0 C-N-CA 125.454 1.502 . . . . 4.5700000000000003 114.766 178.12 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 65.3 tp60 -94.04 -27.99 15.99 Favored 'General case' 0 N--CA 1.433 -1.315 0 C-N-CA 128.344 2.657 . . . . 2.5299999999999998 112.53 178.391 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -171.15 152.83 3.53 Favored 'General case' 0 C--N 1.367 1.362 0 N-CA-C 107.024 -1.473 . . . . 2.04 107.024 -168.066 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 23.8 mmt85 -105.07 -34.62 7.91 Favored 'General case' 0 C--N 1.361 1.099 0 C-N-CA 125.122 1.369 . . . . 4.25 110.369 -177.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 52.9 m-85 -122.89 139.74 53.72 Favored 'General case' 0 C--N 1.356 0.888 0 C-N-CA 125.379 1.471 . . . . 5.9000000000000004 107.576 179.599 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -144.47 122.21 11.9 Favored 'General case' 0 CA--C 1.502 -0.894 0 N-CA-C 102.455 -3.165 . . . . 1.23 102.455 -169.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 25.6 p -86.8 165.85 15.68 Favored 'General case' 0 C--N 1.366 1.293 0 C-N-CA 127.73 2.412 . . . . 2.04 110.724 -170.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.63 -37.27 15.98 Favored Pre-proline 0 C--N 1.367 1.333 0 N-CA-C 120.683 3.586 . . . . 1.23 120.683 -170.573 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -67.7 -29.79 35.42 Favored 'Trans proline' 0 C--N 1.361 1.19 0 C-N-CA 124.337 3.358 . . . . 1.03 115.006 175.082 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -102.22 -21.04 14.44 Favored 'General case' 0 C--N 1.361 1.094 0 C-N-CA 126.605 1.962 . . . . 1.7 114.603 177.363 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 43.0 ttp180 -80.66 -41.67 23.41 Favored 'General case' 0 C--N 1.372 1.576 0 C-N-CA 126.453 1.901 . . . . 3.04 112.059 -178.439 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -80.42 -22.07 41.56 Favored 'General case' 0 C--N 1.367 1.344 0 C-N-CA 127.402 2.281 . . . . 1.74 111.861 -178.432 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 21.2 t60 -82.53 -26.23 32.68 Favored 'General case' 0 C--N 1.367 1.333 0 C-N-CA 127.84 2.456 . . . . 2.0099999999999998 111.299 177.282 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -75.8 -31.65 59.54 Favored 'General case' 0 C--N 1.368 1.398 0 C-N-CA 128.423 2.689 . . . . 1.1899999999999999 112.07 172.549 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.32 -28.53 42.15 Favored 'General case' 0 C--N 1.365 1.28 0 C-N-CA 128.067 2.547 . . . . 1.0700000000000001 113.21 177.042 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 70.4 m -85.21 -25.06 27.57 Favored 'General case' 0 C--N 1.361 1.083 0 C-N-CA 126.053 1.741 . . . . 1.03 113.414 174.443 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -73.71 -41.52 62.46 Favored 'General case' 0 C--N 1.362 1.11 0 C-N-CA 127.628 2.371 . . . . 2.3500000000000001 112.231 175.663 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.3 pt -105.64 -15.31 8.62 Favored 'Isoleucine or valine' 0 C--N 1.364 1.239 0 C-N-CA 123.768 0.827 . . . . 1.0700000000000001 112.577 -171.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 7.9 tpp180 85.19 65.42 0.01 OUTLIER 'General case' 0 C--N 1.372 1.555 0 C-N-CA 128.748 2.819 . . . . 3.6099999999999999 114.057 171.161 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 92.0 mt -136.25 -172.8 3.23 Favored 'General case' 0 C--N 1.363 1.173 0 O-C-N 121.436 -0.79 . . . . 1.1200000000000001 109.485 175.087 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 81.9 p -94.48 147.21 32.87 Favored Pre-proline 0 C--N 1.371 1.521 0 C-N-CA 127.876 2.47 . . . . 1.3600000000000001 108.758 177.036 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_exo -60.98 -21.62 71.98 Favored 'Trans proline' 0 C--N 1.364 1.344 1 C-N-CA 126.226 4.617 . . . . 1.0 116.52 172.659 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.4 t -88.45 -29.03 20.48 Favored 'General case' 0 C--N 1.366 1.311 0 C-N-CA 125.99 1.716 . . . . 1.1299999999999999 111.281 -175.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -82.6 -32.23 28.51 Favored 'General case' 0 C--N 1.372 1.55 0 CA-C-N 119.672 1.124 . . . . 1.04 112.513 177.478 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.9 p -68.29 -42.35 84.38 Favored 'Isoleucine or valine' 0 C--N 1.38 1.901 0 C-N-CA 125.158 1.383 . . . . 1.0700000000000001 112.708 172.641 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.31 -49.91 72.96 Favored 'General case' 0 C--N 1.372 1.577 0 C-N-CA 128.409 2.684 . . . . 1.54 114.105 172.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.285 6.1 mt -85.44 -5.28 9.66 Favored 'Isoleucine or valine' 0 C--N 1.367 1.33 0 N-CA-C 115.078 1.51 . . . . 1.3200000000000001 115.078 -179.589 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 28.9 t90 -74.43 -43.17 57.43 Favored 'General case' 0 C--N 1.378 1.837 0 C-N-CA 125.586 1.554 . . . . 0.28000000000000003 110.762 166.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -83.14 -15.64 49.92 Favored 'General case' 0 C--N 1.37 1.488 0 C-N-CA 125.703 1.601 . . . . 0.46000000000000002 113.663 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -76.22 -36.96 58.33 Favored 'General case' 0 C--N 1.364 1.204 0 C-N-CA 127.354 2.261 . . . . 1.3400000000000001 112.32 174.473 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 72.5 m-20 -89.26 -21.48 23.19 Favored 'General case' 0 C--N 1.365 1.241 0 C-N-CA 126.446 1.898 . . . . 0.56000000000000005 113.292 -177.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -84.74 -21.09 30.17 Favored 'General case' 0 C--N 1.365 1.254 0 N-CA-C 115.879 1.807 . . . . 2.3900000000000001 115.879 -172.44 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . 0.341 2.7 ppt_? -78.7 -35.4 45.04 Favored 'General case' 0 C--N 1.369 1.42 0 C-N-CA 124.586 1.154 . . . . 3.79 113.546 -179.038 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 24.8 p90 -164.47 118.24 1.37 Allowed 'General case' 0 N--CA 1.429 -1.487 0 N-CA-C 104.103 -2.555 . . . . 6.3799999999999999 104.103 158.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 24.8 tptp -129.72 97.05 4.4 Favored 'General case' 0 N--CA 1.444 -0.769 0 N-CA-C 104.798 -2.297 . . . . 5.9000000000000004 104.798 65.629 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . 0.294 1.2 p -42.44 80.56 0.0 OUTLIER 'General case' 0 C--N 1.374 1.651 1 C-N-CA 134.728 5.211 . . . . 3.6800000000000002 117.243 -158.542 . . . . . . . . 3 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.0 ptmm? -88.75 -3.14 58.84 Favored 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 130.792 3.637 . . . . 8.1699999999999999 114.96 -175.052 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.61 -53.1 2.61 Favored 'General case' 0 C--N 1.364 1.22 0 C-N-CA 125.357 1.463 . . . . 11.25 107.955 -178.631 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -99.98 90.81 4.53 Favored 'General case' 0 C--N 1.364 1.209 0 C-N-CA 125.342 1.457 . . . . 9.0999999999999996 109.269 179.618 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -105.36 100.86 10.42 Favored 'General case' 0 CA--C 1.504 -0.812 0 C-N-CA 126.311 1.845 . . . . 9.5800000000000001 108.054 178.586 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -141.22 66.8 1.36 Allowed 'General case' 0 CA--C 1.498 -1.045 0 N-CA-C 105.985 -1.857 . . . . 12.300000000000001 105.985 175.274 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -86.28 129.24 34.92 Favored 'General case' 0 C--N 1.365 1.248 0 C-N-CA 127.349 2.26 . . . . 12.57 107.157 150.398 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 25.9 pttm -49.12 116.22 1.6 Allowed 'General case' 0 C--N 1.354 0.782 0 C-N-CA 130.789 3.636 . . . . 16.329999999999998 118.38 -153.405 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 83.46 54.0 3.25 Favored Glycine 0 C--N 1.36 1.861 0 C-N-CA 129.748 3.547 . . . . 15.41 113.298 -178.305 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -75.97 -45.76 33.19 Favored 'General case' 0 C--N 1.366 1.305 0 C-N-CA 127.098 2.159 . . . . 13.81 115.695 -175.345 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 36.3 mp0 -97.77 47.1 1.01 Allowed 'General case' 0 N--CA 1.446 -0.659 0 C-N-CA 129.012 2.925 . . . . 14.6 110.867 -178.376 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 139.83 99.81 0.44 Allowed Glycine 0 C--N 1.359 1.828 0 N-CA-C 106.568 -2.613 . . . . 15.93 106.568 -178.8 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 70.2 m80 -91.92 -40.7 0.37 Allowed Pre-proline 0 C--N 1.364 1.2 0 C-N-CA 126.373 1.869 . . . . 18.34 112.895 179.392 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo . . . . . 0 C--O 1.263 1.771 0 CA-C-N 124.821 2.758 . . . . 17.68 111.17 172.901 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.492 0 N-CA-C 112.089 0.403 . . . . 17.23 112.089 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.5 m -139.71 -20.48 0.91 Allowed 'General case' 0 C--N 1.362 1.113 0 C-N-CA 125.168 1.387 . . . . 16.870000000000001 107.828 179.486 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -155.11 113.58 3.52 Favored 'General case' 0 C--N 1.359 1.006 0 N-CA-C 104.374 -2.454 . . . . 17.010000000000002 104.374 178.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.31 -136.33 4.11 Favored Glycine 0 C--N 1.355 1.588 0 N-CA-C 105.985 -2.846 . . . . 15.789999999999999 105.985 -177.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . 0.262 16.3 mt -117.62 -54.66 0.04 OUTLIER Pre-proline 0 C--N 1.362 1.129 0 CA-C-O 116.573 -1.68 . . . . 16.199999999999999 109.255 175.18 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -83.5 95.54 0.78 Allowed 'Trans proline' 0 C--N 1.367 1.519 0 C-N-CA 124.15 3.234 . . . . 14.32 109.849 169.339 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -107.09 -134.93 0.35 Allowed 'General case' 0 C--N 1.361 1.081 0 C-N-CA 126.012 1.725 . . . . 15.539999999999999 109.179 -176.595 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.5 tppt? -151.69 -59.64 0.16 Allowed 'General case' 0 C--N 1.356 0.877 0 N-CA-C 105.724 -1.954 . . . . 17.23 105.724 -171.506 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.5 tppt? -153.06 63.23 0.77 Allowed 'General case' 0 C--N 1.359 0.991 0 N-CA-C 105.564 -2.013 . . . . 14.380000000000001 105.564 -172.466 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.01 -41.98 0.1 Allowed 'General case' 0 C--N 1.357 0.927 0 N-CA-C 106.165 -1.791 . . . . 13.85 106.165 -179.081 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -125.09 18.79 8.39 Favored 'General case' 0 C--N 1.363 1.169 0 C-N-CA 125.314 1.446 . . . . 13.210000000000001 107.779 168.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 17.6 ttp180 42.76 85.12 0.02 OUTLIER 'General case' 0 C--N 1.369 1.434 1 C-N-CA 132.17 4.188 . . . . 10.609999999999999 119.148 172.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.407 ' HB2' HD22 ' A' ' 15' ' ' LEU . 13.9 mmm180 -97.13 158.48 15.42 Favored 'General case' 0 C--N 1.36 1.036 0 C-N-CA 124.966 1.306 . . . . 8.1999999999999993 111.305 -176.221 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.329 11.6 t -112.9 20.93 6.39 Favored 'Isoleucine or valine' 0 C--N 1.363 1.181 0 C-N-CA 130.192 3.397 . . . . 4.3600000000000003 109.028 -159.594 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.407 HD22 ' HB2' ' A' ' 13' ' ' ARG . 0.9 OUTLIER -76.63 106.25 8.18 Favored 'General case' 0 N--CA 1.466 0.375 0 C-N-CA 129.205 3.002 . . . . 5.2400000000000002 113.356 -172.505 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -105.02 151.52 23.85 Favored 'General case' 0 C--N 1.365 1.275 0 C-N-CA 126.413 1.885 . . . . 1.53 112.032 -170.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 30.1 m -114.31 -168.38 1.35 Allowed 'General case' 0 C--N 1.364 1.227 0 C-N-CA 126.942 2.097 . . . . 1.3100000000000001 106.72 163.783 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.14 -11.85 60.17 Favored 'General case' 0 C--N 1.367 1.354 0 C-N-CA 127.028 2.131 . . . . 3.73 116.608 -168.076 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -80.22 -36.17 35.13 Favored 'General case' 0 C--N 1.365 1.278 0 C-N-CA 126.536 1.935 . . . . 1.1299999999999999 112.584 172.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 45.6 mm-40 -77.44 -42.96 34.08 Favored 'General case' 0 C--N 1.368 1.38 0 C-N-CA 127.879 2.472 . . . . 0.85999999999999999 111.111 -173.409 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 82.0 p -70.41 -35.17 73.28 Favored 'General case' 0 C--N 1.371 1.513 0 C-N-CA 127.181 2.193 . . . . 1.1200000000000001 112.447 178.535 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -62.79 -50.84 69.43 Favored 'General case' 0 C--N 1.372 1.562 0 C-N-CA 128.906 2.882 . . . . 1.22 112.959 177.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.451 ' HB3' HD21 ' A' ' 42' ' ' LEU . 75.3 mm-40 -74.04 -37.49 64.3 Favored 'General case' 0 C--N 1.359 0.982 0 C-N-CA 125.905 1.682 . . . . 1.0600000000000001 115.377 -175.571 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 80.6 mt -67.85 -44.58 76.84 Favored 'General case' 0 C--N 1.368 1.389 0 C-N-CA 126.104 1.761 . . . . 1.05 114.255 177.183 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -68.29 -30.32 69.3 Favored 'General case' 0 C--N 1.364 1.213 0 C-N-CA 126.36 1.864 . . . . 1.6599999999999999 114.784 173.466 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . 0.312 3.6 ptm180 -72.14 -49.2 37.77 Favored 'General case' 0 C--N 1.373 1.6 0 N-CA-C 116.228 1.936 . . . . 2.54 116.228 -179.664 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.489 0.0 OUTLIER -86.0 13.05 8.16 Favored 'General case' 0 C--N 1.378 1.81 0 N-CA-C 115.282 1.586 . . . . 1.8899999999999999 115.282 169.85 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -84.75 -40.29 17.45 Favored 'General case' 0 C--N 1.381 1.975 0 N-CA-C 115.656 1.725 . . . . 0.82999999999999996 115.656 152.635 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 26.4 mmt-85 -82.46 -32.59 28.84 Favored 'General case' 0 C--N 1.367 1.359 0 CA-C-N 120.288 1.404 . . . . 4.5700000000000003 114.48 -170.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -96.95 -7.69 32.54 Favored 'General case' 0 C--N 1.367 1.35 0 C-N-CA 124.884 1.274 . . . . 2.5299999999999998 112.428 -179.277 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -168.42 152.79 6.05 Favored 'General case' 0 C--N 1.363 1.164 0 N-CA-C 105.541 -2.022 . . . . 2.04 105.541 -176.376 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 89.5 mtt-85 -104.21 -33.09 8.82 Favored 'General case' 0 C--N 1.361 1.072 0 C-N-CA 124.73 1.212 . . . . 4.25 108.87 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 33.6 p90 -105.87 137.89 42.99 Favored 'General case' 0 N--CA 1.441 -0.921 0 C-N-CA 127.701 2.401 . . . . 5.9000000000000004 108.281 176.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.429 HD13 ' N ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -149.81 112.76 4.84 Favored 'General case' 0 CA--C 1.502 -0.903 1 N-CA-C 98.793 -4.521 . . . . 1.23 98.793 -173.562 . . . . . . . . 4 4 . 1 . 012 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 27.3 p -91.57 170.65 9.76 Favored 'General case' 0 C--N 1.372 1.551 0 C-N-CA 126.81 2.044 . . . . 2.04 108.574 -163.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.91 -37.77 44.57 Favored Pre-proline 0 C--N 1.366 1.298 0 N-CA-C 119.466 3.136 . . . . 1.23 119.466 -172.308 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_exo -68.9 -18.93 40.94 Favored 'Trans proline' 0 C--N 1.361 1.226 0 C-N-CA 124.607 3.538 . . . . 1.03 115.844 170.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -110.81 -25.63 9.78 Favored 'General case' 0 C--N 1.362 1.151 0 C-N-CA 126.584 1.954 . . . . 1.7 115.72 177.772 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 38.0 ttm180 -79.85 -41.45 26.29 Favored 'General case' 0 C--N 1.372 1.579 0 C-N-CA 128.546 2.738 . . . . 3.04 110.417 178.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -84.35 -22.66 30.48 Favored 'General case' 0 C--N 1.371 1.535 0 C-N-CA 126.064 1.746 . . . . 1.74 112.412 -177.221 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 47.5 t-80 -85.06 -22.66 28.88 Favored 'General case' 0 C--N 1.365 1.27 0 C-N-CA 127.905 2.482 . . . . 2.0099999999999998 111.194 177.547 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.451 HD21 ' HB3' ' A' ' 23' ' ' GLU . 3.1 tm? -70.55 -37.71 74.07 Favored 'General case' 0 C--N 1.366 1.304 0 C-N-CA 129.277 3.031 . . . . 1.1899999999999999 112.092 168.433 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -77.22 -27.41 53.43 Favored 'General case' 0 C--N 1.362 1.137 0 C-N-CA 128.089 2.556 . . . . 1.0700000000000001 113.746 176.344 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 60.0 m -85.23 -30.93 23.45 Favored 'General case' 0 C--N 1.36 1.057 0 C-N-CA 125.454 1.502 . . . . 1.03 113.893 175.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 39.8 tp -78.77 -33.61 46.25 Favored 'General case' 0 C--N 1.362 1.15 0 C-N-CA 126.926 2.09 . . . . 2.3500000000000001 112.271 179.171 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -100.3 -21.41 5.13 Favored 'Isoleucine or valine' 0 C--N 1.367 1.353 0 C-N-CA 124.335 1.054 . . . . 1.0700000000000001 111.173 -176.666 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 21.1 tpt180 91.5 60.43 0.0 OUTLIER 'General case' 0 C--N 1.373 1.597 0 C-N-CA 129.25 3.02 . . . . 3.6099999999999999 113.961 163.569 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 73.2 mt -131.41 -164.9 1.5 Allowed 'General case' 0 C--N 1.362 1.131 0 C-N-CA 124.103 0.961 . . . . 1.1200000000000001 109.983 178.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 70.2 p -99.16 147.17 32.9 Favored Pre-proline 0 C--N 1.369 1.429 0 C-N-CA 127.449 2.3 . . . . 1.3600000000000001 108.906 174.579 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -60.99 -18.85 60.08 Favored 'Trans proline' 0 C--N 1.365 1.397 1 C-N-CA 126.21 4.607 . . . . 1.0 116.897 170.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.8 t -88.34 -28.83 20.75 Favored 'General case' 0 C--N 1.365 1.24 0 C-N-CA 127.036 2.135 . . . . 1.1299999999999999 111.29 -177.242 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -84.56 -31.51 24.34 Favored 'General case' 0 C--N 1.373 1.592 0 CA-C-N 119.938 1.245 . . . . 1.04 112.363 177.584 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.7 p -67.03 -41.77 87.71 Favored 'Isoleucine or valine' 0 C--N 1.383 2.055 0 C-N-CA 124.348 1.059 . . . . 1.0700000000000001 112.52 168.42 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.14 -49.12 72.6 Favored 'General case' 0 C--N 1.368 1.408 0 C-N-CA 126.876 2.07 . . . . 1.54 115.868 172.678 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.303 6.5 mt -86.88 -7.19 10.89 Favored 'Isoleucine or valine' 0 C--N 1.367 1.361 0 N-CA-C 115.496 1.665 . . . . 1.3200000000000001 115.496 -178.278 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 50.7 t90 -73.94 -41.86 61.42 Favored 'General case' 0 C--N 1.377 1.795 0 CA-C-N 119.872 1.215 . . . . 0.28000000000000003 110.884 164.278 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -82.11 -18.64 42.26 Favored 'General case' 0 C--N 1.368 1.389 0 C-N-CA 126.301 1.84 . . . . 0.46000000000000002 113.379 179.586 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -75.69 -36.67 59.97 Favored 'General case' 0 C--N 1.368 1.39 0 C-N-CA 127.5 2.32 . . . . 1.3400000000000001 112.55 177.186 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -88.01 -17.68 30.65 Favored 'General case' 0 C--N 1.363 1.187 0 C-N-CA 126.326 1.85 . . . . 0.56000000000000005 113.077 179.608 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -85.28 -27.04 26.25 Favored 'General case' 0 C--N 1.365 1.269 0 C-N-CA 125.981 1.712 . . . . 2.3900000000000001 114.439 -175.1 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.29 42.17 0.93 Allowed 'General case' 0 C--N 1.367 1.348 0 C-N-CA 126.624 1.969 . . . . 3.79 114.258 -174.695 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.406 ' HB2' ' H ' ' A' ' 63' ' ' LYS 2.482 0.0 OUTLIER 134.68 115.61 0.0 OUTLIER 'General case' 0 C--N 1.368 1.396 0 N-CA-C 101.174 -3.639 . . . . 6.3799999999999999 101.174 -176.991 . . . . . . . . 4 4 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.406 ' H ' ' HB2' ' A' ' 62' ' ' TYR 2.43 5.0 mptt 143.97 -40.53 0.01 OUTLIER 'General case' 0 N--CA 1.432 -1.348 0 C-N-CA 131.592 3.957 . . . . 5.9000000000000004 103.844 -169.518 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . 0.359 7.1 p -84.52 -102.26 0.05 Allowed 'General case' 0 C--N 1.374 1.644 0 C-N-CA 127.379 2.271 . . . . 3.6800000000000002 112.862 -172.131 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -90.69 -122.34 0.07 Allowed 'General case' 0 C--N 1.371 1.52 0 C-N-CA 127.034 2.134 . . . . 8.1699999999999999 109.576 168.475 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 -154.97 148.44 25.19 Favored 'General case' 0 C--N 1.354 0.782 0 N-CA-C 108.036 -1.098 . . . . 11.25 108.036 179.344 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -100.9 101.98 12.91 Favored 'General case' 0 C--N 1.362 1.134 0 C-N-CA 126.893 2.077 . . . . 9.0999999999999996 107.098 158.31 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -102.11 96.04 6.74 Favored 'General case' 0 C--N 1.362 1.131 0 CA-C-O 123.009 1.385 . . . . 9.5800000000000001 109.893 -176.441 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -120.07 63.48 0.83 Allowed 'General case' 0 N--CA 1.438 -1.026 0 C-N-CA 130.029 3.331 . . . . 12.300000000000001 105.21 176.17 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . 2.198 8.1 pt-20 -48.93 -103.39 0.0 OUTLIER 'General case' 0 C--N 1.353 0.75 1 C-N-CA 133.097 4.559 . . . . 12.57 116.825 173.687 . . . . . . . . 3 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.45 113.53 21.26 Favored 'General case' 0 C--N 1.363 1.186 0 C-N-CA 125.591 1.556 . . . . 16.329999999999998 110.261 169.484 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 156.89 -69.32 0.28 Allowed Glycine 0 CA--C 1.487 -1.714 0 N-CA-C 103.592 -3.803 . . . . 15.41 103.592 -166.41 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -86.41 -62.17 1.57 Allowed 'General case' 0 C--N 1.354 0.781 0 C-N-CA 128.908 2.883 . . . . 13.81 114.957 -177.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -94.16 65.32 3.37 Favored 'General case' 0 C--N 1.35 0.596 0 C-N-CA 129.473 3.109 . . . . 14.6 109.909 178.465 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 134.38 -163.56 24.63 Favored Glycine 0 C--N 1.354 1.544 0 N-CA-C 107.37 -2.292 . . . . 15.93 107.37 -178.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 75.1 m80 -110.53 137.71 20.78 Favored Pre-proline 0 C--N 1.361 1.086 0 C-N-CA 125.848 1.659 . . . . 18.34 107.059 179.154 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo . . . . . 0 C--O 1.261 1.637 0 C-N-CA 124.154 3.236 . . . . 17.68 110.296 -173.965 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.335 0 N-CA-C 109.559 -0.534 . . . . 17.23 109.559 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.6 p -108.4 18.42 21.01 Favored 'General case' 0 C--N 1.364 1.225 0 C-N-CA 126.218 1.807 . . . . 16.870000000000001 109.829 177.167 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -140.59 -42.73 0.4 Allowed 'General case' 0 C--N 1.364 1.197 0 C-N-CA 124.86 1.264 . . . . 17.010000000000002 108.788 -177.492 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.03 93.81 0.42 Allowed Glycine 0 C--N 1.365 2.184 0 CA-C-N 118.404 0.547 . . . . 15.789999999999999 112.308 -176.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.6 pp -176.03 157.64 1.73 Allowed Pre-proline 0 C--N 1.367 1.333 0 N-CA-C 104.38 -2.452 . . . . 16.199999999999999 104.38 161.079 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -85.29 116.79 1.77 Allowed 'Trans proline' 0 C--N 1.362 1.252 0 CA-C-N 124.68 2.707 . . . . 14.32 110.72 177.218 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -152.0 -120.27 0.04 OUTLIER 'General case' 0 C--N 1.358 0.971 0 N-CA-C 103.846 -2.65 . . . . 15.539999999999999 103.846 175.678 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -146.02 138.18 25.26 Favored 'General case' 0 C--N 1.36 1.03 0 N-CA-C 104.504 -2.406 . . . . 17.23 104.504 176.706 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -106.43 82.67 1.76 Allowed 'General case' 0 C--N 1.364 1.211 0 C-N-CA 125.981 1.712 . . . . 14.380000000000001 108.796 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 71.9 mtm180 -131.04 -47.51 1.01 Allowed 'General case' 0 C--N 1.357 0.899 0 N-CA-C 104.312 -2.477 . . . . 13.85 104.312 175.037 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . 2.283 0.0 OUTLIER -83.39 -47.29 11.6 Favored 'General case' 0 C--N 1.368 1.406 0 C-N-CA 130.107 3.363 . . . . 13.210000000000001 110.364 173.559 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 34.8 mtp-105 -81.58 78.85 8.28 Favored 'General case' 0 C--N 1.368 1.401 0 C-N-CA 129.88 3.272 . . . . 10.609999999999999 112.699 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.7 mmm180 -105.18 167.4 9.75 Favored 'General case' 0 N--CA 1.435 -1.203 0 C-N-CA 126.522 1.929 . . . . 8.1999999999999993 107.546 176.822 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.4 m -133.4 153.09 36.52 Favored 'Isoleucine or valine' 0 CA--C 1.492 -1.287 0 C-N-CA 128.155 2.582 . . . . 4.3600000000000003 104.331 -169.515 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.2 mt -113.24 84.28 1.98 Allowed 'General case' 0 C--N 1.362 1.112 0 CA-C-O 122.751 1.262 . . . . 5.2400000000000002 108.723 -172.371 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.507 ' HB3' ' HB2' ' A' ' 20' ' ' GLN . 18.2 m-30 -105.55 154.98 19.64 Favored 'General case' 0 N--CA 1.437 -1.088 0 C-N-CA 130.578 3.551 . . . . 1.53 109.159 -176.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.0 m -94.56 -177.95 4.4 Favored 'General case' 0 C--N 1.373 1.595 0 C-N-CA 126.479 1.912 . . . . 1.3100000000000001 110.764 -179.104 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.8 3.27 14.67 Favored 'General case' 0 C--N 1.37 1.458 0 C-N-CA 127.369 2.268 . . . . 3.73 116.604 -167.683 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.2 -49.08 8.51 Favored 'General case' 0 C--N 1.362 1.11 0 C-N-CA 126.362 1.865 . . . . 1.1299999999999999 111.723 162.43 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.507 ' HB2' ' HB3' ' A' ' 16' ' ' PHE . 52.1 mm-40 -75.96 -44.18 41.14 Favored 'General case' 0 C--N 1.367 1.348 0 C-N-CA 128.281 2.632 . . . . 0.85999999999999999 112.653 -170.146 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 60.0 p -75.18 -29.01 60.27 Favored 'General case' 0 C--N 1.37 1.489 0 C-N-CA 127.416 2.286 . . . . 1.1200000000000001 112.021 -178.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -66.14 -49.87 65.95 Favored 'General case' 0 C--N 1.368 1.403 0 C-N-CA 128.338 2.655 . . . . 1.22 112.374 176.472 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 -72.92 -36.84 67.34 Favored 'General case' 0 C--N 1.362 1.15 0 N-CA-C 115.37 1.618 . . . . 1.0600000000000001 115.37 -177.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 96.3 mt -70.47 -41.8 72.27 Favored 'General case' 0 C--N 1.362 1.131 0 C-N-CA 125.545 1.538 . . . . 1.05 114.916 178.397 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -71.57 -32.59 68.26 Favored 'General case' 0 C--N 1.363 1.178 0 C-N-CA 125.998 1.719 . . . . 1.6599999999999999 115.054 174.748 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.9 ptm180 -75.78 -41.16 53.73 Favored 'General case' 0 C--N 1.373 1.609 0 N-CA-C 114.706 1.373 . . . . 2.54 114.706 -177.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.515 1.7 ptm180 -86.31 5.41 34.71 Favored 'General case' 0 C--N 1.368 1.371 0 N-CA-C 115.426 1.639 . . . . 1.8899999999999999 115.426 170.765 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -82.5 -38.68 23.52 Favored 'General case' 0 C--N 1.376 1.741 0 C-N-CA 126.258 1.823 . . . . 0.82999999999999996 114.568 155.409 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 35.0 mmt-85 -78.33 -38.24 42.63 Favored 'General case' 0 C--N 1.369 1.425 0 C-N-CA 125.785 1.634 . . . . 4.5700000000000003 113.288 -174.749 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 66.9 tp60 -90.09 -25.0 20.98 Favored 'General case' 0 N--CA 1.434 -1.245 0 C-N-CA 127.758 2.423 . . . . 2.5299999999999998 112.439 -174.093 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -157.39 152.08 25.4 Favored 'General case' 0 C--N 1.365 1.259 0 N-CA-C 108.235 -1.024 . . . . 2.04 108.235 -173.058 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 78.5 mtt-85 -105.82 -37.24 6.76 Favored 'General case' 0 C--N 1.36 1.054 0 C-N-CA 126.509 1.924 . . . . 4.25 112.704 -179.355 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -86.41 -20.2 28.55 Favored 'General case' 0 C--N 1.36 1.04 0 C-N-CA 128.374 2.67 . . . . 5.9000000000000004 115.627 -144.01 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . 0.384 0.0 OUTLIER -33.92 104.21 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.823 1 C-N-CA 132.743 4.417 . . . . 1.23 115.667 -167.961 . . . . . . . . 4 3 . 1 . 013 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 27.5 p -94.01 169.49 10.23 Favored 'General case' 0 C--N 1.366 1.284 0 C-N-CA 128.923 2.889 . . . . 2.04 109.225 -167.488 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -46.78 -36.2 6.57 Favored Pre-proline 0 C--N 1.367 1.352 0 N-CA-C 120.745 3.609 . . . . 1.23 120.745 -173.579 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -67.1 -30.57 38.28 Favored 'Trans proline' 0 C--N 1.359 1.098 0 C-N-CA 124.283 3.322 . . . . 1.03 115.138 173.208 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -104.54 -22.07 13.33 Favored 'General case' 0 C--N 1.363 1.177 0 C-N-CA 126.421 1.888 . . . . 1.7 114.925 178.557 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 58.1 ttp85 -80.79 -37.08 30.87 Favored 'General case' 0 C--N 1.375 1.703 0 C-N-CA 126.791 2.036 . . . . 3.04 110.926 179.783 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -82.52 -21.56 35.37 Favored 'General case' 0 C--N 1.373 1.623 0 C-N-CA 126.165 1.786 . . . . 1.74 112.787 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 45.0 t-80 -81.58 -25.35 35.84 Favored 'General case' 0 C--N 1.364 1.236 0 C-N-CA 128.183 2.593 . . . . 2.0099999999999998 111.108 176.648 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -71.75 -36.83 70.55 Favored 'General case' 0 C--N 1.367 1.369 0 C-N-CA 128.827 2.851 . . . . 1.1899999999999999 112.636 169.294 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -77.35 -26.53 52.08 Favored 'General case' 0 C--N 1.362 1.142 0 C-N-CA 127.566 2.346 . . . . 1.0700000000000001 113.628 178.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 64.2 m -85.15 -28.69 25.35 Favored 'General case' 0 C--N 1.361 1.077 0 C-N-CA 126.155 1.782 . . . . 1.03 113.227 173.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 45.4 tp -77.4 -35.93 53.84 Favored 'General case' 0 C--N 1.363 1.195 0 C-N-CA 127.261 2.224 . . . . 2.3500000000000001 112.496 177.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.4 pt -101.45 -21.64 5.05 Favored 'Isoleucine or valine' 0 C--N 1.367 1.343 0 C-N-CA 124.327 1.051 . . . . 1.0700000000000001 111.476 -175.483 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 23.8 tpt180 83.2 66.15 0.02 OUTLIER 'General case' 0 C--N 1.372 1.553 0 C-N-CA 128.875 2.87 . . . . 3.6099999999999999 113.954 172.712 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 76.1 mt -136.0 -173.06 3.28 Favored 'General case' 0 C--N 1.36 1.041 0 N-CA-C 108.161 -1.052 . . . . 1.1200000000000001 108.161 172.577 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 61.9 p -90.21 146.25 34.42 Favored Pre-proline 0 C--N 1.372 1.549 0 C-N-CA 126.584 1.953 . . . . 1.3600000000000001 109.428 178.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -58.31 -22.39 57.51 Favored 'Trans proline' 0 C--N 1.363 1.311 1 C-N-CA 126.384 4.722 . . . . 1.0 117.341 171.097 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.8 t -89.32 -28.27 19.96 Favored 'General case' 0 C--N 1.366 1.287 0 C-N-CA 125.553 1.541 . . . . 1.1299999999999999 111.354 -176.044 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -82.37 -31.7 29.61 Favored 'General case' 0 C--N 1.372 1.583 0 CA-C-N 119.662 1.119 . . . . 1.04 112.231 177.724 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.1 p -70.69 -42.88 77.81 Favored 'Isoleucine or valine' 0 C--N 1.378 1.839 0 C-N-CA 124.775 1.23 . . . . 1.0700000000000001 113.167 171.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -55.92 -49.73 72.66 Favored 'General case' 0 C--N 1.377 1.793 0 C-N-CA 127.613 2.365 . . . . 1.54 114.53 174.06 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.273 7.4 mt -88.52 -6.4 10.74 Favored 'Isoleucine or valine' 0 C--N 1.363 1.168 0 N-CA-C 114.378 1.251 . . . . 1.3200000000000001 114.378 -176.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 33.2 t90 -75.37 -42.14 54.72 Favored 'General case' 0 C--N 1.381 1.955 0 C-N-CA 125.685 1.594 . . . . 0.28000000000000003 110.821 167.22 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -82.35 -14.09 55.86 Favored 'General case' 0 C--N 1.368 1.409 0 C-N-CA 126.812 2.045 . . . . 0.46000000000000002 113.398 -179.024 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -76.98 -43.14 36.11 Favored 'General case' 0 C--N 1.36 1.061 0 C-N-CA 127.635 2.374 . . . . 1.3400000000000001 111.85 171.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -94.58 -15.82 23.75 Favored 'General case' 0 C--N 1.362 1.136 0 C-N-CA 126.629 1.972 . . . . 0.56000000000000005 114.151 -168.166 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 9.0 m80 -78.74 -30.37 45.79 Favored 'General case' 0 C--N 1.362 1.149 0 C-N-CA 126.07 1.748 . . . . 2.3900000000000001 113.629 172.805 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 16.4 ptm180 -86.74 46.22 1.34 Allowed 'General case' 0 C--N 1.362 1.126 0 C-N-CA 127.599 2.36 . . . . 3.79 114.741 170.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.518 ' HB3' ' H ' ' A' ' 63' ' ' LYS . 0.1 OUTLIER -113.04 -109.58 0.35 Allowed 'General case' 0 C--N 1.377 1.804 0 CA-C-N 121.061 1.755 . . . . 6.3799999999999999 110.902 -170.906 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.518 ' H ' ' HB3' ' A' ' 62' ' ' TYR . 3.8 mppt? -142.97 70.08 1.32 Allowed 'General case' 0 N--CA 1.437 -1.077 1 C-N-CA 131.865 4.066 . . . . 5.9000000000000004 100.655 -178.931 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -106.25 104.76 14.53 Favored 'General case' 0 N--CA 1.426 -1.648 0 C-N-CA 131.348 3.859 . . . . 3.6800000000000002 102.549 -171.385 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 26.0 pttm -71.41 42.47 0.08 Allowed 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 131.483 3.913 . . . . 8.1699999999999999 115.948 176.203 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 56.9 ttp180 -110.17 150.76 28.18 Favored 'General case' 0 C--N 1.359 1.012 0 C-N-CA 127.15 2.18 . . . . 11.25 106.765 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -87.72 86.95 7.24 Favored 'General case' 0 C--N 1.367 1.369 0 C-N-CA 125.912 1.685 . . . . 9.0999999999999996 111.424 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -105.73 102.94 12.35 Favored 'General case' 0 N--CA 1.444 -0.74 0 C-N-CA 127.419 2.288 . . . . 9.5800000000000001 107.257 171.254 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -142.68 73.14 1.39 Allowed 'General case' 0 CA--C 1.488 -1.423 0 N-CA-C 104.772 -2.307 . . . . 12.300000000000001 104.772 178.585 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -78.71 136.06 37.32 Favored 'General case' 0 C--N 1.365 1.269 0 CA-C-N 110.975 -2.83 . . . . 12.57 106.929 144.066 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -72.0 128.39 35.56 Favored 'General case' 0 C--N 1.344 0.361 0 C-N-CA 128.053 2.541 . . . . 16.329999999999998 115.614 -154.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 80.1 58.31 2.82 Favored Glycine 0 C--N 1.357 1.705 1 C-N-CA 131.58 4.419 . . . . 15.41 113.65 -179.382 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -151.33 124.28 8.65 Favored 'General case' 0 N--CA 1.419 -2.007 0 N-CA-C 100.783 -3.784 . . . . 13.81 100.783 176.806 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -100.64 66.0 1.19 Allowed 'General case' 0 N--CA 1.445 -0.699 0 C-N-CA 130.891 3.677 . . . . 14.6 108.954 -178.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 157.93 -151.24 22.39 Favored Glycine 0 C--N 1.352 1.459 0 N-CA-C 105.914 -2.874 . . . . 15.93 105.914 -176.75 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 13.3 p80 -114.89 105.11 53.6 Favored Pre-proline 0 C--N 1.361 1.074 0 C-N-CA 125.491 1.516 . . . . 18.34 108.444 179.461 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo . . . . . 0 C--O 1.263 1.742 0 C-N-CA 123.543 2.829 . . . . 17.68 109.423 -177.351 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.6 0.238 . . . . 17.23 110.46 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.6 p -121.01 19.86 11.59 Favored 'General case' 0 C--N 1.362 1.131 0 C-N-CA 126.187 1.795 . . . . 16.870000000000001 107.984 -179.581 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -152.01 139.4 19.48 Favored 'General case' 0 C--N 1.36 1.057 0 N-CA-C 104.481 -2.415 . . . . 17.010000000000002 104.481 178.546 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 119.42 -123.65 5.72 Favored Glycine 0 C--N 1.36 1.891 0 N-CA-C 106.228 -2.749 . . . . 15.789999999999999 106.228 -173.312 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 20.6 mt -127.23 71.56 76.41 Favored Pre-proline 0 C--N 1.365 1.248 0 C-N-CA 125.064 1.346 . . . . 16.199999999999999 110.611 169.542 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -86.34 155.97 9.44 Favored 'Trans proline' 0 C--N 1.36 1.182 0 C-N-CA 124.342 3.361 . . . . 14.32 110.216 163.684 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 52.4 t30 -129.78 -103.11 0.3 Allowed 'General case' 0 C--N 1.361 1.077 0 N-CA-C 105.937 -1.875 . . . . 15.539999999999999 105.937 177.036 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.4 mtmp? -120.63 123.84 43.79 Favored 'General case' 0 C--N 1.361 1.108 0 N-CA-C 105.666 -1.975 . . . . 17.23 105.666 -179.655 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -101.39 154.2 19.01 Favored 'General case' 0 C--N 1.361 1.1 0 C-N-CA 125.625 1.57 . . . . 14.380000000000001 110.783 -172.214 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.2 -11.82 15.93 Favored 'General case' 0 C--N 1.362 1.121 0 C-N-CA 127.226 2.211 . . . . 13.85 108.874 -175.887 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 54.8 pttt -104.34 -174.23 2.49 Favored 'General case' 0 C--N 1.363 1.153 0 C-N-CA 127.357 2.263 . . . . 13.210000000000001 109.318 -176.289 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.43 17.41 1.38 Allowed 'General case' 0 C--N 1.368 1.395 0 C-N-CA 129.995 3.318 . . . . 10.609999999999999 114.579 -173.111 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . 1.876 0.5 OUTLIER -43.16 -111.43 0.0 OUTLIER 'General case' 0 C--N 1.366 1.292 2 C-N-CA 132.412 4.285 . . . . 8.1999999999999993 121.918 -172.863 . . . . . . . . 4 3 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.4 m -88.12 136.06 24.1 Favored 'Isoleucine or valine' 0 C--N 1.35 0.598 0 C-N-CA 129.113 2.965 . . . . 4.3600000000000003 111.146 -172.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -153.29 122.54 6.61 Favored 'General case' 0 N--CA 1.443 -0.8 0 N-CA-C 103.194 -2.891 . . . . 5.2400000000000002 103.194 176.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.507 ' HB3' ' HB2' ' A' ' 20' ' ' GLN . 49.0 m-85 -88.57 149.28 23.67 Favored 'General case' 0 C--N 1.36 1.05 0 C-N-CA 127.525 2.33 . . . . 1.53 113.753 -165.286 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 29.3 m -110.77 -174.34 2.45 Favored 'General case' 0 C--N 1.369 1.451 0 C-N-CA 127.0 2.12 . . . . 1.3100000000000001 108.458 -178.077 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 68.1 mttt -83.38 15.98 2.75 Favored 'General case' 0 C--N 1.372 1.549 0 C-N-CA 126.543 1.937 . . . . 3.73 115.809 -163.647 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.47 -51.11 6.75 Favored 'General case' 0 C--N 1.361 1.09 0 C-N-CA 125.982 1.713 . . . . 1.1299999999999999 111.94 153.609 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.507 ' HB2' ' HB3' ' A' ' 16' ' ' PHE . 39.2 mm-40 -79.41 -49.67 11.99 Favored 'General case' 0 C--N 1.368 1.405 0 C-N-CA 128.734 2.814 . . . . 0.85999999999999999 111.926 -167.72 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 79.7 p -64.14 -36.68 84.82 Favored 'General case' 0 C--N 1.375 1.71 0 C-N-CA 128.301 2.64 . . . . 1.1200000000000001 112.295 177.297 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 53.1 t80 -59.84 -59.08 6.01 Favored 'General case' 0 C--N 1.369 1.452 0 C-N-CA 129.02 2.928 . . . . 1.22 112.804 177.517 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -68.11 -34.27 76.08 Favored 'General case' 0 C--N 1.368 1.383 0 N-CA-C 115.404 1.631 . . . . 1.0600000000000001 115.404 -175.714 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 97.7 mt -67.85 -37.74 82.25 Favored 'General case' 0 C--N 1.363 1.186 0 C-N-CA 127.026 2.131 . . . . 1.05 115.868 175.302 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -76.53 -27.42 55.95 Favored 'General case' 0 C--N 1.359 1.007 0 C-N-CA 126.57 1.948 . . . . 1.6599999999999999 114.404 177.08 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.7 mtm180 -71.56 -43.58 66.07 Favored 'General case' 0 C--N 1.372 1.576 0 C-N-CA 123.985 0.914 . . . . 2.54 112.247 175.423 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.314 26.8 mmm-85 -71.53 -22.94 61.71 Favored 'General case' 0 C--N 1.383 2.042 0 N-CA-C 112.568 0.581 . . . . 1.8899999999999999 112.568 176.619 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 31.0 t80 -70.23 -28.93 65.65 Favored 'General case' 0 C--N 1.376 1.747 0 C-N-CA 128.09 2.556 . . . . 0.82999999999999996 113.991 171.521 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 35.5 mmt-85 -79.89 -21.19 44.29 Favored 'General case' 0 C--N 1.367 1.367 0 C-N-CA 124.956 1.302 . . . . 4.5700000000000003 113.409 178.489 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 64.4 tp60 -93.12 -30.66 15.14 Favored 'General case' 0 N--CA 1.429 -1.5 0 C-N-CA 127.57 2.348 . . . . 2.5299999999999998 112.04 176.317 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -172.58 -179.06 2.08 Favored 'General case' 0 C--N 1.372 1.573 0 CA-C-O 123.085 1.421 . . . . 2.04 109.755 -175.135 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -106.37 -53.56 2.61 Favored 'General case' 0 N--CA 1.438 -1.045 0 C-N-CA 128.838 2.855 . . . . 4.25 109.73 -171.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -121.68 141.02 51.56 Favored 'General case' 0 CA--C 1.498 -1.034 0 C-N-CA 127.353 2.261 . . . . 5.9000000000000004 106.862 -175.653 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -140.58 124.14 16.99 Favored 'General case' 0 N--CA 1.437 -1.083 0 N-CA-C 102.846 -3.02 . . . . 1.23 102.846 -168.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 9.2 m -82.47 160.27 22.72 Favored 'General case' 0 C--N 1.366 1.301 0 C-N-CA 127.248 2.219 . . . . 2.04 111.566 -173.364 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.65 -36.39 12.33 Favored Pre-proline 0 C--N 1.367 1.357 0 N-CA-C 120.965 3.691 . . . . 1.23 120.965 -168.699 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_exo -67.76 -28.19 37.06 Favored 'Trans proline' 0 C--N 1.36 1.14 0 C-N-CA 124.147 3.232 . . . . 1.03 114.986 175.814 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.28 0.9 OUTLIER -105.19 -21.55 13.24 Favored 'General case' 0 C--N 1.361 1.077 0 C-N-CA 126.797 2.039 . . . . 1.7 115.042 177.314 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 42.3 ttp180 -77.01 -41.62 41.99 Favored 'General case' 0 C--N 1.375 1.706 0 C-N-CA 126.849 2.06 . . . . 3.04 112.753 177.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -81.85 -20.79 38.24 Favored 'General case' 0 C--N 1.363 1.176 0 C-N-CA 126.982 2.113 . . . . 1.74 112.274 -177.709 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 45.2 t-80 -81.74 -27.84 33.65 Favored 'General case' 0 C--N 1.365 1.277 0 C-N-CA 128.498 2.719 . . . . 2.0099999999999998 111.705 176.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -64.01 -53.47 49.55 Favored 'General case' 0 C--N 1.371 1.526 0 C-N-CA 129.016 2.926 . . . . 1.1899999999999999 111.49 170.674 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.31 -28.61 69.83 Favored 'General case' 0 C--N 1.356 0.878 0 C-N-CA 130.232 3.413 . . . . 1.0700000000000001 116.487 176.46 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 74.6 m -83.87 -26.99 28.98 Favored 'General case' 0 C--N 1.361 1.073 0 C-N-CA 125.737 1.615 . . . . 1.03 112.964 174.787 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 33.0 tp -78.41 -35.54 46.94 Favored 'General case' 0 C--N 1.361 1.085 0 C-N-CA 126.948 2.099 . . . . 2.3500000000000001 112.966 175.194 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.2 pt -106.26 -1.71 9.94 Favored 'Isoleucine or valine' 0 C--N 1.368 1.387 0 C-N-CA 125.087 1.355 . . . . 1.0700000000000001 112.258 -174.263 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 81.07 42.13 0.05 OUTLIER 'General case' 0 C--N 1.371 1.533 0 C-N-CA 128.991 2.917 . . . . 3.6099999999999999 115.675 162.089 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 96.8 mt -124.36 -172.4 2.54 Favored 'General case' 0 C--N 1.357 0.909 0 O-C-N 121.31 -0.869 . . . . 1.1200000000000001 109.953 -175.644 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.405 HG22 ' H ' ' A' ' 51' ' ' THR . 68.9 p -95.75 147.47 33.05 Favored Pre-proline 0 C--N 1.365 1.262 0 C-N-CA 127.624 2.37 . . . . 1.3600000000000001 108.633 179.447 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_exo -58.64 -23.53 66.02 Favored 'Trans proline' 0 C--N 1.363 1.295 1 C-N-CA 126.462 4.775 . . . . 1.0 117.104 170.869 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.405 ' H ' HG22 ' A' ' 49' ' ' THR . 12.2 t -89.43 -30.17 18.52 Favored 'General case' 0 C--N 1.365 1.266 0 C-N-CA 125.898 1.679 . . . . 1.1299999999999999 111.343 -175.355 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -79.35 -34.4 42.16 Favored 'General case' 0 C--N 1.375 1.682 0 CA-C-N 119.727 1.149 . . . . 1.04 111.968 178.048 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 11.5 p -67.37 -46.21 84.14 Favored 'Isoleucine or valine' 0 C--N 1.381 1.952 0 C-N-CA 125.293 1.437 . . . . 1.0700000000000001 113.157 172.426 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.08 -43.76 95.26 Favored 'General case' 0 C--N 1.375 1.679 0 C-N-CA 126.02 1.728 . . . . 1.54 115.084 177.815 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.273 9.0 mt -85.05 -6.21 10.23 Favored 'Isoleucine or valine' 0 C--N 1.368 1.393 0 N-CA-C 114.941 1.46 . . . . 1.3200000000000001 114.941 177.081 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 47.1 t90 -71.74 -41.98 67.82 Favored 'General case' 0 C--N 1.381 1.949 0 C-N-CA 125.283 1.433 . . . . 0.28000000000000003 110.777 164.44 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -81.49 -17.12 49.74 Favored 'General case' 0 C--N 1.369 1.453 0 C-N-CA 126.273 1.829 . . . . 0.46000000000000002 114.272 -179.675 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -77.33 -37.03 53.32 Favored 'General case' 0 C--N 1.362 1.14 0 C-N-CA 127.278 2.231 . . . . 1.3400000000000001 111.648 174.728 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 64.0 m-20 -90.7 -21.58 21.55 Favored 'General case' 0 C--N 1.364 1.213 0 C-N-CA 126.438 1.895 . . . . 0.56000000000000005 113.458 -176.212 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -84.26 -18.6 35.91 Favored 'General case' 0 C--N 1.367 1.334 0 C-N-CA 125.767 1.627 . . . . 2.3900000000000001 114.926 -175.7 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.34 72.57 8.05 Favored 'General case' 0 C--N 1.363 1.19 0 C-N-CA 126.703 2.001 . . . . 3.79 106.414 151.336 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -161.71 54.19 0.25 Allowed 'General case' 0 N--CA 1.443 -0.796 0 C-N-CA 128.187 2.595 . . . . 6.3799999999999999 114.361 41.017 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.8 mtpt -104.15 64.1 0.77 Allowed 'General case' 0 C--N 1.352 0.71 0 N-CA-C 103.296 -2.854 . . . . 5.9000000000000004 103.296 157.474 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 6.9 m -56.7 -11.02 1.17 Allowed 'General case' 0 C--N 1.367 1.34 1 C-N-CA 136.27 5.828 . . . . 3.6800000000000002 118.774 -158.786 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt -86.77 -107.19 0.06 Allowed 'General case' 0 C--N 1.365 1.259 0 C-N-CA 128.406 2.683 . . . . 8.1699999999999999 111.719 -169.445 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 30.5 ptt180 -154.61 -35.66 0.1 Allowed 'General case' 0 C--N 1.356 0.884 0 N-CA-C 106.647 -1.612 . . . . 11.25 106.647 -178.637 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -100.3 124.78 46.18 Favored 'General case' 0 C--N 1.36 1.056 0 C-N-CA 128.4 2.68 . . . . 9.0999999999999996 107.3 179.03 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -105.19 89.69 3.21 Favored 'General case' 0 C--N 1.359 0.988 0 CA-C-O 123.334 1.54 . . . . 9.5800000000000001 109.636 -173.293 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . 0.287 7.6 p30 -111.91 52.61 0.75 Allowed 'General case' 0 CA--C 1.497 -1.081 0 C-N-CA 130.344 3.458 . . . . 12.300000000000001 111.711 -176.107 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -51.18 130.28 26.03 Favored 'General case' 0 C--N 1.368 1.374 0 C-N-CA 128.289 2.636 . . . . 12.57 115.591 134.188 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -88.66 145.39 25.69 Favored 'General case' 0 C--N 1.355 0.833 1 C-N-CA 133.089 4.555 . . . . 16.329999999999998 110.278 -10.841 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 88.15 56.46 2.05 Favored Glycine 0 C--N 1.365 2.153 0 C-N-CA 127.216 2.341 . . . . 15.41 113.171 178.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . 0.338 48.4 p90 -75.48 -55.01 6.1 Favored 'General case' 0 C--N 1.369 1.422 0 N-CA-C 116.086 1.884 . . . . 13.81 116.086 -173.46 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -91.05 57.47 3.47 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 129.302 3.041 . . . . 14.6 111.196 168.311 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -173.96 -131.84 1.46 Allowed Glycine 0 C--N 1.356 1.658 0 N-CA-C 105.344 -3.102 . . . . 15.93 105.344 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 63.3 t-80 -118.09 113.32 37.52 Favored Pre-proline 0 C--N 1.362 1.143 0 N-CA-C 106.682 -1.599 . . . . 18.34 106.682 178.041 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo . . . . . 0 C--O 1.262 1.712 0 C-N-CA 123.498 2.799 . . . . 17.68 109.041 177.522 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.458 0 CA-C-O 120.271 0.082 . . . . 17.23 110.99 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.9 m -115.55 -30.05 6.3 Favored 'General case' 0 C--N 1.363 1.179 0 C-N-CA 125.514 1.526 . . . . 16.870000000000001 108.72 177.488 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -151.12 67.04 0.91 Allowed 'General case' 0 C--N 1.358 0.953 0 N-CA-C 107.267 -1.383 . . . . 17.010000000000002 107.267 178.291 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.91 -151.57 6.36 Favored Glycine 0 C--N 1.358 1.783 0 N-CA-C 108.604 -1.798 . . . . 15.789999999999999 108.604 177.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 25.3 mt -126.81 87.18 57.13 Favored Pre-proline 0 C--N 1.359 1.017 0 C-N-CA 126.118 1.767 . . . . 16.199999999999999 106.496 -179.515 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -93.58 60.02 0.4 Allowed 'Trans proline' 0 C--N 1.365 1.442 0 CA-C-N 125.28 2.921 . . . . 14.32 111.229 -167.516 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -143.84 -83.75 0.16 Allowed 'General case' 0 C--N 1.36 1.026 0 N-CA-C 102.651 -3.092 . . . . 15.539999999999999 102.651 172.798 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? -126.32 156.92 39.66 Favored 'General case' 0 C--N 1.362 1.147 0 N-CA-C 105.254 -2.128 . . . . 17.23 105.254 175.581 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -106.89 89.51 3.03 Favored 'General case' 0 C--N 1.363 1.174 0 C-N-CA 125.778 1.631 . . . . 14.380000000000001 108.97 -177.049 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 40.5 mmt180 73.2 42.32 0.44 Allowed 'General case' 0 C--N 1.367 1.344 0 C-N-CA 128.57 2.748 . . . . 13.85 114.18 173.439 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 58.8 mtmt -127.5 -58.95 1.24 Allowed 'General case' 0 C--N 1.361 1.068 0 N-CA-C 106.836 -1.542 . . . . 13.210000000000001 106.836 -179.333 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.1 153.47 43.59 Favored 'General case' 0 C--N 1.368 1.394 0 C-N-CA 128.831 2.852 . . . . 10.609999999999999 115.516 -179.721 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.4 mmm180 -82.84 141.85 31.96 Favored 'General case' 0 C--N 1.367 1.34 0 C-N-CA 127.39 2.276 . . . . 8.1999999999999993 112.417 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.3 m -131.96 132.7 61.39 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.32 0 C-N-CA 127.922 2.489 . . . . 4.3600000000000003 105.053 -165.773 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.0 mp -139.63 113.27 8.53 Favored 'General case' 0 N--CA 1.439 -1.022 0 N-CA-C 105.28 -2.118 . . . . 5.2400000000000002 105.28 -176.774 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 12.8 m-30 -82.23 135.45 35.25 Favored 'General case' 0 C--N 1.365 1.247 0 C-N-CA 128.858 2.863 . . . . 1.53 110.332 179.422 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 17.1 m -99.87 -169.14 1.7 Allowed 'General case' 0 C--N 1.365 1.249 0 C-N-CA 126.1 1.76 . . . . 1.3100000000000001 109.168 -177.541 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 50.8 pttt -78.48 -0.62 30.14 Favored 'General case' 0 C--N 1.367 1.364 0 C-N-CA 126.928 2.091 . . . . 3.73 116.148 -170.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.95 -43.32 14.13 Favored 'General case' 0 C--N 1.363 1.163 0 C-N-CA 126.596 1.959 . . . . 1.1299999999999999 112.133 165.639 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 49.7 mm-40 -73.42 -48.35 34.51 Favored 'General case' 0 C--N 1.367 1.338 0 C-N-CA 129.144 2.978 . . . . 0.85999999999999999 113.07 -174.41 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 69.5 p -72.16 -30.88 65.43 Favored 'General case' 0 C--N 1.372 1.544 0 C-N-CA 127.781 2.432 . . . . 1.1200000000000001 111.93 -178.286 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -60.78 -59.27 5.65 Favored 'General case' 0 C--N 1.373 1.604 0 C-N-CA 128.694 2.798 . . . . 1.22 112.227 173.105 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -67.93 -35.37 78.31 Favored 'General case' 0 C--N 1.368 1.372 0 C-N-CA 126.37 1.868 . . . . 1.0600000000000001 114.861 -174.002 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 89.9 mt -69.99 -43.34 71.65 Favored 'General case' 0 C--N 1.363 1.157 0 C-N-CA 125.906 1.682 . . . . 1.05 114.452 177.539 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -71.32 -32.41 68.56 Favored 'General case' 0 C--N 1.364 1.213 0 N-CA-C 115.785 1.772 . . . . 1.6599999999999999 115.785 174.072 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . 0.26 0.0 OUTLIER -78.66 -37.18 42.55 Favored 'General case' 0 C--N 1.371 1.517 0 C-N-CA 124.814 1.245 . . . . 2.54 114.073 -174.267 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.541 3.3 ptm180 -86.28 5.21 35.55 Favored 'General case' 0 C--N 1.365 1.277 0 N-CA-C 117.188 2.292 . . . . 1.8899999999999999 117.188 164.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 23.4 t80 -83.89 -40.52 18.51 Favored 'General case' 0 C--N 1.372 1.569 0 CA-C-N 120.128 1.331 . . . . 0.82999999999999996 114.467 154.403 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 13.4 mmt85 -75.95 -33.4 59.81 Favored 'General case' 0 C--N 1.368 1.407 0 C-N-CA 126.932 2.093 . . . . 4.5700000000000003 113.318 -174.104 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 65.3 tp60 -90.9 -26.5 19.3 Favored 'General case' 0 N--CA 1.433 -1.309 0 C-N-CA 127.742 2.417 . . . . 2.5299999999999998 112.246 -176.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -162.11 150.39 14.84 Favored 'General case' 0 C--N 1.366 1.306 0 N-CA-C 108.544 -0.91 . . . . 2.04 108.544 -169.78 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 84.0 mtt-85 -106.04 -37.63 6.56 Favored 'General case' 0 C--N 1.359 0.993 0 C-N-CA 126.656 1.983 . . . . 4.25 112.775 -178.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 2.5 p90 -82.39 -17.06 46.82 Favored 'General case' 0 C--N 1.359 0.993 0 C-N-CA 128.795 2.838 . . . . 5.9000000000000004 117.891 -150.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . 0.391 0.0 OUTLIER -34.32 103.95 0.03 OUTLIER 'General case' 0 N--CA 1.501 2.122 1 C-N-CA 132.767 4.427 . . . . 1.23 115.137 -178.247 . . . . . . . . 4 3 . 1 . 015 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 25.4 p -109.79 170.59 7.97 Favored 'General case' 0 C--N 1.363 1.167 0 C-N-CA 127.956 2.502 . . . . 2.04 107.497 -167.596 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . 0.256 . . -37.06 -41.46 0.75 Allowed Pre-proline 0 C--N 1.368 1.396 1 N-CA-C 122.077 4.103 . . . . 1.23 122.077 -169.567 . . . . . . . . 3 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -67.81 -29.27 35.52 Favored 'Trans proline' 0 C--N 1.36 1.134 0 C-N-CA 124.258 3.305 . . . . 1.03 115.081 175.486 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -105.45 -26.82 11.77 Favored 'General case' 0 C--N 1.361 1.068 0 C-N-CA 126.952 2.101 . . . . 1.7 114.965 178.485 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 44.4 ttp180 -76.51 -39.8 51.98 Favored 'General case' 0 C--N 1.374 1.649 0 C-N-CA 127.476 2.311 . . . . 3.04 112.447 179.54 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -85.08 -20.09 30.91 Favored 'General case' 0 C--N 1.367 1.337 0 C-N-CA 124.879 1.271 . . . . 1.74 112.209 -178.413 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 46.2 t-80 -78.11 -24.33 47.53 Favored 'General case' 0 C--N 1.369 1.442 0 C-N-CA 128.177 2.591 . . . . 2.0099999999999998 112.281 173.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.69 -51.21 66.08 Favored 'General case' 0 C--N 1.371 1.517 0 C-N-CA 129.095 2.958 . . . . 1.1899999999999999 112.234 168.446 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.48 -31.29 71.26 Favored 'General case' 0 C--N 1.358 0.943 0 C-N-CA 128.575 2.75 . . . . 1.0700000000000001 115.875 175.021 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 46.1 m -81.84 -28.95 32.8 Favored 'General case' 0 C--N 1.362 1.141 0 C-N-CA 125.517 1.527 . . . . 1.03 114.086 174.502 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -79.31 -36.46 39.56 Favored 'General case' 0 C--N 1.362 1.117 0 C-N-CA 127.719 2.407 . . . . 2.3500000000000001 112.01 179.43 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.8 pt -99.8 -12.51 8.41 Favored 'Isoleucine or valine' 0 C--N 1.367 1.328 0 C-N-CA 125.175 1.39 . . . . 1.0700000000000001 111.684 -175.253 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 15.1 tpp180 84.73 43.59 0.02 OUTLIER 'General case' 0 C--N 1.373 1.609 0 C-N-CA 128.498 2.719 . . . . 3.6099999999999999 113.657 165.273 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 77.7 mt -125.16 -173.31 2.78 Favored 'General case' 0 C--N 1.359 0.997 0 C-N-CA 125.076 1.351 . . . . 1.1200000000000001 108.542 178.299 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.4 HG22 ' H ' ' A' ' 51' ' ' THR . 70.2 p -89.59 143.01 29.87 Favored Pre-proline 0 C--N 1.366 1.294 0 C-N-CA 126.889 2.076 . . . . 1.3600000000000001 109.949 -178.413 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_exo -60.25 -20.73 63.67 Favored 'Trans proline' 0 C--N 1.362 1.288 1 C-N-CA 126.231 4.621 . . . . 1.0 116.419 171.456 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.4 ' H ' HG22 ' A' ' 49' ' ' THR . 13.8 t -86.65 -27.44 23.8 Favored 'General case' 0 C--N 1.366 1.293 0 C-N-CA 127.198 2.199 . . . . 1.1299999999999999 111.115 -178.537 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -84.17 -33.65 24.16 Favored 'General case' 0 C--N 1.374 1.633 0 CA-C-N 119.656 1.116 . . . . 1.04 112.785 179.17 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.3 p -66.64 -38.97 82.7 Favored 'Isoleucine or valine' 0 C--N 1.378 1.823 0 C-N-CA 125.192 1.397 . . . . 1.0700000000000001 112.928 168.156 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.2 mmmt -54.11 -51.62 63.61 Favored 'General case' 0 C--N 1.371 1.527 0 C-N-CA 127.263 2.225 . . . . 1.54 115.936 171.261 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.266 6.8 mt -85.96 -8.72 11.17 Favored 'Isoleucine or valine' 0 C--N 1.367 1.342 0 N-CA-C 114.958 1.466 . . . . 1.3200000000000001 114.958 -178.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.466 ' HE1' ' HB3' ' A' ' 74' ' ' GLU . 39.2 t90 -76.98 -41.88 41.17 Favored 'General case' 0 C--N 1.377 1.782 0 C-N-CA 125.643 1.577 . . . . 0.28000000000000003 110.625 170.604 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -81.67 -15.26 55.07 Favored 'General case' 0 C--N 1.367 1.339 0 C-N-CA 126.492 1.917 . . . . 0.46000000000000002 112.836 179.246 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -76.85 -40.06 49.07 Favored 'General case' 0 C--N 1.366 1.302 0 C-N-CA 127.806 2.442 . . . . 1.3400000000000001 112.585 172.262 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 70.7 m-20 -87.74 -15.08 38.01 Favored 'General case' 0 C--N 1.365 1.258 0 C-N-CA 126.551 1.941 . . . . 0.56000000000000005 112.796 -176.026 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 20.1 m80 -83.21 -28.5 29.22 Favored 'General case' 0 C--N 1.363 1.163 0 C-N-CA 126.178 1.791 . . . . 2.3900000000000001 114.274 172.42 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.43 36.99 0.71 Allowed 'General case' 0 C--N 1.368 1.39 0 C-N-CA 126.886 2.075 . . . . 3.79 114.812 175.857 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.407 ' HB3' ' H ' ' A' ' 63' ' ' LYS . 0.1 OUTLIER -126.36 -115.91 0.27 Allowed 'General case' 0 C--N 1.367 1.36 0 O-C-N 119.809 -1.807 . . . . 6.3799999999999999 106.576 -153.214 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.407 ' H ' ' HB3' ' A' ' 62' ' ' TYR . 9.6 ptmm? -134.58 60.79 1.69 Allowed 'General case' 0 C--N 1.339 0.135 0 C-N-CA 127.632 2.373 . . . . 5.9000000000000004 107.528 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -90.03 -11.98 39.89 Favored 'General case' 0 C--N 1.365 1.245 0 C-N-CA 127.433 2.293 . . . . 3.6800000000000002 116.313 -156.759 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 60.6 pttt -90.27 63.04 5.6 Favored 'General case' 0 C--N 1.368 1.377 0 C-N-CA 128.003 2.521 . . . . 8.1699999999999999 111.206 178.58 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 33.1 ptt180 -134.71 -46.43 0.74 Allowed 'General case' 0 C--N 1.354 0.789 0 C-N-CA 127.072 2.149 . . . . 11.25 105.339 177.818 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -100.69 98.16 8.74 Favored 'General case' 0 C--N 1.365 1.263 0 C-N-CA 126.359 1.864 . . . . 9.0999999999999996 107.552 163.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -105.13 91.93 4.0 Favored 'General case' 0 C--N 1.36 1.035 0 C-N-CA 125.438 1.495 . . . . 9.5800000000000001 109.549 -175.184 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -164.33 77.0 0.34 Allowed 'General case' 0 N--CA 1.435 -1.211 0 N-CA-C 102.916 -2.994 . . . . 12.300000000000001 102.916 -178.276 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . 0.385 1.8 pp20? -49.21 -70.7 0.08 Allowed 'General case' 0 C--N 1.364 1.233 0 N-CA-C 119.376 3.102 . . . . 12.57 119.376 -170.552 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -110.67 126.27 54.34 Favored 'General case' 0 C--N 1.373 1.624 0 CA-C-N 122.474 2.397 . . . . 16.329999999999998 108.214 173.43 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 137.05 -46.5 1.01 Allowed Glycine 0 C--N 1.36 1.889 0 N-CA-C 109.371 -1.492 . . . . 15.41 109.371 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 17.5 t80 -67.22 -20.08 65.64 Favored 'General case' 0 C--N 1.37 1.488 0 C-N-CA 128.985 2.914 . . . . 13.81 115.541 177.497 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.466 ' HB3' ' HE1' ' A' ' 56' ' ' TRP . 57.1 mm-40 -121.34 46.4 2.06 Favored 'General case' 0 N--CA 1.438 -1.053 0 C-N-CA 130.455 3.502 . . . . 14.6 106.759 -179.021 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -144.1 -97.23 0.23 Allowed Glycine 0 C--N 1.356 1.67 0 N-CA-C 105.47 -3.052 . . . . 15.93 105.47 -174.771 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -104.67 127.42 28.93 Favored Pre-proline 0 C--N 1.364 1.21 0 C-N-CA 126.15 1.78 . . . . 18.34 107.672 173.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo . . . . . 0 C--O 1.26 1.594 0 CA-C-N 122.353 1.876 . . . . 17.68 110.676 -8.092 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . 2.438 . . . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.452 0.167 . . . . 17.23 110.729 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.5 p -102.68 -27.0 12.98 Favored 'General case' 0 C--N 1.368 1.393 0 C-N-CA 126.792 2.037 . . . . 16.870000000000001 109.052 -179.01 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -163.48 64.29 0.17 Allowed 'General case' 0 C--N 1.357 0.899 0 N-CA-C 104.306 -2.479 . . . . 17.010000000000002 104.306 178.118 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.59 166.96 30.31 Favored Glycine 0 C--N 1.356 1.673 0 N-CA-C 105.578 -3.009 . . . . 15.789999999999999 105.578 -178.586 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.3 pp -154.21 166.48 15.76 Favored Pre-proline 0 C--N 1.357 0.915 0 N-CA-C 106.445 -1.687 . . . . 16.199999999999999 106.445 -172.009 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -80.68 138.41 11.92 Favored 'Trans proline' 0 C--N 1.365 1.44 0 C-N-CA 123.56 2.84 . . . . 14.32 111.969 -178.097 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -134.74 -159.28 0.95 Allowed 'General case' 0 C--N 1.36 1.03 0 N-CA-C 105.312 -2.107 . . . . 15.539999999999999 105.312 179.062 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -105.97 -2.65 22.62 Favored 'General case' 0 C--N 1.362 1.136 0 C-N-CA 126.386 1.875 . . . . 17.23 109.734 177.526 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -114.29 -114.12 0.33 Allowed 'General case' 0 C--N 1.364 1.235 0 C-N-CA 126.561 1.944 . . . . 14.380000000000001 106.281 176.086 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 24.4 tpt180 -159.64 130.61 5.89 Favored 'General case' 0 C--N 1.359 1.007 0 N-CA-C 106.787 -1.56 . . . . 13.85 106.787 179.479 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 60.3 tttm -136.82 -11.44 1.77 Allowed 'General case' 0 C--N 1.357 0.905 0 C-N-CA 126.316 1.846 . . . . 13.210000000000001 106.126 171.519 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . 2.227 0.0 OUTLIER -41.58 -35.66 0.78 Allowed 'General case' 0 C--N 1.367 1.362 1 C-N-CA 134.749 5.22 . . . . 10.609999999999999 119.756 179.772 . . . . . . . . 4 3 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 29.7 mmt85 -87.93 171.11 10.57 Favored 'General case' 0 C--N 1.368 1.384 0 C-N-CA 128.268 2.627 . . . . 8.1999999999999993 110.44 -174.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 2.116 4.1 m -67.35 179.74 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.375 1.712 0 C-N-CA 129.693 3.197 . . . . 4.3600000000000003 114.606 -154.797 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 179.28 86.26 0.01 OUTLIER 'General case' 0 N--CA 1.437 -1.113 0 N-CA-C 104.997 -2.223 . . . . 5.2400000000000002 104.997 -163.156 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.434 ' HB3' ' HB2' ' A' ' 20' ' ' GLN . 44.2 m-85 -105.25 150.25 25.29 Favored 'General case' 0 N--CA 1.434 -1.269 0 C-N-CA 126.385 1.874 . . . . 1.53 110.562 -179.164 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 16.9 m -102.63 -175.94 2.96 Favored 'General case' 0 C--N 1.369 1.418 0 C-N-CA 126.879 2.072 . . . . 1.3100000000000001 108.969 179.457 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.88 0.85 19.38 Favored 'General case' 0 C--N 1.368 1.38 0 N-CA-C 117.061 2.245 . . . . 3.73 117.061 -166.355 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.1 -47.17 10.44 Favored 'General case' 0 C--N 1.36 1.042 0 C-N-CA 126.141 1.776 . . . . 1.1299999999999999 111.648 163.715 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.434 ' HB2' ' HB3' ' A' ' 16' ' ' PHE . 42.8 mm-40 -78.48 -43.18 27.67 Favored 'General case' 0 C--N 1.368 1.412 0 C-N-CA 127.679 2.391 . . . . 0.85999999999999999 111.952 -170.698 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 54.1 p -70.56 -32.39 69.79 Favored 'General case' 0 C--N 1.374 1.666 0 C-N-CA 126.965 2.106 . . . . 1.1200000000000001 112.792 177.059 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -64.74 -49.63 70.06 Favored 'General case' 0 C--N 1.369 1.437 0 C-N-CA 127.789 2.436 . . . . 1.22 112.672 177.077 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -73.99 -35.59 64.45 Favored 'General case' 0 C--N 1.363 1.193 0 N-CA-C 115.482 1.66 . . . . 1.0600000000000001 115.482 -177.099 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 87.5 mt -69.77 -43.35 72.37 Favored 'General case' 0 C--N 1.364 1.214 0 C-N-CA 126.289 1.835 . . . . 1.05 114.566 177.791 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -69.42 -32.68 71.81 Favored 'General case' 0 C--N 1.363 1.179 0 C-N-CA 125.961 1.704 . . . . 1.6599999999999999 114.77 174.094 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.6 ptm180 -80.14 -25.23 39.96 Favored 'General case' 0 C--N 1.372 1.571 0 N-CA-C 115.499 1.666 . . . . 2.54 115.499 -177.383 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.261 40.5 mmm-85 -74.75 -29.72 61.24 Favored 'General case' 0 C--N 1.368 1.404 0 CA-C-O 118.325 -0.845 . . . . 1.8899999999999999 112.358 164.699 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -66.35 -40.08 89.6 Favored 'General case' 0 C--N 1.379 1.87 0 C-N-CA 126.48 1.912 . . . . 0.82999999999999996 113.655 -178.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.39 -16.05 61.85 Favored 'General case' 0 C--N 1.367 1.359 0 C-N-CA 126.614 1.966 . . . . 4.5700000000000003 114.404 177.777 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 59.7 mm-40 -98.35 -32.69 11.39 Favored 'General case' 0 C--N 1.366 1.312 0 C-N-CA 126.099 1.76 . . . . 2.5299999999999998 113.118 175.483 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -166.67 150.44 7.1 Favored 'General case' 0 C--N 1.367 1.347 0 N-CA-C 105.93 -1.878 . . . . 2.04 105.93 -170.021 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 74.2 mmt-85 -100.13 -34.11 10.18 Favored 'General case' 0 C--N 1.359 1.013 0 C-N-CA 125.042 1.337 . . . . 4.25 109.902 -174.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 49.3 m-85 -122.5 140.35 52.85 Favored 'General case' 0 C--N 1.357 0.931 0 C-N-CA 126.395 1.878 . . . . 5.9000000000000004 106.716 177.703 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -144.93 121.35 10.98 Favored 'General case' 0 CA--C 1.501 -0.937 0 N-CA-C 102.634 -3.098 . . . . 1.23 102.634 -171.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 28.8 p -89.64 165.37 14.27 Favored 'General case' 0 C--N 1.366 1.309 0 C-N-CA 127.443 2.297 . . . . 2.04 110.361 -170.694 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.09 -35.8 9.09 Favored Pre-proline 0 C--N 1.366 1.317 0 N-CA-C 120.785 3.624 . . . . 1.23 120.785 -170.258 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_exo -67.45 -31.37 34.45 Favored 'Trans proline' 0 C--N 1.36 1.158 0 C-N-CA 124.279 3.319 . . . . 1.03 115.025 174.63 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -102.83 -20.58 14.25 Favored 'General case' 0 C--N 1.362 1.121 0 C-N-CA 126.482 1.913 . . . . 1.7 114.66 177.442 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 42.5 ttp180 -80.11 -42.0 24.41 Favored 'General case' 0 C--N 1.374 1.667 0 C-N-CA 126.481 1.912 . . . . 3.04 111.72 -179.176 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -80.41 -20.73 43.29 Favored 'General case' 0 C--N 1.367 1.368 0 C-N-CA 126.995 2.118 . . . . 1.74 112.083 -178.42 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 47.2 t-80 -80.6 -28.3 37.13 Favored 'General case' 0 C--N 1.367 1.33 0 C-N-CA 128.139 2.576 . . . . 2.0099999999999998 111.661 175.533 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -74.89 -30.74 61.39 Favored 'General case' 0 C--N 1.368 1.395 0 C-N-CA 128.226 2.61 . . . . 1.1899999999999999 112.149 172.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.21 -26.39 35.96 Favored 'General case' 0 C--N 1.364 1.238 0 C-N-CA 127.738 2.415 . . . . 1.0700000000000001 113.011 176.559 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 68.5 m -85.14 -27.42 26.22 Favored 'General case' 0 C--N 1.36 1.052 0 C-N-CA 125.848 1.659 . . . . 1.03 113.063 174.247 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -75.65 -38.67 58.64 Favored 'General case' 0 C--N 1.363 1.177 0 C-N-CA 127.909 2.484 . . . . 2.3500000000000001 112.112 177.455 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.4 pt -103.95 -17.75 7.09 Favored 'Isoleucine or valine' 0 C--N 1.367 1.356 0 C-N-CA 123.888 0.875 . . . . 1.0700000000000001 112.0 -175.044 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 21.3 tpt180 88.18 63.05 0.01 OUTLIER 'General case' 0 C--N 1.371 1.541 0 C-N-CA 129.263 3.025 . . . . 3.6099999999999999 114.375 167.18 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 95.8 mt -135.11 -170.5 2.59 Favored 'General case' 0 C--N 1.363 1.154 0 C-N-CA 124.319 1.047 . . . . 1.1200000000000001 109.811 178.278 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 71.5 p -96.37 147.39 32.88 Favored Pre-proline 0 C--N 1.37 1.487 0 C-N-CA 127.642 2.377 . . . . 1.3600000000000001 108.864 177.09 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -59.47 -19.7 53.06 Favored 'Trans proline' 0 C--N 1.365 1.419 1 C-N-CA 126.416 4.744 . . . . 1.0 117.201 171.446 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.6 t -88.86 -31.71 18.15 Favored 'General case' 0 C--N 1.365 1.253 0 C-N-CA 126.427 1.891 . . . . 1.1299999999999999 111.315 -175.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -82.57 -31.01 29.25 Favored 'General case' 0 C--N 1.372 1.563 0 CA-C-N 119.762 1.164 . . . . 1.04 112.156 178.47 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 8.2 p -68.58 -42.44 83.5 Favored 'Isoleucine or valine' 0 C--N 1.381 1.97 0 C-N-CA 124.509 1.123 . . . . 1.0700000000000001 112.538 170.148 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.75 -47.42 73.88 Favored 'General case' 0 C--N 1.37 1.47 0 C-N-CA 126.993 2.117 . . . . 1.54 116.081 172.849 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.288 5.5 mt -86.93 -8.21 11.02 Favored 'Isoleucine or valine' 0 C--N 1.367 1.338 0 N-CA-C 115.11 1.522 . . . . 1.3200000000000001 115.11 -179.839 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 44.9 t90 -72.83 -41.63 64.65 Favored 'General case' 0 C--N 1.378 1.843 0 C-N-CA 125.164 1.385 . . . . 0.28000000000000003 111.226 166.43 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -83.02 -14.43 53.96 Favored 'General case' 0 C--N 1.367 1.35 0 C-N-CA 126.115 1.766 . . . . 0.46000000000000002 113.767 -179.488 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -78.08 -38.2 44.77 Favored 'General case' 0 C--N 1.361 1.071 0 C-N-CA 127.658 2.383 . . . . 1.3400000000000001 112.303 174.104 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -89.89 -18.48 26.08 Favored 'General case' 0 C--N 1.367 1.335 0 C-N-CA 126.201 1.8 . . . . 0.56000000000000005 113.397 -177.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 10.6 m80 -81.61 -26.09 35.17 Favored 'General case' 0 C--N 1.364 1.225 0 C-N-CA 126.397 1.879 . . . . 2.3900000000000001 115.192 176.64 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.27 38.82 0.79 Allowed 'General case' 0 C--N 1.368 1.375 0 C-N-CA 126.982 2.113 . . . . 3.79 114.645 177.368 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.416 ' HB3' ' H ' ' A' ' 63' ' ' LYS . 0.1 OUTLIER -130.5 -113.32 0.25 Allowed 'General case' 0 C--N 1.367 1.352 0 O-C-N 120.063 -1.648 . . . . 6.3799999999999999 108.091 -154.708 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.416 ' H ' ' HB3' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -141.77 77.1 1.57 Allowed 'General case' 0 N--CA 1.443 -0.809 0 N-CA-C 101.856 -3.387 . . . . 5.9000000000000004 101.856 -179.334 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -100.33 103.19 14.59 Favored 'General case' 0 N--CA 1.423 -1.798 1 C-N-CA 132.701 4.4 . . . . 3.6800000000000002 104.714 -169.611 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 26.1 pttm -80.85 26.61 0.41 Allowed 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 131.692 3.997 . . . . 8.1699999999999999 114.521 168.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -115.49 157.01 24.65 Favored 'General case' 0 C--N 1.363 1.159 0 C-N-CA 126.891 2.077 . . . . 11.25 107.275 -175.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -89.37 108.61 19.73 Favored 'General case' 0 C--N 1.365 1.242 0 C-N-CA 127.455 2.302 . . . . 9.0999999999999996 109.972 177.245 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -100.72 93.34 5.52 Favored 'General case' 0 C--N 1.362 1.129 0 C-N-CA 127.289 2.236 . . . . 9.5800000000000001 106.429 -178.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 18.1 t30 -151.0 71.98 1.05 Allowed 'General case' 0 N--CA 1.44 -0.965 0 N-CA-C 104.101 -2.555 . . . . 12.300000000000001 104.101 -161.19 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -48.19 -48.04 35.01 Favored 'General case' 0 C--N 1.359 1.007 1 N-CA-C 121.854 4.02 . . . . 12.57 121.854 -166.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -108.86 125.89 52.47 Favored 'General case' 0 C--N 1.372 1.575 0 CA-C-N 122.544 2.429 . . . . 16.329999999999998 108.137 165.404 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 127.11 -34.65 3.04 Favored Glycine 0 C--N 1.359 1.826 0 C-N-CA 124.765 1.174 . . . . 15.41 112.174 172.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -67.92 -27.35 66.56 Favored 'General case' 0 C--N 1.367 1.326 0 C-N-CA 128.719 2.808 . . . . 13.81 115.929 -177.583 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -118.13 35.72 4.63 Favored 'General case' 0 N--CA 1.436 -1.151 0 C-N-CA 128.666 2.786 . . . . 14.6 111.334 -176.822 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 119.28 -102.93 0.95 Allowed Glycine 0 C--N 1.358 1.751 0 N-CA-C 109.313 -1.515 . . . . 15.93 109.313 177.424 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -133.05 -62.89 0.02 OUTLIER Pre-proline 0 C--N 1.361 1.07 0 CA-C-O 116.103 -1.903 . . . . 18.34 108.086 178.221 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo . . . . . 0 C--O 1.258 1.52 0 CA-C-N 125.451 2.982 . . . . 17.68 108.635 163.999 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.593 0.235 . . . . 17.23 110.982 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.7 m -139.6 22.05 2.52 Favored 'General case' 0 C--N 1.361 1.068 0 N-CA-C 106.582 -1.636 . . . . 16.870000000000001 106.582 177.043 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -155.92 86.85 1.05 Allowed 'General case' 0 C--N 1.361 1.079 0 N-CA-C 104.412 -2.44 . . . . 17.010000000000002 104.412 -178.782 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 115.54 -95.93 0.72 Allowed Glycine 0 C--N 1.36 1.868 0 N-CA-C 107.664 -2.175 . . . . 15.789999999999999 107.664 -173.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -169.77 159.18 6.9 Favored Pre-proline 0 C--N 1.361 1.1 0 N-CA-C 105.239 -2.134 . . . . 16.199999999999999 105.239 173.614 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -83.91 111.69 1.7 Allowed 'Trans proline' 0 C--N 1.363 1.29 0 C-N-CA 123.871 3.047 . . . . 14.32 109.029 160.719 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 5.7 p-10 -90.68 81.34 5.84 Favored 'General case' 0 C--N 1.363 1.192 0 C-N-CA 126.551 1.94 . . . . 15.539999999999999 110.467 -176.309 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 46.9 mmtm -124.08 -119.6 0.28 Allowed 'General case' 0 C--N 1.362 1.144 0 C-N-CA 126.326 1.851 . . . . 17.23 106.665 -171.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -113.5 -26.61 8.23 Favored 'General case' 0 C--N 1.363 1.159 0 C-N-CA 126.699 1.999 . . . . 14.380000000000001 108.302 178.665 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.0 tpm_? -135.23 135.45 40.97 Favored 'General case' 0 C--N 1.36 1.064 0 N-CA-C 105.221 -2.141 . . . . 13.85 105.221 175.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 36.4 mmtm -108.17 167.11 10.24 Favored 'General case' 0 C--N 1.361 1.085 0 C-N-CA 126.679 1.991 . . . . 13.210000000000001 107.946 -173.079 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 18.5 ptt180 -71.28 -33.74 70.02 Favored 'General case' 0 C--N 1.371 1.502 0 C-N-CA 128.022 2.529 . . . . 10.609999999999999 114.165 176.35 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.61 149.72 21.14 Favored 'General case' 0 N--CA 1.428 -1.569 0 C-N-CA 129.708 3.203 . . . . 8.1999999999999993 109.667 174.037 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -114.87 143.2 25.14 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.877 0 C-N-CA 129.143 2.977 . . . . 4.3600000000000003 107.61 -155.449 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -132.71 134.3 44.61 Favored 'General case' 0 C--N 1.359 0.993 0 N-CA-C 105.151 -2.166 . . . . 5.2400000000000002 105.151 -178.434 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.403 ' HB3' ' HB2' ' A' ' 20' ' ' GLN . 10.6 m-30 -101.68 149.14 24.44 Favored 'General case' 0 C--N 1.364 1.232 0 C-N-CA 128.307 2.643 . . . . 1.53 108.549 -173.777 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 21.9 m -105.8 -171.57 1.93 Allowed 'General case' 0 C--N 1.365 1.272 0 C-N-CA 126.676 1.99 . . . . 1.3100000000000001 108.701 -178.476 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.0 mtpp -85.02 7.03 22.83 Favored 'General case' 0 C--N 1.369 1.456 0 C-N-CA 127.162 2.185 . . . . 3.73 114.162 -170.062 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.26 -46.81 10.67 Favored 'General case' 0 C--N 1.362 1.117 0 C-N-CA 126.718 2.007 . . . . 1.1299999999999999 111.976 160.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.403 ' HB2' ' HB3' ' A' ' 16' ' ' PHE . 46.7 mm-40 -73.27 -49.82 25.57 Favored 'General case' 0 C--N 1.37 1.499 0 C-N-CA 128.745 2.818 . . . . 0.85999999999999999 112.892 -171.708 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 73.3 p -71.52 -28.79 64.13 Favored 'General case' 0 C--N 1.367 1.363 0 C-N-CA 127.475 2.31 . . . . 1.1200000000000001 112.639 -179.294 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 50.1 t80 -66.0 -52.07 52.67 Favored 'General case' 0 C--N 1.369 1.421 0 C-N-CA 128.428 2.691 . . . . 1.22 112.782 176.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -72.07 -37.35 69.65 Favored 'General case' 0 C--N 1.362 1.115 0 N-CA-C 115.321 1.6 . . . . 1.0600000000000001 115.321 -177.501 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 93.4 mt -69.53 -42.2 74.97 Favored 'General case' 0 C--N 1.363 1.193 0 C-N-CA 126.29 1.836 . . . . 1.05 114.464 179.125 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -72.71 -33.04 66.18 Favored 'General case' 0 C--N 1.363 1.161 0 C-N-CA 126.28 1.832 . . . . 1.6599999999999999 115.583 173.323 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.9 ptm180 -76.87 -28.91 55.6 Favored 'General case' 0 C--N 1.372 1.586 0 N-CA-C 114.961 1.467 . . . . 2.54 114.961 -176.481 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 17.5 mmt85 -76.32 -32.72 58.86 Favored 'General case' 0 C--N 1.367 1.356 0 C-N-CA 124.019 0.928 . . . . 1.8899999999999999 112.584 164.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 47.4 t80 -69.67 -29.41 66.85 Favored 'General case' 0 C--N 1.371 1.543 0 CA-C-N 120.41 1.459 . . . . 0.82999999999999996 114.098 -173.015 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 13.1 mmt85 -78.34 -19.38 53.6 Favored 'General case' 0 C--N 1.364 1.236 0 C-N-CA 124.629 1.171 . . . . 4.5700000000000003 113.824 174.749 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 65.0 tp60 -98.43 -29.22 13.24 Favored 'General case' 0 N--CA 1.432 -1.375 0 C-N-CA 127.811 2.444 . . . . 2.5299999999999998 112.897 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -167.56 157.4 10.5 Favored 'General case' 0 C--N 1.37 1.473 0 CA-C-N 120.153 1.342 . . . . 2.04 108.421 -165.562 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.1 mmt180 -105.95 -35.74 7.2 Favored 'General case' 0 C--N 1.373 1.597 0 C-N-CA 125.159 1.384 . . . . 4.25 108.879 172.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . 1.98 0.0 OUTLIER -88.57 103.44 15.9 Favored 'General case' 0 N--CA 1.432 -1.333 1 C-N-CA 133.748 4.819 . . . . 5.9000000000000004 115.488 -164.846 . . . . . . . . 4 3 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . 0.278 0.0 OUTLIER -140.69 118.26 11.57 Favored 'General case' 0 C--N 1.363 1.157 0 N-CA-C 104.272 -2.492 . . . . 1.23 104.272 179.266 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 25.8 p -89.92 169.98 10.77 Favored 'General case' 0 C--N 1.368 1.396 0 C-N-CA 128.455 2.702 . . . . 2.04 108.996 -171.458 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.39 -35.99 18.81 Favored Pre-proline 0 C--N 1.366 1.296 0 N-CA-C 120.084 3.364 . . . . 1.23 120.084 -172.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -67.44 -26.23 40.99 Favored 'Trans proline' 0 C--N 1.36 1.159 0 C-N-CA 124.384 3.39 . . . . 1.03 115.408 172.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -107.5 -22.91 12.37 Favored 'General case' 0 C--N 1.362 1.125 0 C-N-CA 126.296 1.838 . . . . 1.7 115.087 177.754 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 58.4 ttm-85 -80.19 -41.33 25.48 Favored 'General case' 0 C--N 1.376 1.728 0 CA-C-N 121.45 1.932 . . . . 3.04 111.151 179.283 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -81.14 -22.89 38.7 Favored 'General case' 0 C--N 1.371 1.538 0 C-N-CA 126.266 1.826 . . . . 1.74 112.193 -177.144 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 21.6 t60 -82.89 -25.88 32.06 Favored 'General case' 0 C--N 1.366 1.295 0 C-N-CA 127.881 2.473 . . . . 2.0099999999999998 111.146 177.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -76.86 -28.24 55.35 Favored 'General case' 0 C--N 1.368 1.392 0 C-N-CA 128.237 2.615 . . . . 1.1899999999999999 112.216 171.294 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -80.16 -28.82 38.75 Favored 'General case' 0 C--N 1.364 1.201 0 C-N-CA 127.168 2.187 . . . . 1.0700000000000001 112.716 176.012 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 62.7 m -85.12 -26.83 26.64 Favored 'General case' 0 C--N 1.361 1.089 0 C-N-CA 126.22 1.808 . . . . 1.03 113.562 174.694 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -75.76 -38.91 57.92 Favored 'General case' 0 C--N 1.362 1.14 0 C-N-CA 127.529 2.332 . . . . 2.3500000000000001 112.013 177.168 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.5 pt -100.97 -21.38 5.13 Favored 'Isoleucine or valine' 0 C--N 1.365 1.279 0 C-N-CA 124.13 0.972 . . . . 1.0700000000000001 112.538 -174.273 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 9.3 tpp180 84.24 66.25 0.01 OUTLIER 'General case' 0 C--N 1.372 1.569 0 C-N-CA 129.006 2.922 . . . . 3.6099999999999999 113.472 174.306 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 70.5 mt -139.62 -172.26 3.33 Favored 'General case' 0 C--N 1.359 1.013 0 N-CA-C 107.358 -1.349 . . . . 1.1200000000000001 107.358 172.787 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 69.2 p -95.67 148.18 34.18 Favored Pre-proline 0 C--N 1.368 1.388 0 C-N-CA 127.294 2.238 . . . . 1.3600000000000001 108.461 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_exo -57.83 -23.36 58.41 Favored 'Trans proline' 0 C--N 1.362 1.259 1 C-N-CA 126.565 4.843 . . . . 1.0 117.468 170.541 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.5 t -88.1 -29.11 20.86 Favored 'General case' 0 C--N 1.365 1.263 0 C-N-CA 125.789 1.635 . . . . 1.1299999999999999 111.342 -175.223 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -83.9 -33.36 24.76 Favored 'General case' 0 C--N 1.37 1.46 0 CA-C-N 119.406 1.003 . . . . 1.04 112.311 179.124 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.5 p -67.23 -41.6 86.91 Favored 'Isoleucine or valine' 0 C--N 1.38 1.897 0 C-N-CA 125.493 1.517 . . . . 1.0700000000000001 113.264 170.443 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.69 -49.02 77.9 Favored 'General case' 0 C--N 1.373 1.591 0 C-N-CA 128.538 2.735 . . . . 1.54 113.868 174.066 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.29 6.3 mt -84.78 -6.02 10.04 Favored 'Isoleucine or valine' 0 C--N 1.366 1.324 0 N-CA-C 115.007 1.484 . . . . 1.3200000000000001 115.007 179.518 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 28.2 t90 -73.54 -42.8 61.25 Favored 'General case' 0 C--N 1.378 1.82 0 C-N-CA 125.412 1.485 . . . . 0.28000000000000003 111.26 165.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -83.24 -14.48 53.14 Favored 'General case' 0 C--N 1.369 1.441 0 C-N-CA 126.222 1.809 . . . . 0.46000000000000002 113.514 -179.611 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -78.87 -38.89 36.61 Favored 'General case' 0 C--N 1.362 1.11 0 C-N-CA 127.469 2.308 . . . . 1.3400000000000001 112.487 175.242 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 65.7 m-20 -89.91 -24.84 21.22 Favored 'General case' 0 C--N 1.367 1.33 0 C-N-CA 125.923 1.689 . . . . 0.56000000000000005 113.647 -174.732 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 8.2 m80 -77.67 -20.81 53.1 Favored 'General case' 0 C--N 1.364 1.239 0 C-N-CA 126.31 1.844 . . . . 2.3900000000000001 115.74 -179.49 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.8 ptm180 -85.48 49.07 1.69 Allowed 'General case' 0 C--N 1.368 1.374 0 C-N-CA 126.857 2.063 . . . . 3.79 114.901 -174.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -124.33 53.85 1.4 Allowed 'General case' 0 C--N 1.371 1.509 0 O-C-N 120.748 -1.22 . . . . 6.3799999999999999 110.07 173.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.6 ptmt 51.13 38.39 20.77 Favored 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 128.274 2.63 . . . . 5.9000000000000004 115.02 169.337 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.9 m -81.87 -11.76 58.78 Favored 'General case' 0 C--N 1.371 1.52 0 C-N-CA 126.88 2.072 . . . . 3.6800000000000002 115.684 -146.374 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -90.15 25.92 2.03 Favored 'General case' 0 C--N 1.37 1.458 0 C-N-CA 126.729 2.011 . . . . 8.1699999999999999 113.218 -175.056 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 35.1 ttm180 -142.27 144.13 33.16 Favored 'General case' 0 C--N 1.36 1.042 0 N-CA-C 105.604 -1.999 . . . . 11.25 105.604 178.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -99.9 -36.48 9.39 Favored 'General case' 0 C--N 1.363 1.182 0 C-N-CA 125.743 1.617 . . . . 9.0999999999999996 110.947 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -92.27 74.26 5.35 Favored 'General case' 0 C--N 1.367 1.368 0 CA-C-O 124.763 2.221 . . . . 9.5800000000000001 109.324 -178.667 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -146.57 69.19 1.18 Allowed 'General case' 0 N--CA 1.44 -0.967 0 CA-C-N 110.421 -3.081 . . . . 12.300000000000001 104.83 -170.605 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . 0.335 1.0 OUTLIER -49.36 -76.13 0.02 OUTLIER 'General case' 0 C--N 1.36 1.025 0 C-N-CA 129.596 3.158 . . . . 12.57 118.74 -178.215 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -104.78 128.59 52.98 Favored 'General case' 0 C--N 1.371 1.525 0 CA-C-N 121.786 2.084 . . . . 16.329999999999998 108.171 172.222 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 133.99 -32.94 2.6 Favored Glycine 0 C--N 1.359 1.846 0 C-N-CA 124.745 1.164 . . . . 15.41 111.091 172.458 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 23.3 t80 -65.9 -24.49 66.86 Favored 'General case' 0 C--N 1.366 1.29 0 C-N-CA 130.238 3.415 . . . . 13.81 116.146 -179.4 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -116.29 37.45 3.71 Favored 'General case' 0 N--CA 1.444 -0.755 0 C-N-CA 128.125 2.57 . . . . 14.6 110.094 -172.38 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 96.22 -98.47 2.2 Favored Glycine 0 C--N 1.362 2.016 0 C-N-CA 125.811 1.672 . . . . 15.93 109.809 -178.474 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 62.4 t-80 -150.94 94.34 3.56 Favored Pre-proline 0 C--N 1.356 0.882 0 N-CA-C 105.125 -2.176 . . . . 18.34 105.125 171.428 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo . . . . . 0 C--O 1.261 1.675 0 C-N-CA 123.498 2.799 . . . . 17.68 110.777 175.33 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.269 0 CA-C-O 121.416 0.627 . . . . 17.23 110.575 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.8 t -155.65 -141.04 0.09 Allowed 'General case' 0 C--N 1.359 0.989 0 N-CA-C 104.277 -2.49 . . . . 16.870000000000001 104.277 -179.42 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -136.69 17.28 3.09 Favored 'General case' 0 C--N 1.359 1.007 0 C-N-CA 126.546 1.938 . . . . 17.010000000000002 106.088 170.263 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.2 -144.08 8.55 Favored Glycine 0 C--N 1.362 1.996 0 C-N-CA 126.969 2.223 . . . . 15.789999999999999 107.978 175.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.4 mp -126.07 105.24 25.64 Favored Pre-proline 0 C--N 1.365 1.247 0 CA-C-O 115.511 -2.185 . . . . 16.199999999999999 105.954 179.064 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -83.05 150.2 13.8 Favored 'Trans proline' 0 C--N 1.368 1.583 0 CA-C-N 126.262 3.272 . . . . 14.32 111.728 -166.807 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 12.5 p-10 -100.23 -22.14 15.24 Favored 'General case' 0 C--N 1.362 1.149 0 C-N-CA 126.333 1.853 . . . . 15.539999999999999 112.232 -175.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -113.34 37.94 3.03 Favored 'General case' 0 C--N 1.364 1.23 0 C-N-CA 125.65 1.58 . . . . 17.23 109.193 -178.357 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -161.09 -48.76 0.04 OUTLIER 'General case' 0 C--N 1.357 0.914 0 N-CA-C 105.695 -1.965 . . . . 14.380000000000001 105.695 179.11 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.279 23.4 mmt85 88.56 -45.79 0.03 OUTLIER 'General case' 0 C--N 1.369 1.42 0 C-N-CA 129.272 3.029 . . . . 13.85 113.102 177.662 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -94.27 141.98 27.94 Favored 'General case' 0 C--N 1.361 1.109 0 C-N-CA 126.876 2.071 . . . . 13.210000000000001 110.534 -176.145 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . 0.328 8.4 ptm180 49.23 127.65 0.0 OUTLIER 'General case' 0 C--N 1.364 1.203 1 C-N-CA 132.923 4.489 . . . . 10.609999999999999 119.274 176.148 . . . . . . . . 3 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 49.6 mmm-85 -98.3 167.93 10.54 Favored 'General case' 0 C--N 1.369 1.433 0 C-N-CA 129.425 3.09 . . . . 8.1999999999999993 110.112 14.349 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.307 4.0 t -104.59 18.34 4.86 Favored 'Isoleucine or valine' 0 C--N 1.364 1.217 0 C-N-CA 130.002 3.321 . . . . 4.3600000000000003 110.098 -160.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.7 mp -84.62 100.07 11.19 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 129.53 3.132 . . . . 5.2400000000000002 110.641 -172.11 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -87.3 151.47 23.09 Favored 'General case' 0 C--N 1.365 1.245 0 C-N-CA 127.952 2.501 . . . . 1.53 115.369 -166.09 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 27.4 m -112.1 -169.98 1.57 Allowed 'General case' 0 C--N 1.368 1.383 0 C-N-CA 127.37 2.268 . . . . 1.3100000000000001 107.512 170.076 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 50.2 pttt -81.21 -1.15 43.65 Favored 'General case' 0 C--N 1.369 1.428 0 C-N-CA 126.807 2.043 . . . . 3.73 115.927 -169.356 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -81.46 -41.48 21.75 Favored 'General case' 0 C--N 1.364 1.217 0 C-N-CA 126.482 1.913 . . . . 1.1299999999999999 112.07 166.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 37.2 mm-40 -77.33 -45.67 25.4 Favored 'General case' 0 C--N 1.365 1.259 0 C-N-CA 128.181 2.592 . . . . 0.85999999999999999 112.64 -169.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 76.1 p -69.17 -36.64 77.58 Favored 'General case' 0 C--N 1.371 1.504 0 C-N-CA 127.208 2.203 . . . . 1.1200000000000001 111.953 -179.256 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -60.7 -53.59 55.62 Favored 'General case' 0 C--N 1.367 1.367 0 C-N-CA 130.374 3.47 . . . . 1.22 113.487 177.348 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -72.46 -37.55 68.49 Favored 'General case' 0 C--N 1.364 1.209 0 C-N-CA 126.18 1.792 . . . . 1.0600000000000001 115.315 -176.143 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 92.9 mt -68.1 -40.74 82.51 Favored 'General case' 0 C--N 1.365 1.25 0 C-N-CA 126.478 1.911 . . . . 1.05 114.75 177.211 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -70.37 -33.73 71.78 Favored 'General case' 0 C--N 1.363 1.186 0 C-N-CA 126.332 1.853 . . . . 1.6599999999999999 115.08 174.148 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.7 ptp180 -76.24 -33.13 59.18 Favored 'General case' 0 C--N 1.371 1.513 0 N-CA-C 116.155 1.909 . . . . 2.54 116.155 -178.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.269 2.3 mmm180 -75.9 -21.25 57.31 Favored 'General case' 0 C--N 1.371 1.538 0 N-CA-C 113.201 0.815 . . . . 1.8899999999999999 113.201 166.071 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -75.41 -23.05 56.98 Favored 'General case' 0 C--N 1.371 1.508 0 CA-C-N 120.671 1.578 . . . . 0.82999999999999996 114.678 174.083 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 36.0 mmt-85 -86.06 -40.18 16.02 Favored 'General case' 0 C--N 1.364 1.23 0 C-N-CA 125.776 1.63 . . . . 4.5700000000000003 113.408 177.798 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 66.8 tp60 -86.03 -21.34 27.8 Favored 'General case' 0 C--N 1.368 1.388 0 C-N-CA 128.202 2.601 . . . . 2.5299999999999998 112.773 -177.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.3 mm100 -134.22 -176.17 4.11 Favored 'General case' 0 C--N 1.362 1.12 0 N-CA-C 106.678 -1.601 . . . . 2.04 106.678 -177.51 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 28.0 mtp85 -106.11 -58.11 1.96 Allowed 'General case' 0 C--N 1.36 1.023 0 C-N-CA 126.376 1.87 . . . . 4.25 111.396 146.468 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 47.7 p90 -121.62 148.73 44.16 Favored 'General case' 0 N--CA 1.44 -0.937 0 C-N-CA 129.374 3.07 . . . . 5.9000000000000004 108.574 -157.758 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -152.16 120.53 6.37 Favored 'General case' 0 N--CA 1.441 -0.92 0 N-CA-C 103.904 -2.628 . . . . 1.23 103.904 -167.043 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 26.3 p -89.02 169.37 11.58 Favored 'General case' 0 C--N 1.368 1.373 0 C-N-CA 128.23 2.612 . . . . 2.04 109.571 -171.414 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.53 -37.25 21.3 Favored Pre-proline 0 C--N 1.366 1.31 0 N-CA-C 120.253 3.427 . . . . 1.23 120.253 -173.077 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -67.68 -30.21 34.94 Favored 'Trans proline' 0 C--N 1.36 1.161 0 C-N-CA 124.282 3.322 . . . . 1.03 115.062 173.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -101.02 -21.45 15.02 Favored 'General case' 0 C--N 1.363 1.157 0 C-N-CA 126.535 1.934 . . . . 1.7 114.507 178.204 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 65.2 ttp85 -84.23 -35.09 23.69 Favored 'General case' 0 C--N 1.375 1.683 0 C-N-CA 126.08 1.752 . . . . 3.04 112.231 -178.449 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 54.7 mm-40 -79.78 -21.06 44.84 Favored 'General case' 0 C--N 1.366 1.283 0 C-N-CA 127.404 2.281 . . . . 1.74 112.279 177.355 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 20.4 t60 -83.34 -30.12 27.72 Favored 'General case' 0 C--N 1.365 1.277 0 C-N-CA 128.293 2.637 . . . . 2.0099999999999998 111.51 178.639 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.4 -47.99 71.53 Favored 'General case' 0 C--N 1.371 1.501 0 C-N-CA 129.574 3.15 . . . . 1.1899999999999999 111.57 171.842 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.87 -28.95 66.07 Favored 'General case' 0 C--N 1.354 0.78 0 C-N-CA 128.609 2.764 . . . . 1.0700000000000001 116.513 179.255 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 75.7 m -83.26 -28.25 29.29 Favored 'General case' 0 C--N 1.361 1.095 0 C-N-CA 126.04 1.736 . . . . 1.03 112.871 174.096 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -73.41 -37.28 65.99 Favored 'General case' 0 C--N 1.362 1.146 0 C-N-CA 127.281 2.232 . . . . 2.3500000000000001 113.024 175.421 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.656 HD11 HD22 ' A' ' 48' ' ' LEU . 2.8 pt -105.59 -13.4 9.36 Favored 'Isoleucine or valine' 0 C--N 1.366 1.319 0 C-N-CA 124.566 1.146 . . . . 1.0700000000000001 112.317 -173.83 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 15.7 tpp180 87.58 41.76 0.01 OUTLIER 'General case' 0 C--N 1.37 1.495 0 C-N-CA 129.109 2.964 . . . . 3.6099999999999999 115.132 164.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.656 HD22 HD11 ' A' ' 46' ' ' ILE . 0.2 OUTLIER -113.2 179.31 4.0 Favored 'General case' 0 C--N 1.361 1.108 0 C-N-CA 125.71 1.604 . . . . 1.1200000000000001 110.115 -179.034 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 72.8 p -96.62 151.62 38.06 Favored Pre-proline 0 C--N 1.366 1.318 0 C-N-CA 127.244 2.218 . . . . 1.3600000000000001 109.187 175.624 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.413 ' HA ' HG12 ' A' ' 53' ' ' VAL . 10.5 Cg_exo -57.27 -18.36 30.03 Favored 'Trans proline' 0 C--N 1.366 1.448 1 C-N-CA 126.515 4.81 . . . . 1.0 118.47 172.719 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 14.7 t -88.77 -41.0 12.8 Favored 'General case' 0 C--N 1.366 1.298 0 CA-C-N 120.13 1.332 . . . . 1.1299999999999999 111.827 -174.547 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -67.01 -38.34 85.78 Favored 'General case' 0 C--N 1.364 1.22 0 C-N-CA 126.846 2.059 . . . . 1.04 113.351 172.024 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.413 HG12 ' HA ' ' A' ' 50' ' ' PRO . 10.3 p -65.63 -46.69 88.68 Favored 'Isoleucine or valine' 0 C--N 1.382 1.992 0 N-CA-C 113.821 1.045 . . . . 1.0700000000000001 113.821 173.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.39 -43.09 99.64 Favored 'General case' 0 C--N 1.374 1.659 0 C-N-CA 126.013 1.725 . . . . 1.54 115.267 179.549 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.279 12.1 mt -85.12 -9.6 11.38 Favored 'Isoleucine or valine' 0 C--N 1.367 1.338 0 C-N-CA 125.271 1.428 . . . . 1.3200000000000001 114.692 -179.417 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 38.7 t90 -75.24 -40.88 58.6 Favored 'General case' 0 C--N 1.381 1.948 0 CA-C-N 120.225 1.375 . . . . 0.28000000000000003 110.936 165.26 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -79.4 -14.28 59.05 Favored 'General case' 0 C--N 1.368 1.383 0 C-N-CA 124.96 1.304 . . . . 0.46000000000000002 114.149 178.107 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -75.38 -43.28 51.11 Favored 'General case' 0 C--N 1.362 1.122 0 C-N-CA 127.346 2.258 . . . . 1.3400000000000001 112.489 169.064 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 56.6 m-20 -95.0 -25.71 16.38 Favored 'General case' 0 C--N 1.365 1.244 0 C-N-CA 125.561 1.545 . . . . 0.56000000000000005 114.327 -168.531 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -90.55 24.93 2.45 Favored 'General case' 0 C--N 1.367 1.347 0 N-CA-C 114.466 1.284 . . . . 2.3900000000000001 114.466 -170.418 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . 0.284 0.0 OUTLIER -85.78 -38.49 18.14 Favored 'General case' 0 C--N 1.364 1.227 0 C-N-CA 125.384 1.474 . . . . 3.79 112.994 158.735 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER 73.76 24.58 2.12 Favored 'General case' 0 N--CA 1.507 2.404 0 N-CA-C 115.924 1.824 . . . . 6.3799999999999999 115.924 134.561 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . 0.267 0.0 OUTLIER 53.95 63.35 2.22 Favored 'General case' 0 N--CA 1.499 2.022 0 C-N-CA 127.202 2.201 . . . . 5.9000000000000004 113.866 -174.624 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . 0.289 2.9 p -57.25 -30.94 65.06 Favored 'General case' 0 C--N 1.358 0.951 0 N-CA-C 120.066 3.358 . . . . 3.6800000000000002 120.066 -139.25 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -75.5 -34.07 60.81 Favored 'General case' 0 C--N 1.363 1.167 0 C-N-CA 126.707 2.003 . . . . 8.1699999999999999 115.008 177.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 27.3 mmt85 -124.8 67.12 1.1 Allowed 'General case' 0 C--N 1.366 1.285 0 N-CA-C 105.762 -1.94 . . . . 11.25 105.762 176.429 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -100.25 -27.9 13.26 Favored 'General case' 0 C--N 1.367 1.344 0 C-N-CA 126.06 1.744 . . . . 9.0999999999999996 110.302 -172.18 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . 2.306 0.0 OUTLIER -67.12 -31.01 71.18 Favored 'General case' 0 C--N 1.376 1.721 0 C-N-CA 130.456 3.502 . . . . 9.5800000000000001 112.848 165.27 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . 2.277 0.9 OUTLIER -59.83 -21.87 61.49 Favored 'General case' 0 CA--C 1.495 -1.145 1 C-N-CA 133.077 4.551 . . . . 12.300000000000001 117.224 -176.143 . . . . . . . . 4 3 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -46.89 -29.93 2.26 Favored 'General case' 0 C--N 1.362 1.149 1 N-CA-C 122.039 4.088 . . . . 12.57 122.039 -162.013 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.52 121.07 42.7 Favored 'General case' 0 C--N 1.368 1.412 0 CA-C-N 121.506 1.957 . . . . 16.329999999999998 108.767 160.783 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 128.6 -51.57 0.85 Allowed Glycine 0 C--N 1.356 1.658 0 N-CA-C 108.376 -1.89 . . . . 15.41 108.376 179.183 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 20.7 t80 -77.43 -19.66 55.73 Favored 'General case' 0 C--N 1.36 1.043 0 C-N-CA 128.737 2.815 . . . . 13.81 115.732 -172.314 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -121.15 42.63 3.01 Favored 'General case' 0 N--CA 1.44 -0.946 0 C-N-CA 128.132 2.573 . . . . 14.6 108.291 -175.615 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 161.72 -114.87 0.63 Allowed Glycine 0 C--N 1.356 1.692 0 N-CA-C 107.086 -2.405 . . . . 15.93 107.086 179.415 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -146.9 140.63 15.21 Favored Pre-proline 0 C--N 1.36 1.037 0 N-CA-C 105.045 -2.206 . . . . 18.34 105.045 -178.276 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo . . . . . 0 C--O 1.262 1.705 0 C-N-CA 123.731 2.954 . . . . 17.68 109.21 173.775 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 121.324 0.583 . . . . 17.23 110.976 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.6 m -140.28 -149.07 0.26 Allowed 'General case' 0 C--N 1.362 1.126 0 N-CA-C 105.759 -1.941 . . . . 16.870000000000001 105.759 -177.585 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -156.34 145.66 20.64 Favored 'General case' 0 C--N 1.362 1.115 0 N-CA-C 104.961 -2.237 . . . . 17.010000000000002 104.961 -177.76 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.97 -138.46 4.16 Favored Glycine 0 C--N 1.356 1.645 0 N-CA-C 107.315 -2.314 . . . . 15.789999999999999 107.315 -178.334 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . 0.287 16.9 mt -117.37 -58.38 0.04 OUTLIER Pre-proline 0 C--N 1.364 1.237 0 CA-C-O 116.025 -1.941 . . . . 16.199999999999999 110.566 -178.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -80.98 114.09 2.84 Favored 'Trans proline' 0 C--N 1.366 1.473 0 C-N-CA 123.799 3.0 . . . . 14.32 111.037 176.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 48.3 t30 -98.8 71.75 1.93 Allowed 'General case' 0 C--N 1.367 1.357 0 C-N-CA 127.467 2.307 . . . . 15.539999999999999 106.995 177.587 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -129.9 -32.41 1.87 Allowed 'General case' 0 C--N 1.358 0.953 0 C-N-CA 126.739 2.016 . . . . 17.23 106.325 -170.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 42.1 ttmt -151.84 143.23 23.42 Favored 'General case' 0 C--N 1.359 0.98 0 N-CA-C 103.111 -2.922 . . . . 14.380000000000001 103.111 167.676 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 32.3 mmt180 -124.45 69.01 1.08 Allowed 'General case' 0 C--N 1.362 1.131 0 C-N-CA 124.998 1.319 . . . . 13.85 107.952 176.585 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . 0.299 58.8 tttt 83.01 -92.61 0.01 OUTLIER 'General case' 0 C--N 1.363 1.176 0 C-N-CA 128.614 2.766 . . . . 13.210000000000001 114.083 165.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.403 ' HA ' ' HA ' ' A' ' 13' ' ' ARG . 3.9 ptp180 -55.68 121.15 8.48 Favored 'General case' 0 C--N 1.363 1.182 0 C-N-CA 130.504 3.522 . . . . 10.609999999999999 117.725 -172.447 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.403 ' HA ' ' HA ' ' A' ' 12' ' ' ARG . 18.0 mmm180 -97.11 169.03 10.09 Favored 'General case' 0 C--N 1.374 1.632 0 C-N-CA 130.552 3.541 . . . . 8.1999999999999993 110.181 -3.14 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.29 11.0 t -101.58 18.07 3.68 Favored 'Isoleucine or valine' 0 C--N 1.366 1.308 0 C-N-CA 129.735 3.214 . . . . 4.3600000000000003 111.199 -158.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 79.2 mt -78.7 102.63 8.16 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 129.502 3.121 . . . . 5.2400000000000002 112.711 -172.231 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.488 ' HB3' ' HB2' ' A' ' 20' ' ' GLN . 22.7 m-85 -105.18 150.43 25.08 Favored 'General case' 0 N--CA 1.435 -1.201 0 C-N-CA 128.874 2.869 . . . . 1.53 112.446 -170.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 30.7 m -107.46 -173.57 2.32 Favored 'General case' 0 C--N 1.365 1.275 0 C-N-CA 127.156 2.183 . . . . 1.3100000000000001 107.649 173.342 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -85.34 10.68 11.97 Favored 'General case' 0 C--N 1.368 1.403 0 C-N-CA 126.464 1.906 . . . . 3.73 115.392 -169.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.24 -44.12 13.17 Favored 'General case' 0 C--N 1.362 1.129 0 C-N-CA 126.655 1.982 . . . . 1.1299999999999999 112.343 159.221 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.488 ' HB2' ' HB3' ' A' ' 16' ' ' PHE . 50.0 mm-40 -77.0 -45.78 26.11 Favored 'General case' 0 C--N 1.369 1.425 0 C-N-CA 128.331 2.652 . . . . 0.85999999999999999 111.996 -171.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 72.2 p -67.64 -34.67 77.43 Favored 'General case' 0 C--N 1.374 1.639 0 C-N-CA 128.289 2.636 . . . . 1.1200000000000001 112.11 177.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -58.28 -57.4 13.04 Favored 'General case' 0 C--N 1.371 1.542 0 C-N-CA 128.719 2.808 . . . . 1.22 112.717 174.241 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -66.8 -37.47 84.61 Favored 'General case' 0 C--N 1.369 1.436 0 C-N-CA 125.969 1.707 . . . . 1.0600000000000001 115.536 -175.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 98.6 mt -66.89 -37.15 83.84 Favored 'General case' 0 C--N 1.364 1.198 0 C-N-CA 126.98 2.112 . . . . 1.05 115.747 176.751 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -77.01 -27.08 54.49 Favored 'General case' 0 C--N 1.359 0.984 0 C-N-CA 126.74 2.016 . . . . 1.6599999999999999 114.332 176.352 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 11.3 mtm180 -69.57 -45.6 68.31 Favored 'General case' 0 C--N 1.377 1.796 0 C-N-CA 124.521 1.128 . . . . 2.54 112.488 175.658 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.307 4.0 mmm180 -71.29 -28.07 63.87 Favored 'General case' 0 C--N 1.381 1.956 0 CA-C-N 115.685 -0.689 . . . . 1.8899999999999999 112.592 -179.228 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -68.35 -36.02 78.61 Favored 'General case' 0 C--N 1.376 1.737 0 C-N-CA 128.016 2.527 . . . . 0.82999999999999996 113.713 178.385 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.1 mmt85 -79.23 -14.83 58.8 Favored 'General case' 0 C--N 1.367 1.349 0 C-N-CA 124.846 1.258 . . . . 4.5700000000000003 113.994 178.352 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 94.7 mm-40 -95.19 -31.99 13.26 Favored 'General case' 0 C--N 1.368 1.408 0 C-N-CA 126.004 1.721 . . . . 2.5299999999999998 112.991 173.069 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -167.63 153.46 7.48 Favored 'General case' 0 C--N 1.366 1.311 0 N-CA-C 106.024 -1.843 . . . . 2.04 106.024 -166.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 77.0 mmt-85 -102.17 -34.05 9.42 Favored 'General case' 0 C--N 1.359 1.008 0 C-N-CA 124.788 1.235 . . . . 4.25 110.225 -175.667 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -121.06 139.03 53.88 Favored 'General case' 0 C--N 1.358 0.944 0 C-N-CA 125.897 1.679 . . . . 5.9000000000000004 107.9 179.165 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -144.26 122.29 12.1 Favored 'General case' 0 CA--C 1.501 -0.919 0 C-N-CA 129.73 3.212 . . . . 1.23 102.356 -172.309 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 9.5 m -90.64 164.16 14.28 Favored 'General case' 0 C--N 1.366 1.313 0 C-N-CA 126.487 1.915 . . . . 2.04 109.864 -170.214 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -46.14 -35.13 3.83 Favored Pre-proline 0 C--N 1.367 1.352 0 N-CA-C 121.047 3.721 . . . . 1.23 121.047 -170.735 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_exo -66.98 -32.7 34.56 Favored 'Trans proline' 0 C--N 1.36 1.162 0 C-N-CA 124.265 3.31 . . . . 1.03 115.107 174.085 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -102.55 -19.3 14.91 Favored 'General case' 0 C--N 1.362 1.145 0 C-N-CA 126.239 1.815 . . . . 1.7 114.738 176.704 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 42.1 ttp180 -80.02 -41.97 24.74 Favored 'General case' 0 C--N 1.375 1.681 0 C-N-CA 126.243 1.817 . . . . 3.04 111.68 -179.436 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -81.47 -20.17 40.8 Favored 'General case' 0 C--N 1.369 1.443 0 C-N-CA 126.711 2.004 . . . . 1.74 112.287 -177.472 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 21.2 t60 -84.29 -26.13 28.8 Favored 'General case' 0 C--N 1.365 1.282 0 C-N-CA 128.222 2.609 . . . . 2.0099999999999998 111.469 177.15 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -74.76 -31.74 61.87 Favored 'General case' 0 C--N 1.369 1.439 0 C-N-CA 128.151 2.58 . . . . 1.1899999999999999 111.844 171.625 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -82.26 -25.78 33.77 Favored 'General case' 0 C--N 1.364 1.196 0 C-N-CA 127.776 2.43 . . . . 1.0700000000000001 113.384 176.524 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.3 t -85.08 -28.74 25.42 Favored 'General case' 0 C--N 1.357 0.918 0 C-N-CA 125.849 1.66 . . . . 1.03 112.562 176.342 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -76.11 -41.6 49.71 Favored 'General case' 0 C--N 1.362 1.116 0 C-N-CA 127.799 2.44 . . . . 2.3500000000000001 112.109 177.154 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.2 pt -98.62 -14.72 7.66 Favored 'Isoleucine or valine' 0 C--N 1.367 1.334 0 C-N-CA 124.287 1.035 . . . . 1.0700000000000001 112.007 -175.394 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 13.2 tpp180 93.32 52.18 0.0 OUTLIER 'General case' 0 C--N 1.376 1.727 0 C-N-CA 129.099 2.96 . . . . 3.6099999999999999 114.179 160.235 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 75.0 mt -127.51 -162.64 1.18 Allowed 'General case' 0 C--N 1.367 1.361 0 C-N-CA 124.675 1.19 . . . . 1.1200000000000001 111.293 -176.725 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 69.7 p -104.71 148.74 36.55 Favored Pre-proline 0 C--N 1.369 1.44 0 C-N-CA 128.38 2.672 . . . . 1.3600000000000001 109.013 176.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -61.85 -20.12 68.14 Favored 'Trans proline' 0 C--N 1.361 1.216 1 C-N-CA 126.252 4.634 . . . . 1.0 117.258 170.37 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.9 t -87.99 -29.87 20.43 Favored 'General case' 0 C--N 1.365 1.245 0 C-N-CA 126.372 1.869 . . . . 1.1299999999999999 111.215 -177.328 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -82.69 -32.46 28.07 Favored 'General case' 0 C--N 1.37 1.49 0 CA-C-N 119.576 1.08 . . . . 1.04 112.483 178.385 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 8.4 p -68.24 -41.95 84.26 Favored 'Isoleucine or valine' 0 C--N 1.38 1.93 0 C-N-CA 124.788 1.235 . . . . 1.0700000000000001 112.658 170.618 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.83 -46.25 78.17 Favored 'General case' 0 C--N 1.371 1.5 0 C-N-CA 126.998 2.119 . . . . 1.54 115.811 172.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.304 5.9 mt -86.89 -8.86 11.1 Favored 'Isoleucine or valine' 0 C--N 1.366 1.324 0 N-CA-C 115.403 1.631 . . . . 1.3200000000000001 115.403 -179.665 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 36.8 t90 -73.72 -40.77 63.33 Favored 'General case' 0 C--N 1.379 1.848 0 CA-C-N 120.124 1.329 . . . . 0.28000000000000003 111.346 165.411 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -83.15 -11.72 57.65 Favored 'General case' 0 C--N 1.365 1.271 0 C-N-CA 126.425 1.89 . . . . 0.46000000000000002 113.753 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -81.43 -40.27 23.63 Favored 'General case' 0 C--N 1.358 0.936 0 C-N-CA 127.441 2.296 . . . . 1.3400000000000001 112.026 171.704 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 48.6 m-20 -93.78 -27.29 16.56 Favored 'General case' 0 C--N 1.366 1.309 0 C-N-CA 125.743 1.617 . . . . 0.56000000000000005 114.085 -171.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -87.17 -5.28 59.04 Favored 'General case' 0 C--N 1.365 1.245 0 C-N-CA 125.096 1.358 . . . . 2.3900000000000001 114.048 -176.258 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -89.1 75.26 7.93 Favored 'General case' 0 C--N 1.376 1.733 0 C-N-CA 129.069 2.948 . . . . 3.79 106.433 151.083 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . 0.327 0.1 OUTLIER -145.75 -112.96 0.09 Allowed 'General case' 0 N--CA 1.434 -1.24 0 C-N-CA 131.163 3.785 . . . . 6.3799999999999999 111.314 31.46 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . 0.378 10.7 mptt 8.59 60.95 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.316 1 C-N-CA 136.075 5.75 . . . . 5.9000000000000004 115.938 -133.635 . . . . . . . . 3 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . 0.269 15.1 m -70.06 -35.15 74.03 Favored 'General case' 0 C--N 1.359 1.006 0 C-N-CA 130.919 3.688 . . . . 3.6800000000000002 117.458 -162.483 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 49.8 mmtm -91.13 53.92 2.47 Favored 'General case' 0 C--N 1.373 1.606 0 C-N-CA 127.328 2.251 . . . . 8.1699999999999999 111.779 173.17 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 41.1 ttp180 -147.78 -177.77 5.9 Favored 'General case' 0 C--N 1.357 0.9 0 N-CA-C 105.961 -1.866 . . . . 11.25 105.961 -173.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -100.07 104.07 15.62 Favored 'General case' 0 C--N 1.361 1.069 0 C-N-CA 127.029 2.132 . . . . 9.0999999999999996 106.923 166.432 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -95.08 95.45 8.59 Favored 'General case' 0 C--N 1.364 1.202 0 C-N-CA 125.851 1.66 . . . . 9.5800000000000001 108.3 179.737 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -132.92 63.07 1.64 Allowed 'General case' 0 N--CA 1.438 -1.069 0 C-N-CA 127.03 2.132 . . . . 12.300000000000001 107.294 -176.333 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -90.83 146.02 24.28 Favored 'General case' 0 C--N 1.364 1.224 0 N-CA-C 103.967 -2.605 . . . . 12.57 103.967 134.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . 0.256 13.3 ptmm? -64.56 114.93 4.7 Favored 'General case' 0 C--N 1.359 0.984 0 N-CA-C 117.854 2.539 . . . . 16.329999999999998 117.854 -148.685 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 81.44 54.07 3.63 Favored Glycine 0 C--N 1.36 1.904 0 C-N-CA 127.632 2.539 . . . . 15.41 113.961 172.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . 0.256 10.4 m-85 -108.78 -76.71 0.61 Allowed 'General case' 0 C--N 1.359 0.981 0 C-N-CA 125.694 1.598 . . . . 13.81 110.832 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -97.84 63.49 1.68 Allowed 'General case' 0 N--CA 1.446 -0.671 0 C-N-CA 128.469 2.707 . . . . 14.6 109.765 179.118 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 112.1 -127.81 8.25 Favored Glycine 0 C--N 1.361 1.917 0 C-N-CA 127.148 2.309 . . . . 15.93 109.201 179.216 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 71.3 m-70 -113.62 160.12 33.0 Favored Pre-proline 0 C--N 1.364 1.213 0 C-N-CA 126.888 2.075 . . . . 18.34 106.956 176.548 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo . . . . . 0 C--O 1.262 1.718 0 C-N-CA 123.993 3.129 . . . . 17.68 110.024 173.668 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.581 0.229 . . . . 17.23 110.921 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.0 p -147.24 -28.01 0.37 Allowed 'General case' 0 C--N 1.362 1.142 0 N-CA-C 107.782 -1.192 . . . . 16.870000000000001 107.782 -179.545 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 19.0 p30 -142.22 72.78 1.39 Allowed 'General case' 0 C--N 1.358 0.971 0 N-CA-C 106.022 -1.844 . . . . 17.010000000000002 106.022 -179.332 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.33 144.43 9.71 Favored Glycine 0 C--N 1.361 1.942 0 N-CA-C 108.346 -1.902 . . . . 15.789999999999999 108.346 -172.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 22.8 mt -126.04 165.14 29.13 Favored Pre-proline 0 C--N 1.362 1.117 0 N-CA-C 105.597 -2.001 . . . . 16.199999999999999 105.597 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -84.56 76.64 3.35 Favored 'Trans proline' 0 C--N 1.367 1.507 0 C-N-CA 123.738 2.959 . . . . 14.32 110.699 176.23 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -159.23 -69.44 0.08 Allowed 'General case' 0 N--CA 1.441 -0.904 0 N-CA-C 103.633 -2.729 . . . . 15.539999999999999 103.633 -178.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.3 pttm -148.51 145.06 27.74 Favored 'General case' 0 C--N 1.357 0.905 0 N-CA-C 106.897 -1.52 . . . . 17.23 106.897 -174.351 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -167.01 90.45 0.37 Allowed 'General case' 0 CA--C 1.504 -0.823 0 N-CA-C 103.953 -2.61 . . . . 14.380000000000001 103.953 179.483 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 72.91 85.7 0.11 Allowed 'General case' 0 C--N 1.368 1.372 0 C-N-CA 128.837 2.855 . . . . 13.85 113.369 176.292 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 87.8 mttt 74.79 32.94 0.81 Allowed 'General case' 0 C--N 1.366 1.294 0 C-N-CA 127.162 2.185 . . . . 13.210000000000001 113.527 174.043 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.535 ' HD2' HD23 ' A' ' 15' ' ' LEU . 0.1 OUTLIER 61.77 126.14 0.01 OUTLIER 'General case' 0 C--N 1.367 1.351 0 C-N-CA 131.087 3.755 . . . . 10.609999999999999 117.564 174.38 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 27.7 mmm180 -87.13 133.07 33.67 Favored 'General case' 0 C--N 1.368 1.377 0 C-N-CA 127.824 2.45 . . . . 8.1999999999999993 110.602 -179.23 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 32.8 m -77.7 121.03 29.48 Favored 'Isoleucine or valine' 0 C--N 1.363 1.184 0 CA-C-O 123.837 1.78 . . . . 4.3600000000000003 114.404 -80.248 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.535 HD23 ' HD2' ' A' ' 12' ' ' ARG . 3.3 mm? -136.53 150.24 48.53 Favored 'General case' 0 N--CA 1.431 -1.38 0 C-N-CA 129.744 3.218 . . . . 5.2400000000000002 102.401 176.58 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -105.9 91.07 3.58 Favored 'General case' 0 N--CA 1.435 -1.218 0 C-N-CA 127.161 2.184 . . . . 1.53 105.847 178.175 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 20.8 m -104.18 -172.32 2.09 Favored 'General case' 0 C--N 1.35 0.614 0 C-N-CA 128.305 2.642 . . . . 1.3100000000000001 108.591 -174.655 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.22 -0.38 24.97 Favored 'General case' 0 C--N 1.369 1.421 0 C-N-CA 127.112 2.165 . . . . 3.73 116.113 -170.673 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.32 -47.64 9.83 Favored 'General case' 0 C--N 1.361 1.09 0 C-N-CA 126.388 1.875 . . . . 1.1299999999999999 111.924 164.555 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 42.9 mm-40 -69.64 -45.52 68.26 Favored 'General case' 0 C--N 1.374 1.645 0 C-N-CA 128.365 2.666 . . . . 0.85999999999999999 112.719 -173.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 77.3 p -73.97 -30.31 62.44 Favored 'General case' 0 C--N 1.367 1.346 0 C-N-CA 126.943 2.097 . . . . 1.1200000000000001 112.32 -178.047 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 46.4 t80 -68.98 -47.56 65.3 Favored 'General case' 0 C--N 1.363 1.165 0 C-N-CA 127.498 2.319 . . . . 1.22 112.978 -179.33 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -73.66 -38.37 64.97 Favored 'General case' 0 C--N 1.359 0.986 0 N-CA-C 115.652 1.723 . . . . 1.0600000000000001 115.652 -179.452 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 94.4 mt -69.55 -42.01 75.16 Favored 'General case' 0 C--N 1.362 1.115 0 C-N-CA 126.077 1.751 . . . . 1.05 114.884 178.61 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 80.4 mt-10 -70.8 -32.12 69.1 Favored 'General case' 0 C--N 1.364 1.206 0 C-N-CA 127.24 2.216 . . . . 1.6599999999999999 114.903 174.724 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . 0.264 5.5 ptp180 -73.63 -41.64 62.5 Favored 'General case' 0 C--N 1.374 1.633 0 N-CA-C 115.234 1.568 . . . . 2.54 115.234 177.428 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.485 0.0 OUTLIER -86.07 1.9 48.61 Favored 'General case' 0 C--N 1.369 1.438 0 N-CA-C 115.732 1.753 . . . . 1.8899999999999999 115.732 170.455 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -83.16 -36.66 24.56 Favored 'General case' 0 C--N 1.368 1.389 0 C-N-CA 124.741 1.216 . . . . 0.82999999999999996 113.651 158.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 23.6 mmm-85 -86.87 -49.69 7.23 Favored 'General case' 0 C--N 1.369 1.429 0 C-N-CA 125.205 1.402 . . . . 4.5700000000000003 114.384 -171.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . 0.27 0.0 OUTLIER -93.94 9.64 36.65 Favored 'General case' 0 C--N 1.369 1.421 0 C-N-CA 125.773 1.629 . . . . 2.5299999999999998 113.15 -178.295 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -143.15 173.77 11.28 Favored 'General case' 0 C--N 1.361 1.107 0 N-CA-C 103.835 -2.654 . . . . 2.04 103.835 174.026 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.409 ' O ' HD12 ' A' ' 34' ' ' LEU . 10.8 mtp-105 -102.42 -76.85 0.57 Allowed 'General case' 0 C--N 1.362 1.148 0 N-CA-C 102.06 -3.311 . . . . 4.25 102.06 129.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . 2.299 4.3 m-85 55.19 67.76 0.97 Allowed 'General case' 0 C--N 1.368 1.395 0 C-N-CA 131.256 3.822 . . . . 5.9000000000000004 117.759 127.546 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.409 HD12 ' O ' ' A' ' 32' ' ' ARG 0.253 0.0 OUTLIER -162.54 119.59 2.0 Favored 'General case' 0 C--N 1.352 0.705 0 N-CA-C 106.822 -1.547 . . . . 1.23 106.822 173.483 . . . . . . . . 4 4 . 1 . 020 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 13.6 m -106.98 166.78 10.35 Favored 'General case' 0 C--N 1.375 1.68 0 C-N-CA 125.878 1.671 . . . . 2.04 106.952 -177.582 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -43.49 -37.16 2.58 Favored Pre-proline 0 C--N 1.368 1.404 0 N-CA-C 120.928 3.677 . . . . 1.23 120.928 -172.793 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -67.53 -33.84 27.66 Favored 'Trans proline' 0 C--N 1.363 1.299 0 C-N-CA 124.435 3.423 . . . . 1.03 115.394 175.087 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -101.3 -9.19 21.43 Favored 'General case' 0 C--N 1.364 1.21 0 C-N-CA 125.679 1.592 . . . . 1.7 114.478 176.721 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 35.7 ttt85 -88.89 -43.42 11.2 Favored 'General case' 0 C--N 1.366 1.318 0 C-N-CA 127.385 2.274 . . . . 3.04 111.857 -176.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -83.24 -19.69 35.94 Favored 'General case' 0 C--N 1.369 1.447 0 C-N-CA 126.524 1.93 . . . . 1.74 111.923 177.614 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 40.3 t-80 -84.76 -25.12 28.47 Favored 'General case' 0 C--N 1.367 1.334 0 C-N-CA 127.151 2.18 . . . . 2.0099999999999998 111.49 176.303 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -69.53 -33.91 73.49 Favored 'General case' 0 C--N 1.371 1.512 0 C-N-CA 128.047 2.539 . . . . 1.1899999999999999 112.188 166.635 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -74.19 -27.5 60.83 Favored 'General case' 0 C--N 1.362 1.15 0 C-N-CA 126.764 2.026 . . . . 1.0700000000000001 114.015 172.798 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 50.1 m -83.34 -28.28 29.12 Favored 'General case' 0 C--N 1.358 0.953 0 C-N-CA 125.305 1.442 . . . . 1.03 113.988 173.495 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -77.39 -38.9 48.9 Favored 'General case' 0 C--N 1.362 1.148 0 C-N-CA 127.912 2.485 . . . . 2.3500000000000001 112.147 179.554 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.6 pt -100.08 -18.29 6.39 Favored 'Isoleucine or valine' 0 C--N 1.366 1.288 0 C-N-CA 124.654 1.182 . . . . 1.0700000000000001 111.264 -175.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 17.6 tpt180 84.23 67.37 0.01 OUTLIER 'General case' 0 C--N 1.372 1.544 0 C-N-CA 129.131 2.972 . . . . 3.6099999999999999 113.626 169.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 93.3 mt -137.27 -160.47 1.06 Allowed 'General case' 0 C--N 1.354 0.788 0 N-CA-C 106.704 -1.591 . . . . 1.1200000000000001 106.704 173.004 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 77.1 p -107.67 145.84 32.14 Favored Pre-proline 0 C--N 1.364 1.221 0 C-N-CA 127.085 2.154 . . . . 1.3600000000000001 107.414 175.661 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_exo -61.35 -18.01 56.58 Favored 'Trans proline' 0 C--N 1.366 1.456 1 C-N-CA 125.984 4.456 . . . . 1.0 116.484 171.542 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.8 t -85.52 -29.88 23.87 Favored 'General case' 0 C--N 1.366 1.307 0 C-N-CA 127.723 2.409 . . . . 1.1299999999999999 111.253 -178.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . 0.25 9.1 pt20 -84.56 -31.45 24.35 Favored 'General case' 0 C--N 1.373 1.629 0 CA-C-N 119.505 1.048 . . . . 1.04 112.72 178.408 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 5.8 p -68.55 -33.68 61.26 Favored 'Isoleucine or valine' 0 C--N 1.379 1.872 0 C-N-CA 124.582 1.153 . . . . 1.0700000000000001 112.869 167.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.01 -55.18 25.53 Favored 'General case' 0 C--N 1.371 1.508 0 C-N-CA 128.083 2.553 . . . . 1.54 116.241 166.741 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.267 4.9 mt -82.6 -6.5 10.06 Favored 'Isoleucine or valine' 0 C--N 1.368 1.382 0 N-CA-C 114.551 1.315 . . . . 1.3200000000000001 114.551 179.429 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 25.5 t90 -76.38 -43.13 42.05 Favored 'General case' 0 C--N 1.376 1.753 0 C-N-CA 125.726 1.61 . . . . 0.28000000000000003 111.186 169.399 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -80.23 -14.12 58.68 Favored 'General case' 0 C--N 1.37 1.474 0 C-N-CA 126.591 1.956 . . . . 0.46000000000000002 112.691 178.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -78.92 -37.59 39.45 Favored 'General case' 0 C--N 1.36 1.061 0 C-N-CA 127.56 2.344 . . . . 1.3400000000000001 112.197 172.229 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 60.8 m-20 -90.65 -37.3 13.85 Favored 'General case' 0 C--N 1.366 1.286 0 C-N-CA 126.126 1.77 . . . . 0.56000000000000005 113.818 -174.094 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -78.11 -5.23 50.93 Favored 'General case' 0 C--N 1.365 1.241 0 C-N-CA 125.965 1.706 . . . . 2.3900000000000001 115.258 -171.065 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 11.6 ptm180 -86.25 51.81 2.32 Favored 'General case' 0 C--N 1.372 1.568 0 C-N-CA 129.855 3.262 . . . . 3.79 114.46 174.055 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -138.05 55.77 1.76 Allowed 'General case' 0 C--N 1.374 1.673 0 CA-C-N 120.406 1.457 . . . . 6.3799999999999999 111.827 -177.456 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 53.58 34.5 18.72 Favored 'General case' 0 N--CA 1.498 1.95 0 C-N-CA 127.223 2.209 . . . . 5.9000000000000004 115.449 176.402 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -81.14 -19.38 43.59 Favored 'General case' 0 C--N 1.369 1.417 0 C-N-CA 125.855 1.662 . . . . 3.6800000000000002 115.472 -151.327 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 11.2 mmpt? -75.32 -52.41 10.88 Favored 'General case' 0 C--N 1.37 1.492 0 C-N-CA 126.931 2.092 . . . . 8.1699999999999999 115.137 -166.077 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 8.4 ptp85 -147.97 -39.23 0.18 Allowed 'General case' 0 C--N 1.36 1.052 0 CA-C-N 118.107 0.412 . . . . 11.25 110.807 -165.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -100.13 93.22 5.6 Favored 'General case' 0 C--N 1.366 1.286 0 C-N-CA 124.291 1.036 . . . . 9.0999999999999996 109.959 -179.657 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . 2.281 16.8 pt20 -54.52 -74.08 0.04 OUTLIER 'General case' 0 C--N 1.357 0.928 0 C-N-CA 130.575 3.55 . . . . 9.5800000000000001 118.306 -173.558 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -123.47 53.12 1.36 Allowed 'General case' 0 CA--C 1.51 -0.592 0 C-N-CA 127.073 2.149 . . . . 12.300000000000001 109.093 -158.019 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . 0.507 9.2 pt-20 -52.25 -60.55 3.09 Favored 'General case' 0 N--CA 1.485 1.293 0 N-CA-C 118.478 2.769 . . . . 12.57 118.478 165.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.409 ' H ' ' HD2' ' A' ' 71' ' ' LYS . 0.0 OUTLIER -101.57 -177.09 3.33 Favored 'General case' 0 C--N 1.378 1.826 0 CA-C-N 122.035 2.198 . . . . 16.329999999999998 106.607 152.596 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -56.94 -39.82 89.66 Favored Glycine 0 C--N 1.359 1.817 1 C-N-CA 130.911 4.101 . . . . 15.41 116.873 -168.424 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . 2.53 0.0 OUTLIER 173.76 -120.38 0.0 OUTLIER 'General case' 0 N--CA 1.417 -2.086 0 N-CA-C 100.82 -3.77 . . . . 13.81 100.82 169.502 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -114.57 72.68 0.8 Allowed 'General case' 0 N--CA 1.438 -1.028 0 C-N-CA 131.344 3.858 . . . . 14.6 109.137 -169.611 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 113.64 -75.68 0.24 Allowed Glycine 0 C--N 1.356 1.673 0 N-CA-C 107.255 -2.338 . . . . 15.93 107.255 -174.548 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.42 ' H ' ' HD2' ' A' ' 77' ' ' PRO . 19.3 t-160 -148.45 -52.59 0.02 OUTLIER Pre-proline 0 C--N 1.356 0.869 0 CA-C-O 116.119 -1.896 . . . . 18.34 108.468 178.235 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.42 ' HD2' ' H ' ' A' ' 76' ' ' HIS . 39.9 Cg_endo . . . . . 0 C--O 1.261 1.645 0 CA-C-N 125.373 2.955 . . . . 17.68 109.994 172.532 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.726 0.298 . . . . 17.23 111.287 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.2 p -145.25 -48.89 0.24 Allowed 'General case' 0 C--N 1.36 1.056 0 N-CA-C 105.809 -1.923 . . . . 16.870000000000001 105.809 177.521 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -145.61 95.03 2.59 Favored 'General case' 0 C--N 1.358 0.976 0 N-CA-C 102.747 -3.057 . . . . 17.010000000000002 102.747 174.517 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.02 -136.87 2.62 Favored Glycine 0 C--N 1.357 1.725 0 N-CA-C 109.85 -1.3 . . . . 15.789999999999999 109.85 -173.841 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . 0.287 17.4 mt -104.99 -46.58 0.14 Allowed Pre-proline 0 C--N 1.364 1.225 0 CA-C-O 115.821 -2.038 . . . . 16.199999999999999 113.055 -173.898 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -85.49 77.68 2.65 Favored 'Trans proline' 0 C--N 1.366 1.485 0 CA-C-N 125.184 2.887 . . . . 14.32 110.621 -179.874 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -137.89 -50.8 0.6 Allowed 'General case' 0 C--N 1.358 0.975 0 N-CA-C 104.358 -2.46 . . . . 15.539999999999999 104.358 177.623 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -147.0 110.65 4.94 Favored 'General case' 0 C--N 1.358 0.975 0 N-CA-C 104.49 -2.411 . . . . 17.23 104.49 177.552 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -149.74 166.45 29.36 Favored 'General case' 0 C--N 1.356 0.883 0 N-CA-C 106.449 -1.686 . . . . 14.380000000000001 106.449 -178.166 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 70.0 mmt-85 -106.3 -154.43 0.52 Allowed 'General case' 0 C--N 1.364 1.209 0 C-N-CA 125.995 1.718 . . . . 13.85 109.232 -172.881 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.74 82.15 1.68 Allowed 'General case' 0 C--N 1.363 1.164 0 C-N-CA 126.398 1.879 . . . . 13.210000000000001 107.088 177.456 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.435 ' HD3' HH11 ' A' ' 13' ' ' ARG . 38.5 mmt180 -142.21 114.83 8.51 Favored 'General case' 0 N--CA 1.418 -2.038 0 C-N-CA 129.839 3.255 . . . . 10.609999999999999 104.943 -179.063 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.435 HH11 ' HD3' ' A' ' 12' ' ' ARG 1.905 27.9 mmm180 -44.75 -115.25 0.0 OUTLIER 'General case' 0 C--N 1.376 1.718 1 C-N-CA 138.506 6.722 . . . . 8.1999999999999993 120.946 -3.774 . . . . . . . . 4 3 . 1 . 021 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.0 m -102.83 139.32 24.09 Favored 'Isoleucine or valine' 0 C--N 1.355 0.833 0 C-N-CA 128.491 2.716 . . . . 4.3600000000000003 109.55 -177.907 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 mp -158.97 118.19 3.02 Favored 'General case' 0 C--N 1.357 0.902 0 N-CA-C 102.87 -3.011 . . . . 5.2400000000000002 102.87 169.226 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -105.75 95.01 5.5 Favored 'General case' 0 C--N 1.363 1.172 0 C-N-CA 127.641 2.376 . . . . 1.53 106.575 172.992 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 24.7 m -117.32 -167.07 1.25 Allowed 'General case' 0 C--N 1.349 0.573 0 C-N-CA 127.774 2.429 . . . . 1.3100000000000001 107.662 179.565 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.78 -9.04 58.26 Favored 'General case' 0 C--N 1.368 1.386 0 C-N-CA 127.157 2.183 . . . . 3.73 116.285 -170.105 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -82.64 -35.95 26.46 Favored 'General case' 0 C--N 1.365 1.25 0 C-N-CA 126.462 1.905 . . . . 1.1299999999999999 112.552 172.161 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 45.8 mm-40 -73.85 -45.88 48.38 Favored 'General case' 0 C--N 1.369 1.418 0 C-N-CA 128.832 2.853 . . . . 0.85999999999999999 111.757 -175.84 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 59.7 p -73.33 -29.95 63.01 Favored 'General case' 0 C--N 1.366 1.283 0 C-N-CA 126.509 1.924 . . . . 1.1200000000000001 112.469 179.592 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 63.7 t80 -63.49 -52.42 61.39 Favored 'General case' 0 C--N 1.367 1.347 0 C-N-CA 128.188 2.595 . . . . 1.22 113.332 176.64 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -73.01 -38.47 66.57 Favored 'General case' 0 C--N 1.362 1.145 0 N-CA-C 115.612 1.708 . . . . 1.0600000000000001 115.612 -177.676 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 88.1 mt -69.05 -42.94 75.63 Favored 'General case' 0 C--N 1.365 1.256 0 C-N-CA 126.492 1.917 . . . . 1.05 114.398 -179.585 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -70.6 -33.93 71.6 Favored 'General case' 0 C--N 1.362 1.11 0 C-N-CA 126.586 1.954 . . . . 1.6599999999999999 115.247 173.017 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . 0.256 2.7 ptp180 -75.07 -34.22 61.76 Favored 'General case' 0 C--N 1.372 1.559 0 N-CA-C 116.56 2.059 . . . . 2.54 116.56 -177.835 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.329 22.9 mmm-85 -75.64 -29.51 59.16 Favored 'General case' 0 C--N 1.371 1.515 0 CA-C-O 118.594 -0.717 . . . . 1.8899999999999999 112.785 166.23 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -70.01 -21.21 63.23 Favored 'General case' 0 C--N 1.376 1.746 0 C-N-CA 126.558 1.943 . . . . 0.82999999999999996 113.869 -175.192 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.2 mmm180 -70.34 -34.64 72.89 Favored 'General case' 0 C--N 1.366 1.324 0 C-N-CA 126.363 1.865 . . . . 4.5700000000000003 115.542 169.8 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -99.6 -31.04 11.79 Favored 'General case' 0 C--N 1.36 1.029 0 C-N-CA 126.058 1.743 . . . . 2.5299999999999998 113.995 -174.569 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -153.5 147.82 25.9 Favored 'General case' 0 C--N 1.364 1.215 0 CA-C-N 119.9 1.227 . . . . 2.04 107.87 -170.042 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 12.5 mtm105 -105.37 -38.38 6.51 Favored 'General case' 0 C--N 1.365 1.261 0 C-N-CA 125.761 1.624 . . . . 4.25 111.56 -176.088 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -104.77 134.08 48.51 Favored 'General case' 0 C--N 1.363 1.187 0 C-N-CA 124.774 1.23 . . . . 5.9000000000000004 111.81 -173.218 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . 2.041 0.7 OUTLIER -100.45 93.43 5.63 Favored 'General case' 0 C--N 1.361 1.088 0 C-N-CA 129.687 3.195 . . . . 1.23 111.072 -169.633 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.7 p -71.75 145.77 48.55 Favored 'General case' 0 C--N 1.379 1.851 0 CA-C-N 122.786 2.539 . . . . 2.04 111.616 172.175 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.12 -39.96 80.88 Favored Pre-proline 0 C--N 1.365 1.259 0 N-CA-C 119.962 3.319 . . . . 1.23 119.962 -161.972 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -68.23 -21.54 41.67 Favored 'Trans proline' 0 C--N 1.363 1.33 0 C-N-CA 124.554 3.503 . . . . 1.03 115.337 174.741 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -104.23 -15.78 15.39 Favored 'General case' 0 C--N 1.363 1.177 0 C-N-CA 125.955 1.702 . . . . 1.7 114.508 176.251 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.8 ttm105 -80.75 -46.13 15.96 Favored 'General case' 0 C--N 1.375 1.69 0 C-N-CA 126.867 2.067 . . . . 3.04 111.343 179.072 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -75.52 -28.01 58.94 Favored 'General case' 0 C--N 1.37 1.492 0 C-N-CA 128.667 2.787 . . . . 1.74 112.13 -178.213 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 46.2 t-80 -84.75 -26.26 27.73 Favored 'General case' 0 C--N 1.364 1.207 0 C-N-CA 127.849 2.46 . . . . 2.0099999999999998 111.755 -177.146 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -71.61 -34.91 70.26 Favored 'General case' 0 C--N 1.367 1.365 0 C-N-CA 127.982 2.513 . . . . 1.1899999999999999 112.292 170.679 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.59 -30.72 59.7 Favored 'General case' 0 C--N 1.365 1.262 0 C-N-CA 127.956 2.503 . . . . 1.0700000000000001 114.275 174.789 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 70.8 m -85.09 -26.95 26.62 Favored 'General case' 0 C--N 1.362 1.122 0 C-N-CA 125.952 1.701 . . . . 1.03 113.112 177.893 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 52.1 tp -74.04 -40.99 62.46 Favored 'General case' 0 C--N 1.363 1.157 0 C-N-CA 127.707 2.403 . . . . 2.3500000000000001 112.212 176.298 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.5 pt -101.19 -14.84 7.85 Favored 'Isoleucine or valine' 0 C--N 1.366 1.311 0 C-N-CA 123.759 0.823 . . . . 1.0700000000000001 112.828 -174.176 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 16.5 tpp180 86.75 51.42 0.01 OUTLIER 'General case' 0 C--N 1.369 1.441 0 C-N-CA 128.399 2.68 . . . . 3.6099999999999999 113.462 166.732 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 75.6 mt -129.1 -170.63 2.31 Favored 'General case' 0 C--N 1.362 1.138 0 C-N-CA 124.806 1.243 . . . . 1.1200000000000001 107.788 176.661 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 81.5 p -94.04 146.7 32.12 Favored Pre-proline 0 C--N 1.37 1.488 0 C-N-CA 126.614 1.966 . . . . 1.3600000000000001 108.988 178.631 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_exo -60.58 -21.03 67.34 Favored 'Trans proline' 0 C--N 1.363 1.296 1 C-N-CA 125.983 4.455 . . . . 1.0 116.963 172.315 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.9 t -87.53 -29.48 21.3 Favored 'General case' 0 C--N 1.366 1.3 0 C-N-CA 125.801 1.64 . . . . 1.1299999999999999 111.356 -177.193 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -82.6 -30.64 29.36 Favored 'General case' 0 C--N 1.372 1.571 0 CA-C-N 119.465 1.029 . . . . 1.04 112.593 178.098 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 8.0 p -70.16 -42.75 79.19 Favored 'Isoleucine or valine' 0 C--N 1.377 1.791 0 C-N-CA 125.319 1.448 . . . . 1.0700000000000001 112.692 172.798 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.46 -47.29 84.48 Favored 'General case' 0 C--N 1.374 1.639 0 C-N-CA 128.608 2.763 . . . . 1.54 113.255 175.761 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.295 6.5 mt -88.47 -5.63 10.54 Favored 'Isoleucine or valine' 0 C--N 1.365 1.282 0 N-CA-C 115.308 1.596 . . . . 1.3200000000000001 115.308 -179.924 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 53.6 t90 -72.24 -39.15 68.69 Favored 'General case' 0 C--N 1.38 1.914 0 C-N-CA 125.898 1.679 . . . . 0.28000000000000003 110.308 165.283 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -79.5 -34.36 41.34 Favored 'General case' 0 C--N 1.367 1.34 0 C-N-CA 125.624 1.569 . . . . 0.46000000000000002 113.645 178.026 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -65.59 -39.66 91.83 Favored 'General case' 0 C--N 1.356 0.87 0 C-N-CA 128.212 2.605 . . . . 1.3400000000000001 113.524 177.729 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -86.05 -10.3 55.22 Favored 'General case' 0 C--N 1.364 1.219 0 C-N-CA 127.115 2.166 . . . . 0.56000000000000005 112.942 169.589 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . 2.093 0.1 OUTLIER -67.76 -50.6 56.32 Favored 'General case' 0 C--N 1.361 1.097 0 C-N-CA 130.042 3.337 . . . . 2.3900000000000001 114.611 174.441 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . 0.369 0.3 OUTLIER -85.23 2.65 42.9 Favored 'General case' 0 C--N 1.376 1.745 0 N-CA-C 118.304 2.705 . . . . 3.79 118.304 -163.823 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.465 ' H ' ' HD1' ' A' ' 62' ' ' TYR 2.222 1.3 m-85 90.49 117.1 0.03 OUTLIER 'General case' 0 C--N 1.36 1.065 0 N-CA-C 118.48 2.77 . . . . 6.3799999999999999 118.48 116.004 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . 2.117 0.1 OUTLIER -1.81 9.77 0.0 OUTLIER 'General case' 0 N--CA 1.502 2.144 2 C-N-CA 134.313 5.045 . . . . 5.9000000000000004 124.592 101.669 . . . . . . . . 4 3 . 1 . 021 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . 2.162 71.9 p -44.69 17.51 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.536 1 C-N-CA 137.397 6.279 . . . . 3.6800000000000002 121.726 -165.748 . . . . . . . . 3 2 . 1 . 021 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.8 ptpp? -90.51 63.64 5.59 Favored 'General case' 0 C--N 1.36 1.035 0 C-N-CA 130.094 3.358 . . . . 8.1699999999999999 111.523 177.5 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 5.0 tmt_? -101.91 -48.57 4.22 Favored 'General case' 0 C--N 1.361 1.106 0 C-N-CA 127.12 2.168 . . . . 11.25 105.962 173.834 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . 0.304 . . -100.92 -107.03 0.23 Allowed 'General case' 0 C--N 1.365 1.244 0 N-CA-C 105.503 -2.036 . . . . 9.0999999999999996 105.503 157.765 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -105.43 129.98 53.62 Favored 'General case' 0 C--N 1.369 1.435 1 C-N-CA 137.869 6.468 . . . . 9.5800000000000001 101.831 -24.853 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . 0.34 0.6 OUTLIER -130.46 59.99 1.64 Allowed 'General case' 0 C--N 1.358 0.936 0 CA-C-O 123.935 1.826 . . . . 12.300000000000001 108.823 -174.292 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.6 mp0 -70.78 112.86 7.31 Favored 'General case' 0 C--N 1.367 1.351 0 C-N-CA 127.805 2.442 . . . . 12.57 110.141 148.583 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . 0.25 72.8 mmtt -52.06 115.1 1.54 Allowed 'General case' 0 C--N 1.356 0.868 0 N-CA-C 119.17 3.026 . . . . 16.329999999999998 119.17 -132.835 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 78.24 73.55 1.08 Allowed Glycine 0 C--N 1.357 1.74 1 C-N-CA 130.763 4.03 . . . . 15.41 114.381 173.284 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -138.41 -104.17 0.18 Allowed 'General case' 0 N--CA 1.441 -0.884 0 C-N-CA 126.901 2.081 . . . . 13.81 106.219 -176.692 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 24.9 pt-20 -113.32 75.24 0.91 Allowed 'General case' 0 N--CA 1.442 -0.827 0 C-N-CA 130.381 3.473 . . . . 14.6 108.077 -173.818 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -151.24 -95.11 0.12 Allowed Glycine 0 C--N 1.349 1.273 0 N-CA-C 106.209 -2.756 . . . . 15.93 106.209 -178.028 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 75.8 t60 -86.6 -39.48 0.54 Allowed Pre-proline 0 C--N 1.363 1.188 0 C-N-CA 126.236 1.814 . . . . 18.34 113.548 176.61 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo . . . . . 0 C--O 1.261 1.625 0 CA-C-N 124.866 2.774 . . . . 17.68 110.859 171.308 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.318 0 CA-C-O 120.618 0.247 . . . . 17.23 110.895 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.8 m -145.82 -32.57 0.36 Allowed 'General case' 0 C--N 1.364 1.213 0 N-CA-C 106.66 -1.607 . . . . 16.870000000000001 106.66 178.786 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -147.76 148.9 31.45 Favored 'General case' 0 C--N 1.359 0.981 0 N-CA-C 104.244 -2.502 . . . . 17.010000000000002 104.244 -176.223 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 119.12 -94.44 0.58 Allowed Glycine 0 C--N 1.364 2.132 0 N-CA-C 109.442 -1.463 . . . . 15.789999999999999 109.442 -177.929 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . 0.336 26.0 mt -85.68 -46.79 0.6 Allowed Pre-proline 0 C--N 1.371 1.521 0 CA-C-O 116.878 -1.534 . . . . 16.199999999999999 112.468 175.136 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -80.66 104.81 1.63 Allowed 'Trans proline' 0 C--N 1.362 1.259 0 C-N-CA 124.017 3.144 . . . . 14.32 110.255 165.941 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 31.7 p30 -106.25 57.84 0.65 Allowed 'General case' 0 C--N 1.361 1.075 0 C-N-CA 127.158 2.183 . . . . 15.539999999999999 110.361 -177.374 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.0 mptt -111.12 90.46 3.34 Favored 'General case' 0 C--N 1.363 1.178 0 C-N-CA 126.007 1.723 . . . . 17.23 106.775 -178.325 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 35.5 mmtp -124.96 76.34 1.52 Allowed 'General case' 0 C--N 1.362 1.127 0 N-CA-C 106.227 -1.768 . . . . 14.380000000000001 106.227 -179.127 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 30.9 ptt-85 -159.74 152.13 21.04 Favored 'General case' 0 C--N 1.357 0.924 0 N-CA-C 107.117 -1.438 . . . . 13.85 107.117 -177.926 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 29.9 pttt -140.22 -95.65 0.15 Allowed 'General case' 0 C--N 1.358 0.975 0 N-CA-C 104.632 -2.359 . . . . 13.210000000000001 104.632 177.916 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.483 HH11 HH11 ' A' ' 47' ' ' ARG . 22.5 ttp180 57.92 118.04 0.01 OUTLIER 'General case' 0 C--N 1.367 1.331 0 C-N-CA 130.256 3.422 . . . . 10.609999999999999 120.001 164.406 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 50.4 mmm-85 -96.61 135.77 38.07 Favored 'General case' 0 C--N 1.367 1.342 0 C-N-CA 126.212 1.805 . . . . 8.1999999999999993 106.614 167.596 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.7 m -132.7 126.62 54.8 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.173 0 C-N-CA 126.431 1.892 . . . . 4.3600000000000003 106.874 -155.723 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.1 mp -141.13 123.56 15.84 Favored 'General case' 0 N--CA 1.443 -0.79 0 CA-C-N 112.122 -2.308 . . . . 5.2400000000000002 105.11 -178.27 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 9.4 m-30 -90.49 140.31 29.86 Favored 'General case' 0 C--N 1.371 1.515 0 C-N-CA 126.982 2.113 . . . . 1.53 110.283 -177.953 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.8 m -112.13 -168.26 1.29 Allowed 'General case' 0 C--N 1.364 1.196 0 C-N-CA 127.159 2.184 . . . . 1.3100000000000001 107.29 173.828 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.12 11.92 8.82 Favored 'General case' 0 C--N 1.368 1.405 0 C-N-CA 126.645 1.978 . . . . 3.73 115.027 -173.457 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.22 -40.76 16.29 Favored 'General case' 0 C--N 1.362 1.113 0 C-N-CA 126.495 1.918 . . . . 1.1299999999999999 112.577 160.904 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 42.5 mm-40 -77.57 -54.16 6.73 Favored 'General case' 0 C--N 1.369 1.427 0 C-N-CA 129.046 2.938 . . . . 0.85999999999999999 111.675 -167.852 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 74.1 p -64.96 -40.51 95.12 Favored 'General case' 0 C--N 1.37 1.466 0 C-N-CA 128.539 2.736 . . . . 1.1200000000000001 111.821 178.941 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 43.7 t80 -54.96 -56.46 19.38 Favored 'General case' 0 C--N 1.367 1.34 0 C-N-CA 128.587 2.755 . . . . 1.22 113.785 175.167 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -65.39 -40.14 93.11 Favored 'General case' 0 C--N 1.368 1.404 0 C-N-CA 126.592 1.957 . . . . 1.0600000000000001 115.495 -176.475 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 97.5 mt -66.06 -38.94 89.59 Favored 'General case' 0 C--N 1.365 1.252 0 N-CA-C 115.717 1.747 . . . . 1.05 115.717 178.913 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -76.55 -28.05 56.13 Favored 'General case' 0 C--N 1.36 1.044 0 C-N-CA 127.431 2.293 . . . . 1.6599999999999999 114.825 176.426 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . 0.264 12.7 mtm180 -67.78 -52.52 36.27 Favored 'General case' 0 C--N 1.376 1.741 0 C-N-CA 124.033 0.933 . . . . 2.54 112.31 176.723 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.554 HH22 HD23 ' A' ' 42' ' ' LEU 0.584 0.2 OUTLIER -85.52 -5.67 59.26 Favored 'General case' 0 C--N 1.38 1.927 0 N-CA-C 113.458 0.911 . . . . 1.8899999999999999 113.458 -173.484 . . . . . . . . 4 4 . 1 . 022 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -74.09 -30.99 62.62 Favored 'General case' 0 C--N 1.376 1.725 0 C-N-CA 127.109 2.164 . . . . 0.82999999999999996 113.725 161.972 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.4 mmt-85 -74.44 -30.52 61.93 Favored 'General case' 0 C--N 1.369 1.448 0 C-N-CA 125.939 1.696 . . . . 4.5700000000000003 114.361 169.139 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 66.6 tp60 -93.7 -24.47 17.84 Favored 'General case' 0 C--N 1.364 1.23 0 C-N-CA 127.1 2.16 . . . . 2.5299999999999998 112.903 -175.276 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 41.8 mm-40 -138.77 171.11 14.82 Favored 'General case' 0 C--N 1.366 1.311 0 N-CA-C 107.22 -1.4 . . . . 2.04 107.22 -174.221 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 79.0 mtt-85 -107.18 -41.67 5.07 Favored 'General case' 0 C--N 1.36 1.044 0 C-N-CA 125.929 1.692 . . . . 4.25 110.547 162.197 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 49.9 p90 -136.03 150.69 49.29 Favored 'General case' 0 C--N 1.359 1.015 0 C-N-CA 127.478 2.311 . . . . 5.9000000000000004 106.531 -163.37 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -157.58 121.19 4.1 Favored 'General case' 0 C--N 1.356 0.85 0 N-CA-C 106.135 -1.802 . . . . 1.23 106.135 -168.508 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.4 p -94.32 163.31 13.48 Favored 'General case' 0 C--N 1.367 1.361 0 C-N-CA 127.577 2.351 . . . . 2.04 110.2 -173.839 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -43.45 -38.41 3.72 Favored Pre-proline 0 C--N 1.367 1.34 0 N-CA-C 121.34 3.83 . . . . 1.23 121.34 -168.532 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -69.55 -34.36 15.46 Favored 'Trans proline' 0 C--N 1.36 1.158 0 CA-C-N 125.691 3.068 . . . . 1.03 114.92 -179.825 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -93.56 -33.56 13.69 Favored 'General case' 0 C--N 1.366 1.32 0 C-N-CA 125.921 1.689 . . . . 1.7 113.542 176.402 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 41.4 ttt180 -63.26 -43.32 98.29 Favored 'General case' 0 C--N 1.369 1.43 0 C-N-CA 128.814 2.846 . . . . 3.04 114.93 -179.835 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 -84.6 -19.66 32.67 Favored 'General case' 0 C--N 1.359 1.003 0 C-N-CA 128.136 2.574 . . . . 1.74 112.165 -177.945 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 56.7 t-80 -77.83 -24.95 48.51 Favored 'General case' 0 C--N 1.367 1.361 0 C-N-CA 128.364 2.665 . . . . 2.0099999999999998 112.411 174.39 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.554 HD23 HH22 ' A' ' 27' ' ' ARG . 0.6 OUTLIER -68.36 -55.79 10.78 Favored 'General case' 0 C--N 1.369 1.421 0 C-N-CA 129.672 3.189 . . . . 1.1899999999999999 110.891 172.441 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.53 -28.59 70.05 Favored 'General case' 0 C--N 1.356 0.852 0 C-N-CA 129.565 3.146 . . . . 1.0700000000000001 116.323 178.183 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 66.1 m -85.18 -38.03 19.47 Favored 'General case' 0 C--N 1.362 1.123 0 C-N-CA 125.511 1.524 . . . . 1.03 114.024 177.769 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 83.9 mt -84.8 -21.85 29.77 Favored 'General case' 0 C--N 1.361 1.091 0 C-N-CA 125.241 1.417 . . . . 2.3500000000000001 113.737 179.284 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -97.93 -20.23 5.68 Favored 'Isoleucine or valine' 0 C--N 1.367 1.339 0 C-N-CA 124.672 1.189 . . . . 1.0700000000000001 110.623 176.689 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.483 HH11 HH11 ' A' ' 12' ' ' ARG . 0.3 OUTLIER 82.27 61.66 0.02 OUTLIER 'General case' 0 C--N 1.371 1.543 0 C-N-CA 129.275 3.03 . . . . 3.6099999999999999 112.689 165.909 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 93.2 mt -135.93 -170.45 2.64 Favored 'General case' 0 C--N 1.359 0.979 0 C-N-CA 124.895 1.278 . . . . 1.1200000000000001 108.56 176.926 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 63.3 p -96.42 148.54 34.63 Favored Pre-proline 0 C--N 1.37 1.491 0 C-N-CA 127.039 2.136 . . . . 1.3600000000000001 109.556 -178.095 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_exo -61.89 -21.96 73.34 Favored 'Trans proline' 0 C--N 1.367 1.511 1 C-N-CA 126.13 4.553 . . . . 1.0 116.09 171.983 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.3 t -86.37 -29.1 23.2 Favored 'General case' 0 C--N 1.365 1.282 0 C-N-CA 126.247 1.819 . . . . 1.1299999999999999 111.176 -177.19 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -81.95 -31.35 31.29 Favored 'General case' 0 C--N 1.373 1.591 0 CA-C-N 119.393 0.997 . . . . 1.04 112.818 177.622 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 9.0 p -68.5 -43.04 84.05 Favored 'Isoleucine or valine' 0 C--N 1.376 1.747 0 C-N-CA 125.037 1.335 . . . . 1.0700000000000001 112.968 172.26 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.42 -37.07 82.48 Favored 'General case' 0 C--N 1.378 1.825 0 C-N-CA 125.046 1.338 . . . . 1.54 114.046 177.52 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.301 6.9 mt -88.21 -5.96 10.59 Favored 'Isoleucine or valine' 0 C--N 1.372 1.581 0 N-CA-C 114.822 1.415 . . . . 1.3200000000000001 114.822 176.588 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 49.7 t90 -75.37 -41.47 56.37 Favored 'General case' 0 C--N 1.379 1.877 0 C-N-CA 125.469 1.507 . . . . 0.28000000000000003 110.781 166.065 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -78.0 -17.5 57.05 Favored 'General case' 0 C--N 1.368 1.401 0 C-N-CA 125.053 1.341 . . . . 0.46000000000000002 113.751 177.686 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 20.7 tt0 -76.76 -38.45 54.09 Favored 'General case' 0 C--N 1.363 1.158 0 C-N-CA 127.428 2.291 . . . . 1.3400000000000001 112.398 172.986 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 62.3 m-20 -91.98 -30.3 16.15 Favored 'General case' 0 C--N 1.365 1.261 0 C-N-CA 125.77 1.628 . . . . 0.56000000000000005 113.856 -173.226 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -90.27 32.78 0.91 Allowed 'General case' 0 C--N 1.364 1.205 0 C-N-CA 125.288 1.435 . . . . 2.3900000000000001 114.338 -172.606 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . 2.391 0.1 OUTLIER -33.2 -38.84 0.04 OUTLIER 'General case' 0 C--N 1.379 1.886 1 C-N-CA 132.167 4.187 . . . . 3.79 118.447 177.426 . . . . . . . . 4 3 . 1 . 022 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . 2.343 33.8 m-85 92.36 -42.97 0.01 OUTLIER 'General case' 0 C--N 1.372 1.582 0 N-CA-C 115.458 1.651 . . . . 6.3799999999999999 115.458 148.817 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . 0.362 0.1 OUTLIER 42.97 33.14 0.48 Allowed 'General case' 0 N--CA 1.496 1.844 0 C-N-CA 129.487 3.115 . . . . 5.9000000000000004 116.899 -163.323 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . 2.137 0.5 OUTLIER -91.36 -40.3 11.54 Favored 'General case' 0 C--N 1.363 1.175 0 C-N-CA 129.184 2.994 . . . . 3.6800000000000002 111.562 -160.749 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -90.03 25.68 2.07 Favored 'General case' 0 C--N 1.369 1.414 0 C-N-CA 127.271 2.229 . . . . 8.1699999999999999 112.719 -174.119 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.8 ppt_? -140.71 128.13 21.26 Favored 'General case' 0 C--N 1.358 0.952 0 N-CA-C 102.811 -3.033 . . . . 11.25 102.811 166.028 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -100.49 95.72 6.91 Favored 'General case' 0 C--N 1.361 1.1 0 C-N-CA 126.621 1.968 . . . . 9.0999999999999996 110.233 -164.753 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.95 17.87 22.97 Favored 'General case' 0 C--N 1.357 0.928 0 C-N-CA 127.647 2.379 . . . . 9.5800000000000001 115.731 -170.271 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . 2.277 0.1 OUTLIER -65.97 -42.1 90.32 Favored 'General case' 0 CA--C 1.482 -1.638 1 C-N-CA 133.819 4.848 . . . . 12.300000000000001 117.017 -175.748 . . . . . . . . 4 3 . 1 . 022 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . 1.667 10.1 pt-20 -44.52 -71.21 0.08 Allowed 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 120.029 3.344 . . . . 12.57 120.029 -94.165 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.9 114.28 20.79 Favored 'General case' 0 N--CA 1.442 -0.873 0 C-N-CA 124.982 1.313 . . . . 16.329999999999998 111.039 170.206 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 72.72 74.68 0.76 Allowed Glycine 0 C--N 1.357 1.74 0 C-N-CA 129.351 3.358 . . . . 15.41 114.635 169.341 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . 0.278 3.9 p90 -71.37 -64.52 0.9 Allowed 'General case' 0 C--N 1.357 0.921 0 C-N-CA 127.778 2.431 . . . . 13.81 114.504 -177.94 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . 2.492 22.8 pt-20 167.45 -91.3 0.0 OUTLIER 'General case' 0 N--CA 1.433 -1.276 0 C-N-CA 130.122 3.369 . . . . 14.6 102.657 161.55 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 102.83 -71.75 0.3 Allowed Glycine 0 C--N 1.359 1.825 0 C-N-CA 126.573 2.035 . . . . 15.93 109.279 -178.077 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 43.0 p-80 -109.03 162.88 18.43 Favored Pre-proline 0 C--N 1.361 1.081 0 C-N-CA 127.521 2.329 . . . . 18.34 107.58 176.79 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_exo . . . . . 0 C--O 1.262 1.676 0 C-N-CA 123.632 2.888 . . . . 17.68 111.192 173.622 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.273 0 CA-C-O 120.703 0.287 . . . . 17.23 110.229 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.3 p -151.27 26.01 0.7 Allowed 'General case' 0 C--N 1.358 0.943 0 N-CA-C 106.912 -1.514 . . . . 16.870000000000001 106.912 -178.833 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -119.36 100.42 7.29 Favored 'General case' 0 C--N 1.372 1.565 0 C-N-CA 124.507 1.123 . . . . 17.010000000000002 108.282 -172.062 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 119.16 -107.23 1.35 Allowed Glycine 0 C--N 1.363 2.078 0 N-CA-C 108.265 -1.934 . . . . 15.789999999999999 108.265 174.427 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -145.98 66.45 11.61 Favored Pre-proline 0 C--N 1.358 0.961 0 C-N-CA 124.576 1.15 . . . . 16.199999999999999 108.675 173.738 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -88.97 154.08 5.85 Favored 'Trans proline' 0 C--N 1.365 1.404 0 C-N-CA 123.289 2.659 . . . . 14.32 110.31 -176.24 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 6.8 p-10 -95.81 3.52 53.66 Favored 'General case' 0 C--N 1.365 1.26 0 C-N-CA 125.944 1.698 . . . . 15.539999999999999 112.596 -179.869 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.1 pttm -104.83 120.93 42.59 Favored 'General case' 0 C--N 1.365 1.272 0 C-N-CA 127.761 2.424 . . . . 17.23 106.833 176.58 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . 0.258 51.5 mtmt 77.71 38.79 0.19 Allowed 'General case' 0 C--N 1.366 1.306 0 C-N-CA 128.901 2.88 . . . . 14.380000000000001 111.465 -171.488 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -144.51 67.56 1.26 Allowed 'General case' 0 C--N 1.357 0.913 0 N-CA-C 104.205 -2.517 . . . . 13.85 104.205 -178.873 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.446 ' H ' ' H ' ' A' ' 12' ' ' ARG . 53.3 mtpt -148.59 -26.47 0.32 Allowed 'General case' 0 C--N 1.355 0.842 0 N-CA-C 105.768 -1.938 . . . . 13.210000000000001 105.768 175.957 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.446 ' H ' ' H ' ' A' ' 11' ' ' LYS 2.226 1.0 OUTLIER -32.28 -68.1 0.1 Allowed 'General case' 0 C--N 1.374 1.633 1 C-N-CA 132.582 4.353 . . . . 10.609999999999999 119.738 -177.901 . . . . . . . . 5 4 . 1 . 023 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -77.13 156.54 31.57 Favored 'General case' 0 C--N 1.369 1.423 0 C-N-CA 127.88 2.472 . . . . 8.1999999999999993 113.681 -171.609 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.0 m -107.68 136.53 42.68 Favored 'Isoleucine or valine' 0 C--N 1.358 0.978 0 C-N-CA 125.532 1.533 . . . . 4.3600000000000003 109.936 -158.36 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.2 mp -150.78 117.36 5.76 Favored 'General case' 0 N--CA 1.442 -0.839 0 N-CA-C 103.706 -2.701 . . . . 5.2400000000000002 103.706 174.806 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -106.05 90.4 3.36 Favored 'General case' 0 C--N 1.365 1.266 0 C-N-CA 127.314 2.246 . . . . 1.53 107.107 170.968 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 24.3 m -114.34 -167.63 1.25 Allowed 'General case' 0 C--N 1.348 0.513 0 C-N-CA 128.932 2.893 . . . . 1.3100000000000001 107.998 -179.306 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.76 -4.25 48.4 Favored 'General case' 0 C--N 1.369 1.414 0 C-N-CA 127.245 2.218 . . . . 3.73 115.705 -172.591 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -79.31 -40.71 29.73 Favored 'General case' 0 C--N 1.366 1.283 0 C-N-CA 126.929 2.092 . . . . 1.1299999999999999 112.14 168.769 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 -73.99 -49.13 25.82 Favored 'General case' 0 C--N 1.365 1.258 0 C-N-CA 129.388 3.075 . . . . 0.85999999999999999 113.075 -172.472 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 66.9 p -73.28 -29.13 62.52 Favored 'General case' 0 C--N 1.364 1.221 0 C-N-CA 126.182 1.793 . . . . 1.1200000000000001 112.52 -178.061 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -65.69 -53.05 46.34 Favored 'General case' 0 C--N 1.369 1.454 0 C-N-CA 128.47 2.708 . . . . 1.22 112.945 176.423 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -72.47 -36.18 68.4 Favored 'General case' 0 C--N 1.361 1.098 0 C-N-CA 125.973 1.709 . . . . 1.0600000000000001 115.287 -176.632 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 90.3 mt -71.17 -41.3 70.55 Favored 'General case' 0 C--N 1.361 1.073 0 C-N-CA 126.873 2.069 . . . . 1.05 114.61 178.85 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -71.74 -31.35 66.59 Favored 'General case' 0 C--N 1.362 1.126 0 C-N-CA 125.893 1.677 . . . . 1.6599999999999999 115.455 172.418 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.1 ptm180 -78.52 -29.38 46.5 Favored 'General case' 0 C--N 1.371 1.539 0 N-CA-C 115.267 1.58 . . . . 2.54 115.267 -176.938 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.258 36.1 mmm-85 -78.74 -26.28 44.62 Favored 'General case' 0 C--N 1.369 1.455 0 CA-C-O 118.384 -0.817 . . . . 1.8899999999999999 112.724 164.057 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -71.23 -19.84 62.32 Favored 'General case' 0 C--N 1.376 1.747 0 CA-C-N 120.641 1.564 . . . . 0.82999999999999996 114.164 178.365 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 19.8 mmm-85 -74.16 -44.61 52.9 Favored 'General case' 0 C--N 1.366 1.297 0 C-N-CA 126.685 1.994 . . . . 4.5700000000000003 113.923 173.951 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 63.9 tp60 -93.25 -22.42 19.02 Favored 'General case' 0 N--CA 1.435 -1.188 0 C-N-CA 128.063 2.545 . . . . 2.5299999999999998 112.748 -173.054 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -156.16 170.49 22.1 Favored 'General case' 0 C--N 1.365 1.276 0 O-C-N 121.174 -0.954 . . . . 2.04 109.573 178.516 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.546 ' HG3' HH11 ' A' ' 32' ' ' ARG . 8.2 mtm-85 -105.84 -34.27 7.71 Favored 'General case' 0 C--N 1.363 1.185 0 C-N-CA 127.287 2.235 . . . . 4.25 109.06 175.251 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -134.03 142.84 47.75 Favored 'General case' 0 C--N 1.357 0.893 0 C-N-CA 127.099 2.16 . . . . 5.9000000000000004 105.808 -173.862 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.584 HD22 ' HB2' ' A' ' 39' ' ' ARG 0.295 0.0 OUTLIER -106.28 -106.1 0.32 Allowed 'General case' 0 CA--C 1.555 1.151 0 N-CA-C 102.925 -2.991 . . . . 1.23 102.925 -163.234 . . . . . . . . 4 4 . 1 . 023 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . 2.407 13.1 m -156.09 -159.55 0.91 Allowed 'General case' 0 C--N 1.376 1.718 0 N-CA-C 101.677 -3.453 . . . . 2.04 101.677 140.895 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . 0.27 . . -76.18 -53.85 2.12 Favored Pre-proline 0 C--N 1.365 1.265 0 CA-C-O 116.276 -1.821 . . . . 1.23 115.631 -177.667 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -72.76 -10.26 24.77 Favored 'Trans proline' 0 C--N 1.364 1.393 0 C-N-CA 123.83 3.02 . . . . 1.03 115.312 -178.943 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -99.29 -22.47 15.58 Favored 'General case' 0 C--N 1.361 1.065 0 C-N-CA 127.259 2.224 . . . . 1.7 113.539 179.5 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.584 ' HB2' HD22 ' A' ' 34' ' ' LEU . 3.2 tmm_? -83.75 -30.12 26.92 Favored 'General case' 0 C--N 1.378 1.822 0 CA-C-N 120.827 1.649 . . . . 3.04 111.157 171.5 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -81.88 -23.02 36.56 Favored 'General case' 0 C--N 1.375 1.696 0 C-N-CA 124.397 1.079 . . . . 1.74 112.447 178.281 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 46.0 t-80 -85.06 -26.54 26.92 Favored 'General case' 0 C--N 1.364 1.214 0 C-N-CA 127.7 2.4 . . . . 2.0099999999999998 111.818 178.017 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -75.59 -26.76 58.15 Favored 'General case' 0 C--N 1.366 1.318 0 C-N-CA 128.568 2.747 . . . . 1.1899999999999999 111.712 170.894 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -80.75 -31.27 35.97 Favored 'General case' 0 C--N 1.366 1.291 0 C-N-CA 126.995 2.118 . . . . 1.0700000000000001 112.822 175.758 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 55.5 m -80.69 -25.65 38.05 Favored 'General case' 0 C--N 1.361 1.105 0 C-N-CA 125.733 1.613 . . . . 1.03 113.6 173.836 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 5.9 tt -75.06 -39.33 60.95 Favored 'General case' 0 C--N 1.362 1.142 0 C-N-CA 128.008 2.523 . . . . 2.3500000000000001 112.434 175.357 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.8 pt -101.71 -14.76 7.97 Favored 'Isoleucine or valine' 0 C--N 1.367 1.369 0 C-N-CA 124.244 1.018 . . . . 1.0700000000000001 112.83 -172.809 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 9.3 tpt180 89.5 33.96 0.02 OUTLIER 'General case' 0 C--N 1.37 1.482 0 C-N-CA 129.463 3.105 . . . . 3.6099999999999999 112.318 165.408 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -118.28 178.36 4.47 Favored 'General case' 0 C--N 1.357 0.906 0 C-N-CA 127.492 2.317 . . . . 1.1200000000000001 107.678 -174.162 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.413 HG22 ' H ' ' A' ' 51' ' ' THR . 81.1 p -93.11 143.15 26.31 Favored Pre-proline 0 C--N 1.364 1.212 0 C-N-CA 126.35 1.86 . . . . 1.3600000000000001 109.526 179.886 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_exo -60.98 -18.02 55.08 Favored 'Trans proline' 0 C--N 1.368 1.595 1 C-N-CA 126.26 4.64 . . . . 1.0 116.57 172.457 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.413 ' H ' HG22 ' A' ' 49' ' ' THR . 14.0 t -86.05 -31.48 21.94 Favored 'General case' 0 C--N 1.366 1.288 0 C-N-CA 127.234 2.214 . . . . 1.1299999999999999 111.11 -178.758 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -80.8 -34.76 33.82 Favored 'General case' 0 C--N 1.371 1.535 0 O-C-N 121.014 -1.054 . . . . 1.04 112.163 178.646 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 6.4 p -70.71 -36.32 64.53 Favored 'Isoleucine or valine' 0 C--N 1.378 1.82 0 C-N-CA 125.497 1.519 . . . . 1.0700000000000001 112.707 173.766 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.04 -49.31 76.2 Favored 'General case' 0 C--N 1.369 1.451 0 C-N-CA 128.274 2.63 . . . . 1.54 113.675 170.316 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.286 5.2 mt -83.4 -7.61 10.92 Favored 'Isoleucine or valine' 0 C--N 1.368 1.403 0 N-CA-C 115.407 1.632 . . . . 1.3200000000000001 115.407 178.847 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 23.1 t90 -75.11 -42.11 57.19 Favored 'General case' 0 C--N 1.377 1.779 0 C-N-CA 125.802 1.641 . . . . 0.28000000000000003 110.976 168.728 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -85.0 -12.49 53.11 Favored 'General case' 0 C--N 1.368 1.373 0 C-N-CA 126.699 2.0 . . . . 0.46000000000000002 113.261 179.704 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 20.7 tt0 -78.16 -40.23 38.55 Favored 'General case' 0 C--N 1.36 1.045 0 C-N-CA 127.311 2.244 . . . . 1.3400000000000001 112.219 173.406 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 70.8 m-20 -87.65 -25.21 23.64 Favored 'General case' 0 C--N 1.368 1.382 0 C-N-CA 125.78 1.632 . . . . 0.56000000000000005 113.675 -175.263 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 6.4 m80 -75.83 -34.72 60.12 Favored 'General case' 0 C--N 1.363 1.191 0 N-CA-C 115.909 1.818 . . . . 2.3900000000000001 115.909 -178.419 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 17.3 ptm180 -85.95 45.49 1.22 Allowed 'General case' 0 C--N 1.363 1.166 0 C-N-CA 126.109 1.764 . . . . 3.79 115.525 -176.581 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.421 ' HB2' ' H ' ' A' ' 63' ' ' LYS 2.449 0.1 OUTLIER 164.7 109.95 0.0 OUTLIER 'General case' 0 C--N 1.364 1.218 0 N-CA-C 105.457 -2.053 . . . . 6.3799999999999999 105.457 146.939 . . . . . . . . 4 4 . 1 . 023 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.421 ' H ' ' HB2' ' A' ' 62' ' ' TYR . 0.8 OUTLIER 101.42 70.05 0.0 OUTLIER 'General case' 0 C--N 1.357 0.9 1 C-N-CA 132.391 4.277 . . . . 5.9000000000000004 103.622 -177.323 . . . . . . . . 4 4 . 1 . 023 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . 0.257 3.1 m -93.38 -32.87 14.09 Favored 'General case' 0 C--N 1.368 1.375 0 C-N-CA 125.419 1.488 . . . . 3.6800000000000002 112.583 -160.2 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.56 62.66 4.58 Favored 'General case' 0 C--N 1.372 1.561 0 C-N-CA 128.344 2.658 . . . . 8.1699999999999999 110.145 167.39 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.5 tpp85 -137.1 48.94 2.05 Favored 'General case' 0 C--N 1.36 1.051 0 N-CA-C 107.535 -1.283 . . . . 11.25 107.535 -174.647 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -100.6 -23.26 14.71 Favored 'General case' 0 C--N 1.361 1.086 0 C-N-CA 127.209 2.204 . . . . 9.0999999999999996 110.012 173.457 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . 2.298 5.8 pt20 -63.37 -31.09 72.15 Favored 'General case' 0 C--N 1.374 1.637 0 C-N-CA 130.728 3.611 . . . . 9.5800000000000001 115.097 172.747 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.459 HD21 ' HD2' ' A' ' 73' ' ' TYR . 0.8 OUTLIER -135.07 74.54 1.52 Allowed 'General case' 0 N--CA 1.432 -1.332 0 C-N-CA 128.716 2.806 . . . . 12.300000000000001 104.904 179.653 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -95.92 133.4 40.15 Favored 'General case' 0 N--CA 1.436 -1.144 0 CA-C-N 110.82 -2.9 . . . . 12.57 105.068 149.941 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.45 120.43 4.12 Favored 'General case' 0 C--N 1.358 0.977 0 C-N-CA 130.437 3.495 . . . . 16.329999999999998 115.671 -162.735 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 164.57 -94.2 0.11 Allowed Glycine 0 N--CA 1.426 -1.98 0 N-CA-C 104.814 -3.315 . . . . 15.41 104.814 -148.213 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.459 ' HD2' HD21 ' A' ' 69' ' ' ASN 2.621 0.0 OUTLIER 169.37 -3.67 0.0 OUTLIER 'General case' 0 C--N 1.365 1.246 0 N-CA-C 121.429 3.862 . . . . 13.81 121.429 158.6 . . . . . . . . 4 4 . 1 . 023 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 58.1 mm-40 -110.71 70.46 0.72 Allowed 'General case' 0 C--N 1.352 0.687 0 CA-C-N 122.709 2.504 . . . . 14.6 110.43 -156.912 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -167.94 96.21 0.12 Allowed Glycine 0 C--N 1.352 1.423 0 N-CA-C 107.731 -2.148 . . . . 15.93 107.731 176.334 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 59.6 t-80 -115.91 137.79 23.57 Favored Pre-proline 0 C--N 1.361 1.077 0 N-CA-C 106.657 -1.609 . . . . 18.34 106.657 179.329 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo . . . . . 0 C--O 1.261 1.669 0 C-N-CA 123.844 3.03 . . . . 17.68 109.347 176.535 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 112.288 0.477 . . . . 17.23 112.288 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.4 p -158.5 19.95 0.22 Allowed 'General case' 0 C--N 1.363 1.164 0 C-N-CA 123.837 0.855 . . . . 16.870000000000001 109.379 -175.202 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -127.32 67.9 1.29 Allowed 'General case' 0 C--N 1.367 1.36 0 N-CA-C 106.38 -1.711 . . . . 17.010000000000002 106.38 177.022 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.68 126.4 2.67 Favored Glycine 0 C--N 1.362 2.02 0 C-N-CA 126.81 2.148 . . . . 15.789999999999999 112.6 -178.766 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -164.6 86.88 1.1 Allowed Pre-proline 0 C--N 1.363 1.152 0 N-CA-C 105.877 -1.897 . . . . 16.199999999999999 105.877 179.585 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -79.44 149.39 82.58 Favored 'Cis proline' 0 C--N 1.361 1.199 0 CA-C-N 122.071 1.775 . . . . 14.32 111.561 7.232 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 43.1 t30 -101.08 40.18 1.31 Allowed 'General case' 0 C--N 1.366 1.309 0 C-N-CA 126.443 1.897 . . . . 15.539999999999999 109.715 -175.371 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 65.0 mttp -139.97 -123.91 0.11 Allowed 'General case' 0 C--N 1.361 1.099 0 N-CA-C 103.486 -2.783 . . . . 17.23 103.486 173.701 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.17 157.09 35.33 Favored 'General case' 0 C--N 1.359 0.997 0 N-CA-C 106.54 -1.652 . . . . 14.380000000000001 106.54 176.134 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.9 mmp_? -116.12 138.5 51.19 Favored 'General case' 0 C--N 1.36 1.034 0 C-N-CA 126.121 1.768 . . . . 13.85 106.371 174.026 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.453 ' H ' ' HD2' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -103.92 -40.41 6.23 Favored 'General case' 0 C--N 1.361 1.095 0 C-N-CA 127.133 2.173 . . . . 13.210000000000001 108.715 -179.533 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 17.3 ttt85 58.64 -80.23 0.02 OUTLIER 'General case' 0 C--N 1.364 1.222 0 N-CA-C 121.555 3.909 . . . . 10.609999999999999 121.555 153.707 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 46.1 mmm-85 -87.49 171.86 10.21 Favored 'General case' 0 C--N 1.366 1.318 0 C-N-CA 127.409 2.284 . . . . 8.1999999999999993 112.071 -162.542 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.8 m -100.27 139.33 22.0 Favored 'Isoleucine or valine' 0 C--N 1.359 1.004 0 C-N-CA 127.479 2.312 . . . . 4.3600000000000003 110.53 -162.541 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.3 mp -143.83 139.15 29.15 Favored 'General case' 0 C--N 1.357 0.924 0 N-CA-C 104.419 -2.438 . . . . 5.2400000000000002 104.419 173.215 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -106.19 97.68 7.45 Favored 'General case' 0 C--N 1.364 1.196 0 C-N-CA 127.585 2.354 . . . . 1.53 107.201 168.802 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 30.1 m -123.07 -166.63 1.48 Allowed 'General case' 0 C--N 1.348 0.538 0 C-N-CA 127.899 2.48 . . . . 1.3100000000000001 107.098 176.685 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.7 pptp? -73.69 -13.41 60.98 Favored 'General case' 0 C--N 1.368 1.395 0 C-N-CA 127.367 2.267 . . . . 3.73 116.669 -169.157 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -78.88 -34.63 44.69 Favored 'General case' 0 C--N 1.366 1.326 0 C-N-CA 126.726 2.01 . . . . 1.1299999999999999 112.688 173.609 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 42.4 mm-40 -78.16 -41.83 33.55 Favored 'General case' 0 C--N 1.367 1.345 0 C-N-CA 128.136 2.574 . . . . 0.85999999999999999 111.038 -173.502 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 71.8 p -74.52 -30.79 61.91 Favored 'General case' 0 C--N 1.365 1.281 0 C-N-CA 126.777 2.031 . . . . 1.1200000000000001 112.147 178.812 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 49.9 t80 -64.28 -50.75 66.67 Favored 'General case' 0 C--N 1.368 1.411 0 C-N-CA 127.643 2.377 . . . . 1.22 112.855 176.252 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -75.14 -35.65 61.64 Favored 'General case' 0 C--N 1.359 1.01 0 N-CA-C 115.502 1.668 . . . . 1.0600000000000001 115.502 -176.559 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 89.3 mt -69.83 -43.48 71.92 Favored 'General case' 0 C--N 1.364 1.233 0 C-N-CA 126.329 1.852 . . . . 1.05 114.422 177.906 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 77.0 mt-10 -70.09 -31.8 69.56 Favored 'General case' 0 C--N 1.362 1.145 0 C-N-CA 126.711 2.004 . . . . 1.6599999999999999 115.279 173.802 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.6 ptm180 -77.53 -29.32 52.3 Favored 'General case' 0 C--N 1.369 1.441 0 N-CA-C 115.773 1.768 . . . . 2.54 115.773 -179.713 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.258 27.6 mmm-85 -77.56 -25.61 50.23 Favored 'General case' 0 C--N 1.369 1.445 0 C-N-CA 123.803 0.841 . . . . 1.8899999999999999 112.323 165.523 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.402 ' O ' ' HG2' ' A' ' 29' ' ' ARG . 46.6 t80 -68.8 -46.37 68.86 Favored 'General case' 0 C--N 1.375 1.706 0 C-N-CA 126.757 2.023 . . . . 0.82999999999999996 113.737 -177.52 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.402 ' HG2' ' O ' ' A' ' 28' ' ' PHE 2.348 11.3 mmm-85 -58.71 -25.71 63.16 Favored 'General case' 0 N--CA 1.496 1.866 0 C-N-CA 128.491 2.717 . . . . 4.5700000000000003 114.3 176.184 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 65.7 tp60 -97.95 -30.41 12.74 Favored 'General case' 0 C--N 1.37 1.472 0 C-N-CA 127.667 2.387 . . . . 2.5299999999999998 112.748 -177.217 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -170.96 150.52 3.13 Favored 'General case' 0 C--N 1.37 1.473 0 N-CA-C 107.086 -1.45 . . . . 2.04 107.086 -167.534 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.9 mtm105 -100.89 -34.14 9.92 Favored 'General case' 0 C--N 1.362 1.133 0 C-N-CA 125.173 1.389 . . . . 4.25 110.438 -177.937 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 58.4 m-85 -117.28 137.01 52.69 Favored 'General case' 0 C--N 1.357 0.919 0 C-N-CA 125.878 1.671 . . . . 5.9000000000000004 108.678 -179.826 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -144.26 121.72 11.7 Favored 'General case' 0 CA--C 1.495 -1.138 0 N-CA-C 101.027 -3.694 . . . . 1.23 101.027 -173.023 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.6 p -83.9 164.91 19.14 Favored 'General case' 0 C--N 1.364 1.221 0 C-N-CA 126.94 2.096 . . . . 2.04 111.081 -168.185 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -41.3 -45.23 6.9 Favored Pre-proline 0 C--N 1.366 1.307 0 N-CA-C 120.733 3.605 . . . . 1.23 120.733 -174.048 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -71.78 -29.88 15.03 Favored 'Trans proline' 0 C--N 1.36 1.149 0 C-N-CA 124.292 3.328 . . . . 1.03 114.229 177.723 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -94.51 -18.63 21.27 Favored 'General case' 0 C--N 1.364 1.211 0 C-N-CA 126.009 1.724 . . . . 1.7 113.963 176.596 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 -81.44 -40.37 23.45 Favored 'General case' 0 C--N 1.373 1.611 0 C-N-CA 127.106 2.163 . . . . 3.04 111.241 -178.107 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -84.71 -17.69 37.59 Favored 'General case' 0 C--N 1.368 1.399 0 C-N-CA 125.627 1.571 . . . . 1.74 112.135 -179.584 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 46.6 t-80 -82.0 -24.25 35.53 Favored 'General case' 0 C--N 1.366 1.293 0 C-N-CA 128.066 2.546 . . . . 2.0099999999999998 111.914 174.824 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -64.45 -50.38 67.74 Favored 'General case' 0 C--N 1.37 1.46 0 C-N-CA 129.097 2.959 . . . . 1.1899999999999999 111.892 168.763 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.91 -31.92 73.38 Favored 'General case' 0 C--N 1.357 0.935 0 C-N-CA 129.223 3.009 . . . . 1.0700000000000001 116.362 175.687 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 67.0 m -85.05 -27.11 26.58 Favored 'General case' 0 C--N 1.362 1.116 0 C-N-CA 125.762 1.625 . . . . 1.03 113.372 177.845 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 40.1 tp -77.12 -33.97 56.72 Favored 'General case' 0 C--N 1.361 1.079 0 C-N-CA 127.075 2.15 . . . . 2.3500000000000001 112.546 177.189 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.6 pt -104.76 -21.8 5.16 Favored 'Isoleucine or valine' 0 C--N 1.366 1.285 0 C-N-CA 124.348 1.059 . . . . 1.0700000000000001 112.185 -174.023 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.8 tpp180 84.99 70.06 0.01 OUTLIER 'General case' 0 C--N 1.372 1.562 0 C-N-CA 129.227 3.011 . . . . 3.6099999999999999 114.051 175.818 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 93.4 mt -139.87 -166.57 2.11 Favored 'General case' 0 C--N 1.359 0.997 0 N-CA-C 106.981 -1.488 . . . . 1.1200000000000001 106.981 169.972 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.418 HG22 ' H ' ' A' ' 51' ' ' THR . 71.3 p -98.8 144.53 28.33 Favored Pre-proline 0 C--N 1.368 1.412 0 C-N-CA 126.625 1.97 . . . . 1.3600000000000001 108.703 175.643 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_exo -61.2 -18.92 61.3 Favored 'Trans proline' 0 C--N 1.367 1.548 1 C-N-CA 126.128 4.552 . . . . 1.0 116.572 172.26 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.418 ' H ' HG22 ' A' ' 49' ' ' THR . 13.8 t -85.54 -31.0 22.94 Favored 'General case' 0 C--N 1.366 1.294 0 C-N-CA 126.997 2.119 . . . . 1.1299999999999999 111.144 -178.579 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -82.16 -32.41 30.0 Favored 'General case' 0 C--N 1.373 1.595 0 CA-C-N 119.362 0.983 . . . . 1.04 112.765 178.586 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.5 p -70.73 -36.71 66.08 Favored 'Isoleucine or valine' 0 C--N 1.376 1.743 0 C-N-CA 124.972 1.309 . . . . 1.0700000000000001 112.74 172.2 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.98 -47.62 82.44 Favored 'General case' 0 C--N 1.369 1.439 0 C-N-CA 128.04 2.536 . . . . 1.54 113.543 170.989 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.293 4.9 mt -84.45 -5.83 9.82 Favored 'Isoleucine or valine' 0 C--N 1.369 1.42 0 N-CA-C 115.219 1.562 . . . . 1.3200000000000001 115.219 177.519 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 31.0 t90 -74.53 -42.46 58.82 Favored 'General case' 0 C--N 1.376 1.743 0 C-N-CA 125.759 1.624 . . . . 0.28000000000000003 110.87 166.945 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -84.51 -12.02 55.02 Favored 'General case' 0 C--N 1.365 1.276 0 C-N-CA 126.54 1.936 . . . . 0.46000000000000002 113.588 -179.532 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -79.34 -34.71 41.93 Favored 'General case' 0 C--N 1.359 0.994 0 C-N-CA 127.377 2.271 . . . . 1.3400000000000001 111.716 170.293 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 70.4 m-20 -90.39 -40.39 12.09 Favored 'General case' 0 C--N 1.367 1.338 0 C-N-CA 126.192 1.797 . . . . 0.56000000000000005 114.051 -176.058 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -80.56 -13.01 59.43 Favored 'General case' 0 C--N 1.363 1.191 0 N-CA-C 116.369 1.989 . . . . 2.3900000000000001 116.369 -166.849 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.7 ptm180 -89.24 81.13 6.75 Favored 'General case' 0 C--N 1.379 1.863 0 C-N-CA 129.488 3.115 . . . . 3.79 106.172 151.818 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -147.75 65.11 1.12 Allowed 'General case' 0 N--CA 1.439 -1.024 1 C-N-CA 132.676 4.39 . . . . 6.3799999999999999 114.258 18.276 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -104.44 65.33 0.77 Allowed 'General case' 0 CA--C 1.509 -0.602 0 N-CA-C 103.462 -2.792 . . . . 5.9000000000000004 103.462 159.197 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 80.4 m -75.15 30.42 0.1 Allowed 'General case' 0 C--N 1.37 1.494 1 C-N-CA 133.395 4.678 . . . . 3.6800000000000002 115.169 -166.387 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . 2.368 0.0 OUTLIER -28.84 69.31 0.0 OUTLIER 'General case' 0 C--N 1.373 1.616 1 C-N-CA 134.198 4.999 . . . . 8.1699999999999999 120.207 -150.839 . . . . . . . . 4 3 . 1 . 024 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . 2.273 45.7 ptt85 -97.69 66.35 1.93 Allowed 'General case' 0 C--N 1.358 0.945 1 C-N-CA 132.366 4.266 . . . . 11.25 108.198 167.46 . . . . . . . . 3 2 . 1 . 024 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -99.96 11.76 38.51 Favored 'General case' 0 C--N 1.363 1.181 0 C-N-CA 125.555 1.542 . . . . 9.0999999999999996 112.044 -173.721 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -105.24 10.39 33.69 Favored 'General case' 0 C--N 1.365 1.254 0 C-N-CA 126.371 1.868 . . . . 9.5800000000000001 114.512 -174.965 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . 2.535 3.1 t30 176.96 -34.0 0.01 OUTLIER 'General case' 0 N--CA 1.435 -1.222 0 CA-C-N 111.708 -2.496 . . . . 12.300000000000001 109.469 147.801 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -48.93 118.54 2.66 Favored 'General case' 0 C--N 1.371 1.527 0 C-N-CA 127.611 2.364 . . . . 12.57 115.867 -135.036 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -49.09 115.56 1.34 Allowed 'General case' 0 C--N 1.364 1.21 0 N-CA-C 119.675 3.213 . . . . 16.329999999999998 119.675 -118.892 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 84.71 50.73 4.09 Favored Glycine 0 C--N 1.363 2.074 0 C-N-CA 128.769 3.081 . . . . 15.41 113.175 178.395 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -76.98 -54.71 6.21 Favored 'General case' 0 C--N 1.366 1.311 0 C-N-CA 127.477 2.311 . . . . 13.81 114.665 -174.1 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -124.78 56.54 1.3 Allowed 'General case' 0 N--CA 1.44 -0.936 0 C-N-CA 128.653 2.781 . . . . 14.6 106.635 175.007 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 176.0 88.76 0.07 OUTLIER Glycine 0 C--N 1.356 1.639 0 N-CA-C 108.298 -1.921 . . . . 15.93 108.298 -179.862 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -145.14 -58.19 0.02 OUTLIER Pre-proline 0 C--N 1.358 0.936 0 CA-C-O 116.011 -1.947 . . . . 18.34 108.05 174.746 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo . . . . . 0 C--O 1.263 1.761 0 CA-C-N 125.48 2.993 . . . . 17.68 109.601 173.655 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.498 0.19 . . . . 17.23 110.704 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.1 t -153.2 -146.58 0.2 Allowed 'General case' 0 C--N 1.362 1.151 0 N-CA-C 104.375 -2.454 . . . . 16.870000000000001 104.375 -179.879 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -150.01 10.9 0.72 Allowed 'General case' 0 C--N 1.358 0.945 0 N-CA-C 106.41 -1.7 . . . . 17.010000000000002 106.41 177.319 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.45 -135.62 4.03 Favored Glycine 0 C--N 1.359 1.829 0 N-CA-C 105.829 -2.908 . . . . 15.789999999999999 105.829 -177.541 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.445 ' H ' ' CD ' ' A' ' 6' ' ' PRO 0.314 1.8 pt? -158.65 -43.65 0.0 OUTLIER Pre-proline 0 C--N 1.356 0.876 0 CA-C-O 114.364 -2.732 . . . . 16.199999999999999 112.474 177.524 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.445 ' CD ' ' H ' ' A' ' 5' ' ' LEU . 63.3 Cg_endo -94.61 60.95 0.27 Allowed 'Trans proline' 0 C--N 1.37 1.693 0 CA-C-N 127.796 3.82 . . . . 14.32 110.608 -163.772 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 44.0 t30 -159.89 -30.53 0.06 Allowed 'General case' 0 C--N 1.358 0.937 0 N-CA-C 105.303 -2.11 . . . . 15.539999999999999 105.303 -179.35 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.7 mptt -96.6 -34.53 11.39 Favored 'General case' 0 C--N 1.361 1.085 0 C-N-CA 128.561 2.744 . . . . 17.23 108.769 -177.563 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -151.15 99.17 2.64 Favored 'General case' 0 C--N 1.358 0.942 0 N-CA-C 105.368 -2.086 . . . . 14.380000000000001 105.368 179.968 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 27.1 ptt-85 -133.22 -12.56 2.79 Favored 'General case' 0 C--N 1.357 0.908 0 C-N-CA 125.143 1.377 . . . . 13.85 107.465 172.406 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -120.69 -66.6 1.04 Allowed 'General case' 0 C--N 1.367 1.33 0 N-CA-C 104.898 -2.26 . . . . 13.210000000000001 104.898 167.274 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.479 ' H ' ' HE ' ' A' ' 12' ' ' ARG 2.307 2.5 mtm180 66.63 -83.3 0.03 OUTLIER 'General case' 0 C--N 1.37 1.458 0 C-N-CA 129.472 3.109 . . . . 10.609999999999999 116.833 171.32 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 15.3 mmm180 -98.22 -169.29 1.78 Allowed 'General case' 0 C--N 1.362 1.149 0 C-N-CA 129.002 2.921 . . . . 8.1999999999999993 107.461 179.265 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 2.025 7.7 m -66.28 -86.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.358 0.952 0 C-N-CA 129.193 2.997 . . . . 4.3600000000000003 115.379 -154.964 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.57 140.34 51.16 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 130.058 3.343 . . . . 5.2400000000000002 115.497 -175.556 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.439 ' HB3' ' HB2' ' A' ' 20' ' ' GLN . 18.3 m-30 -96.7 149.61 21.62 Favored 'General case' 0 C--N 1.358 0.972 0 C-N-CA 128.097 2.559 . . . . 1.53 112.552 -156.34 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . 0.259 10.8 m -103.13 -171.05 1.88 Allowed 'General case' 0 C--N 1.371 1.53 0 C-N-CA 126.85 2.06 . . . . 1.3100000000000001 110.268 -175.229 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.7 pptp? -74.99 -9.92 58.99 Favored 'General case' 0 C--N 1.369 1.442 0 N-CA-C 117.473 2.397 . . . . 3.73 117.473 -162.233 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -83.59 -42.74 16.42 Favored 'General case' 0 C--N 1.363 1.157 0 C-N-CA 125.826 1.65 . . . . 1.1299999999999999 111.736 168.671 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.439 ' HB2' ' HB3' ' A' ' 16' ' ' PHE . 50.2 mm-40 -73.52 -46.23 49.01 Favored 'General case' 0 C--N 1.368 1.41 0 C-N-CA 128.451 2.7 . . . . 0.85999999999999999 112.104 -174.425 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 67.4 p -65.92 -40.48 91.48 Favored 'General case' 0 C--N 1.373 1.618 0 C-N-CA 127.896 2.478 . . . . 1.1200000000000001 111.941 179.053 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -56.13 -56.58 19.21 Favored 'General case' 0 C--N 1.367 1.328 0 C-N-CA 128.332 2.653 . . . . 1.22 113.433 175.981 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.416 ' HA ' ' HG2' ' A' ' 26' ' ' ARG . 65.5 mm-40 -67.25 -35.84 80.37 Favored 'General case' 0 C--N 1.37 1.466 0 N-CA-C 115.397 1.629 . . . . 1.0600000000000001 115.397 -176.407 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 96.3 mt -66.78 -38.02 85.72 Favored 'General case' 0 C--N 1.365 1.247 0 C-N-CA 126.606 1.962 . . . . 1.05 116.002 178.126 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -75.87 -28.67 58.25 Favored 'General case' 0 C--N 1.358 0.935 0 C-N-CA 128.091 2.556 . . . . 1.6599999999999999 114.355 175.314 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.416 ' HG2' ' HA ' ' A' ' 23' ' ' GLU 0.254 0.5 OUTLIER -64.75 -50.15 67.97 Favored 'General case' 0 C--N 1.377 1.804 0 C-N-CA 125.263 1.425 . . . . 2.54 112.545 173.75 . . . . . . . . 4 4 . 1 . 025 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.14 -38.38 82.93 Favored 'General case' 0 C--N 1.384 2.108 0 N-CA-C 115.727 1.751 . . . . 1.8899999999999999 115.727 170.823 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -68.28 -25.04 64.96 Favored 'General case' 0 C--N 1.377 1.774 0 C-N-CA 125.65 1.58 . . . . 0.82999999999999996 114.32 -177.572 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 17.1 mmm-85 -72.21 -36.59 69.22 Favored 'General case' 0 C--N 1.366 1.286 0 C-N-CA 126.742 2.017 . . . . 4.5700000000000003 114.495 173.441 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 65.7 tp60 -94.75 -27.6 15.72 Favored 'General case' 0 N--CA 1.433 -1.295 0 C-N-CA 128.162 2.585 . . . . 2.5299999999999998 113.06 -172.579 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -167.52 158.79 11.67 Favored 'General case' 0 C--N 1.365 1.244 0 N-CA-C 107.516 -1.29 . . . . 2.04 107.516 -165.821 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 12.2 mtm105 -105.22 -37.48 6.87 Favored 'General case' 0 C--N 1.366 1.31 0 C-N-CA 124.878 1.271 . . . . 4.25 109.745 173.85 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 42.0 p90 -113.23 143.44 44.4 Favored 'General case' 0 C--N 1.36 1.058 0 C-N-CA 127.033 2.133 . . . . 5.9000000000000004 109.315 -175.249 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -154.89 123.11 5.92 Favored 'General case' 0 N--CA 1.443 -0.796 0 N-CA-C 102.912 -2.995 . . . . 1.23 102.912 -170.938 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 8.2 m -81.98 163.03 22.43 Favored 'General case' 0 C--N 1.371 1.523 0 C-N-CA 126.805 2.042 . . . . 2.04 111.407 -170.43 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.65 -37.5 32.22 Favored Pre-proline 0 C--N 1.367 1.348 0 N-CA-C 120.21 3.411 . . . . 1.23 120.21 -172.908 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -67.23 -29.59 38.84 Favored 'Trans proline' 0 C--N 1.362 1.264 0 C-N-CA 124.406 3.404 . . . . 1.03 115.173 174.447 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -101.26 -20.35 15.29 Favored 'General case' 0 C--N 1.363 1.156 0 C-N-CA 125.941 1.697 . . . . 1.7 114.665 176.289 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 46.0 ttp85 -80.64 -42.9 21.35 Favored 'General case' 0 C--N 1.374 1.651 0 C-N-CA 125.97 1.708 . . . . 3.04 111.374 -176.961 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 77.4 mt-10 -84.07 -18.07 38.19 Favored 'General case' 0 C--N 1.367 1.346 0 C-N-CA 126.311 1.844 . . . . 1.74 111.738 -176.71 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 78.3 t60 -85.06 -23.44 28.57 Favored 'General case' 0 C--N 1.365 1.278 0 C-N-CA 127.991 2.517 . . . . 2.0099999999999998 111.416 176.199 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -73.25 -34.31 65.77 Favored 'General case' 0 C--N 1.37 1.475 0 C-N-CA 128.03 2.532 . . . . 1.1899999999999999 111.856 169.097 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -76.78 -28.92 55.85 Favored 'General case' 0 C--N 1.362 1.123 0 C-N-CA 127.2 2.2 . . . . 1.0700000000000001 113.847 174.568 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 71.0 m -81.18 -33.14 33.24 Favored 'General case' 0 C--N 1.361 1.095 0 C-N-CA 125.098 1.359 . . . . 1.03 114.09 178.541 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 85.5 mt -85.07 -24.23 28.2 Favored 'General case' 0 C--N 1.359 1.018 0 C-N-CA 125.953 1.701 . . . . 2.3500000000000001 113.294 177.355 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . 0.255 1.0 OUTLIER -96.39 -19.61 6.1 Favored 'Isoleucine or valine' 0 C--N 1.37 1.469 0 CA-C-N 118.994 0.815 . . . . 1.0700000000000001 112.334 176.19 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 38.1 tpt85 86.72 51.91 0.01 OUTLIER 'General case' 0 C--N 1.371 1.524 0 C-N-CA 128.999 2.919 . . . . 3.6099999999999999 112.639 167.685 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 85.1 mt -134.85 -167.57 2.01 Favored 'General case' 0 C--N 1.359 1.013 0 N-CA-C 106.71 -1.589 . . . . 1.1200000000000001 106.71 176.208 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 81.9 p -102.09 145.44 30.5 Favored Pre-proline 0 C--N 1.365 1.281 0 C-N-CA 125.987 1.715 . . . . 1.3600000000000001 108.393 -177.129 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_exo -61.5 -18.64 60.78 Favored 'Trans proline' 0 C--N 1.366 1.454 1 C-N-CA 126.127 4.552 . . . . 1.0 116.559 172.524 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 14.3 t -89.3 -30.19 18.63 Favored 'General case' 0 C--N 1.363 1.172 0 C-N-CA 126.635 1.974 . . . . 1.1299999999999999 110.921 -176.355 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -80.94 -33.18 34.18 Favored 'General case' 0 C--N 1.375 1.679 0 C-N-CA 124.672 1.189 . . . . 1.04 111.839 177.644 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.2 p -70.21 -39.93 77.47 Favored 'Isoleucine or valine' 0 C--N 1.382 1.988 0 C-N-CA 125.419 1.488 . . . . 1.0700000000000001 111.204 174.749 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.42 -33.74 76.56 Favored 'General case' 0 C--N 1.367 1.356 0 N-CA-C 115.568 1.692 . . . . 1.54 115.568 171.457 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.317 0.5 OUTLIER -80.51 -9.69 12.13 Favored 'Isoleucine or valine' 0 C--N 1.386 2.16 0 CA-C-N 121.671 2.032 . . . . 1.3200000000000001 114.886 167.475 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 17.1 t90 -74.97 -37.05 62.02 Favored 'General case' 0 C--N 1.376 1.723 0 CA-C-N 120.891 1.678 . . . . 0.28000000000000003 111.714 170.217 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 -85.09 -12.38 53.11 Favored 'General case' 0 C--N 1.367 1.342 0 C-N-CA 127.547 2.339 . . . . 0.46000000000000002 113.523 177.671 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -70.03 -40.84 74.94 Favored 'General case' 0 C--N 1.367 1.357 0 C-N-CA 127.981 2.512 . . . . 1.3400000000000001 112.091 163.926 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -91.62 -23.58 19.81 Favored 'General case' 0 C--N 1.367 1.327 0 C-N-CA 126.293 1.837 . . . . 0.56000000000000005 113.785 -171.143 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . 2.221 46.5 t60 -67.34 -41.57 85.0 Favored 'General case' 0 C--N 1.375 1.691 0 C-N-CA 125.954 1.702 . . . . 2.3900000000000001 112.8 -178.076 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.13 37.75 0.69 Allowed 'General case' 0 C--N 1.373 1.609 0 C-N-CA 128.219 2.608 . . . . 3.79 112.898 -176.426 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.451 ' HB2' ' H ' ' A' ' 63' ' ' LYS 2.44 0.0 OUTLIER 176.23 96.08 0.01 OUTLIER 'General case' 0 CA--C 1.493 -1.221 0 N-CA-C 102.685 -3.08 . . . . 6.3799999999999999 102.685 173.047 . . . . . . . . 4 4 . 1 . 025 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.451 ' H ' ' HB2' ' A' ' 62' ' ' TYR 0.283 30.9 mmmt 136.61 81.56 0.0 OUTLIER 'General case' 0 N--CA 1.446 -0.64 1 C-N-CA 135.375 5.47 . . . . 5.9000000000000004 105.706 168.295 . . . . . . . . 4 3 . 1 . 025 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . 2.107 0.0 OUTLIER -48.33 -102.99 0.0 OUTLIER 'General case' 0 C--N 1.374 1.67 1 C-N-CA 134.057 4.943 . . . . 3.6800000000000002 116.085 169.858 . . . . . . . . 4 3 . 1 . 025 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.84 -56.83 3.29 Favored 'General case' 0 C--N 1.36 1.024 0 C-N-CA 126.94 2.096 . . . . 8.1699999999999999 114.007 -159.207 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.3 tpt180 -108.05 97.09 6.84 Favored 'General case' 0 C--N 1.364 1.23 0 N-CA-C 104.953 -2.24 . . . . 11.25 104.953 171.885 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -99.47 89.15 4.07 Favored 'General case' 0 C--N 1.363 1.158 0 C-N-CA 124.875 1.27 . . . . 9.0999999999999996 112.447 -169.027 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . 2.237 6.6 pt20 -74.11 -71.23 0.34 Allowed 'General case' 0 C--N 1.354 0.764 0 C-N-CA 130.816 3.646 . . . . 9.5800000000000001 113.812 172.634 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . 2.227 73.4 m-80 -72.04 16.45 0.12 Allowed 'General case' 0 N--CA 1.489 1.481 1 C-N-CA 134.135 4.974 . . . . 12.300000000000001 119.3 -156.972 . . . . . . . . 3 2 . 1 . 025 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -80.88 96.68 7.11 Favored 'General case' 0 CA--C 1.501 -0.911 0 C-N-CA 130.522 3.529 . . . . 12.57 107.737 170.838 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 58.2 mttm -49.03 159.35 0.27 Allowed 'General case' 0 C--N 1.358 0.949 0 C-N-CA 130.388 3.475 . . . . 16.329999999999998 120.319 -136.649 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 111.12 69.79 0.59 Allowed Glycine 0 C--N 1.358 1.801 0 N-CA-C 106.259 -2.736 . . . . 15.41 106.259 -149.42 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . 2.316 0.0 OUTLIER -59.22 24.72 0.01 OUTLIER 'General case' 0 C--N 1.372 1.58 0 N-CA-C 121.452 3.871 . . . . 13.81 121.452 -169.229 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -132.78 82.25 1.99 Allowed 'General case' 0 N--CA 1.438 -1.027 0 C-N-CA 128.177 2.591 . . . . 14.6 108.638 -174.735 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 144.54 93.58 0.16 Allowed Glycine 0 C--N 1.359 1.828 0 N-CA-C 110.662 -0.975 . . . . 15.93 110.662 166.625 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 80.6 t60 -160.59 137.58 6.65 Favored Pre-proline 0 C--N 1.361 1.084 0 N-CA-C 104.746 -2.316 . . . . 18.34 104.746 178.855 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo . . . . . 0 C--O 1.261 1.647 0 C-N-CA 123.74 2.96 . . . . 17.68 109.113 169.457 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.651 0.262 . . . . 17.23 110.428 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.5 m -139.33 27.26 2.33 Favored 'General case' 0 C--N 1.36 1.037 0 N-CA-C 106.422 -1.696 . . . . 16.870000000000001 106.422 179.089 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -143.42 102.54 3.97 Favored 'General case' 0 C--N 1.365 1.266 0 N-CA-C 106.464 -1.68 . . . . 17.010000000000002 106.464 -175.825 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -99.5 109.26 3.71 Favored Glycine 0 C--N 1.366 2.226 0 N-CA-C 108.146 -1.982 . . . . 15.789999999999999 108.146 174.048 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.4 pp -153.07 160.23 31.21 Favored Pre-proline 0 C--N 1.359 0.991 0 N-CA-C 106.027 -1.842 . . . . 16.199999999999999 106.027 -170.355 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -81.46 150.11 16.97 Favored 'Trans proline' 0 C--N 1.363 1.31 0 C-N-CA 123.536 2.824 . . . . 14.32 113.225 -166.98 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 38.0 t30 -103.15 102.39 12.39 Favored 'General case' 0 C--N 1.365 1.264 0 C-N-CA 126.994 2.117 . . . . 15.539999999999999 105.324 168.669 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.4 mtmp? -95.94 159.14 15.12 Favored 'General case' 0 C--N 1.36 1.041 0 C-N-CA 126.073 1.749 . . . . 17.23 113.763 -159.196 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . 2.461 23.0 pttp 124.44 -166.21 0.0 OUTLIER 'General case' 0 C--N 1.363 1.172 0 C-N-CA 126.712 2.005 . . . . 14.380000000000001 108.964 167.161 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.298 24.3 ttp180 87.66 -126.19 0.01 OUTLIER 'General case' 0 C--N 1.366 1.29 0 C-N-CA 129.26 3.024 . . . . 13.85 111.979 177.506 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.0 ttmp? 84.24 56.66 0.01 OUTLIER 'General case' 0 C--N 1.37 1.477 0 C-N-CA 129.176 2.991 . . . . 13.210000000000001 111.448 179.397 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.65 -159.67 0.26 Allowed 'General case' 0 N--CA 1.428 -1.559 0 C-N-CA 130.467 3.507 . . . . 10.609999999999999 116.86 -170.846 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . 2.31 0.0 OUTLIER -44.53 -6.01 0.01 OUTLIER 'General case' 0 C--N 1.374 1.654 2 C-N-CA 138.288 6.635 . . . . 8.1999999999999993 122.58 179.097 . . . . . . . . 4 3 . 1 . 026 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 6.4 m -95.72 124.68 48.46 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.109 1 C-N-CA 132.715 4.406 . . . . 4.3600000000000003 111.071 -163.609 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.9 mp -146.1 127.83 15.27 Favored 'General case' 0 N--CA 1.439 -1.007 0 N-CA-C 102.358 -3.201 . . . . 5.2400000000000002 102.358 -173.353 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.491 ' HB3' ' HB2' ' A' ' 20' ' ' GLN . 14.8 m-30 -84.27 147.91 26.97 Favored 'General case' 0 C--N 1.362 1.144 0 N-CA-C 117.27 2.322 . . . . 1.53 117.27 -153.237 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.3 m -115.09 -169.15 1.5 Allowed 'General case' 0 C--N 1.371 1.527 0 C-N-CA 128.57 2.748 . . . . 1.3100000000000001 107.895 -178.705 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.03 0.03 29.39 Favored 'General case' 0 C--N 1.37 1.463 0 C-N-CA 127.091 2.156 . . . . 3.73 116.634 -167.258 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.33 -43.15 15.06 Favored 'General case' 0 C--N 1.363 1.164 0 C-N-CA 126.204 1.802 . . . . 1.1299999999999999 112.102 165.98 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.491 ' HB2' ' HB3' ' A' ' 16' ' ' PHE . 41.3 mm-40 -77.4 -44.82 27.91 Favored 'General case' 0 C--N 1.367 1.357 0 C-N-CA 128.394 2.678 . . . . 0.85999999999999999 111.395 -171.107 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 81.1 p -66.02 -33.53 76.02 Favored 'General case' 0 C--N 1.37 1.463 0 C-N-CA 127.755 2.422 . . . . 1.1200000000000001 113.364 174.727 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 56.6 t80 -64.7 -49.87 69.21 Favored 'General case' 0 C--N 1.368 1.382 0 C-N-CA 127.703 2.401 . . . . 1.22 113.343 178.437 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -71.54 -35.68 70.73 Favored 'General case' 0 C--N 1.361 1.073 0 C-N-CA 126.217 1.807 . . . . 1.0600000000000001 115.627 -178.594 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 93.5 mt -71.49 -40.08 70.43 Favored 'General case' 0 C--N 1.361 1.094 0 C-N-CA 126.329 1.851 . . . . 1.05 115.193 178.819 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -69.82 -33.24 72.05 Favored 'General case' 0 C--N 1.361 1.079 0 C-N-CA 127.363 2.265 . . . . 1.6599999999999999 115.117 171.809 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -76.78 -27.0 55.12 Favored 'General case' 0 C--N 1.371 1.507 0 N-CA-C 116.101 1.889 . . . . 2.54 116.101 178.228 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.26 41.7 mmm-85 -75.41 -31.14 60.3 Favored 'General case' 0 C--N 1.368 1.389 0 C-N-CA 123.496 0.719 . . . . 1.8899999999999999 112.166 165.619 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -69.28 -23.97 63.91 Favored 'General case' 0 C--N 1.374 1.648 0 C-N-CA 126.568 1.947 . . . . 0.82999999999999996 113.965 -178.363 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 19.3 mmm-85 -74.33 -42.56 59.22 Favored 'General case' 0 C--N 1.365 1.282 0 C-N-CA 127.093 2.157 . . . . 4.5700000000000003 114.324 174.585 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 64.3 tp60 -92.45 -23.36 19.18 Favored 'General case' 0 C--N 1.36 1.064 0 C-N-CA 128.079 2.552 . . . . 2.5299999999999998 113.006 -172.27 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -158.45 156.59 30.63 Favored 'General case' 0 C--N 1.363 1.169 0 N-CA-C 106.64 -1.615 . . . . 2.04 106.64 -177.459 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 15.2 mtm105 -105.15 -33.3 8.31 Favored 'General case' 0 C--N 1.366 1.289 0 C-N-CA 124.991 1.316 . . . . 4.25 108.597 -179.857 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 49.9 p90 -125.87 146.49 49.8 Favored 'General case' 0 N--CA 1.437 -1.092 0 C-N-CA 127.539 2.336 . . . . 5.9000000000000004 106.843 -178.651 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -153.19 123.55 7.11 Favored 'General case' 0 CA--C 1.499 -0.986 0 N-CA-C 102.816 -3.031 . . . . 1.23 102.816 -170.845 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 29.1 p -93.59 160.75 14.64 Favored 'General case' 0 C--N 1.365 1.239 0 C-N-CA 127.178 2.191 . . . . 2.04 110.735 -165.784 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . 0.256 . . -44.25 -43.73 16.31 Favored Pre-proline 0 C--N 1.367 1.359 0 N-CA-C 120.587 3.551 . . . . 1.23 120.587 -164.967 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_exo -67.27 -34.04 28.7 Favored 'Trans proline' 0 C--N 1.359 1.12 0 C-N-CA 124.253 3.302 . . . . 1.03 115.281 177.887 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -95.44 -20.15 19.3 Favored 'General case' 0 C--N 1.365 1.26 0 C-N-CA 126.551 1.941 . . . . 1.7 113.395 178.554 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 -83.92 -35.18 24.24 Favored 'General case' 0 C--N 1.375 1.695 0 CA-C-N 120.082 1.31 . . . . 3.04 111.956 -175.833 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -81.32 -16.12 53.37 Favored 'General case' 0 C--N 1.373 1.628 0 C-N-CA 126.719 2.007 . . . . 1.74 111.666 176.56 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 46.4 t-80 -80.79 -28.49 36.32 Favored 'General case' 0 C--N 1.366 1.296 0 C-N-CA 128.375 2.67 . . . . 2.0099999999999998 111.666 174.695 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -73.44 -33.77 65.08 Favored 'General case' 0 C--N 1.37 1.461 0 C-N-CA 128.224 2.61 . . . . 1.1899999999999999 112.293 171.944 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -78.86 -27.07 44.05 Favored 'General case' 0 C--N 1.363 1.172 0 C-N-CA 127.221 2.208 . . . . 1.0700000000000001 113.886 175.061 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 75.7 m -83.35 -25.29 31.55 Favored 'General case' 0 C--N 1.359 1.018 0 C-N-CA 126.006 1.722 . . . . 1.03 112.522 175.238 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 48.2 tp -74.3 -39.89 62.6 Favored 'General case' 0 C--N 1.362 1.132 0 C-N-CA 128.007 2.523 . . . . 2.3500000000000001 112.421 174.554 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.7 pt -103.84 -15.69 8.02 Favored 'Isoleucine or valine' 0 C--N 1.367 1.35 0 N-CA-C 113.505 0.928 . . . . 1.0700000000000001 113.505 -173.978 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 23.2 tpt180 88.5 57.03 0.01 OUTLIER 'General case' 0 C--N 1.369 1.415 0 C-N-CA 129.394 3.078 . . . . 3.6099999999999999 113.935 169.979 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 94.5 mt -134.65 -171.45 2.78 Favored 'General case' 0 C--N 1.361 1.094 0 C-N-CA 124.987 1.315 . . . . 1.1200000000000001 108.089 175.527 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 31.8 p -110.22 158.75 34.33 Favored Pre-proline 0 C--N 1.368 1.381 0 C-N-CA 126.526 1.93 . . . . 1.3600000000000001 110.289 179.933 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 78.6 Cg_exo -65.91 -19.5 58.3 Favored 'Trans proline' 0 C--N 1.371 1.715 1 C-N-CA 125.679 4.252 . . . . 1.0 117.466 -176.711 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 14.1 t -88.72 -29.1 20.09 Favored 'General case' 0 C--N 1.365 1.253 0 C-N-CA 125.711 1.605 . . . . 1.1299999999999999 111.685 -175.888 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -84.81 -32.71 23.17 Favored 'General case' 0 C--N 1.368 1.387 0 C-N-CA 124.269 1.028 . . . . 1.04 112.39 179.031 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 8.0 p -67.41 -42.88 87.78 Favored 'Isoleucine or valine' 0 C--N 1.38 1.92 0 C-N-CA 124.055 0.942 . . . . 1.0700000000000001 112.211 169.007 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.24 -37.26 86.84 Favored 'General case' 0 C--N 1.366 1.311 0 C-N-CA 127.128 2.171 . . . . 1.54 115.797 172.626 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.362 0.5 OUTLIER -77.38 -10.75 13.29 Favored 'Isoleucine or valine' 0 C--N 1.383 2.053 0 CA-C-N 121.397 1.908 . . . . 1.3200000000000001 114.605 169.463 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 17.8 t90 -75.03 -41.22 59.65 Favored 'General case' 0 C--N 1.372 1.569 0 CA-C-N 120.355 1.434 . . . . 0.28000000000000003 112.409 169.294 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 -85.14 -7.02 59.26 Favored 'General case' 0 C--N 1.367 1.357 0 C-N-CA 126.205 1.802 . . . . 0.46000000000000002 113.084 178.389 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -71.41 -43.36 66.94 Favored 'General case' 0 C--N 1.364 1.226 0 C-N-CA 128.278 2.631 . . . . 1.3400000000000001 112.326 162.901 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -90.46 -34.45 15.59 Favored 'General case' 0 C--N 1.366 1.313 0 C-N-CA 126.415 1.886 . . . . 0.56000000000000005 114.233 -168.89 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -83.52 -13.66 54.05 Favored 'General case' 0 C--N 1.361 1.088 0 N-CA-C 115.378 1.622 . . . . 2.3900000000000001 115.378 -167.636 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . 0.313 12.1 ptm180 -87.09 52.18 2.45 Favored 'General case' 0 C--N 1.371 1.522 0 C-N-CA 129.449 3.099 . . . . 3.79 114.217 167.308 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -159.97 55.51 0.36 Allowed 'General case' 0 C--N 1.38 1.908 0 CA-C-N 121.134 1.788 . . . . 6.3799999999999999 114.842 -163.899 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 63.96 51.44 2.3 Favored 'General case' 0 N--CA 1.494 1.77 0 CA-C-N 120.215 1.37 . . . . 5.9000000000000004 112.491 170.447 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . 0.328 0.2 OUTLIER -95.54 94.32 7.7 Favored 'General case' 0 C--N 1.365 1.25 0 CA-C-O 125.776 2.703 . . . . 3.6800000000000002 109.455 -140.379 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -48.84 28.84 0.0 OUTLIER 'General case' 0 CA--C 1.543 0.692 1 C-N-CA 135.076 5.35 . . . . 8.1699999999999999 118.715 153.27 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.0 tpt180 -109.18 97.79 7.34 Favored 'General case' 0 C--N 1.361 1.093 0 C-N-CA 127.327 2.251 . . . . 11.25 107.932 -170.166 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -100.91 85.57 2.89 Favored 'General case' 0 C--N 1.363 1.187 0 C-N-CA 127.553 2.341 . . . . 9.0999999999999996 108.39 176.381 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -106.15 94.46 5.18 Favored 'General case' 0 CA--C 1.506 -0.717 0 C-N-CA 126.898 2.079 . . . . 9.5800000000000001 109.757 -176.379 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -146.86 56.95 1.15 Allowed 'General case' 0 N--CA 1.439 -1.003 0 C-N-CA 126.688 1.995 . . . . 12.300000000000001 107.497 -179.557 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.467 ' CD ' ' H ' ' A' ' 71' ' ' LYS 0.374 1.1 pp20? -58.95 -92.09 0.0 OUTLIER 'General case' 0 C--N 1.361 1.078 0 C-N-CA 129.822 3.249 . . . . 12.57 116.066 170.249 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.467 ' H ' ' CD ' ' A' ' 70' ' ' GLU . 71.7 mmtt -92.99 122.98 35.91 Favored 'General case' 0 C--N 1.373 1.628 0 CA-C-N 121.541 1.973 . . . . 16.329999999999998 109.264 172.758 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 102.09 61.55 0.74 Allowed Glycine 0 CA--C 1.479 -2.188 0 C-N-CA 127.175 2.321 . . . . 15.41 109.074 -170.362 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 42.6 t80 -142.99 149.61 38.54 Favored 'General case' 0 N--CA 1.405 -2.718 1 N-CA-C 99.142 -4.392 . . . . 13.81 99.142 174.137 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 25.4 pt-20 -82.27 45.86 0.98 Allowed 'General case' 0 C--N 1.324 -0.53 1 C-N-CA 132.95 4.5 . . . . 14.6 115.212 -168.903 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 93.62 -113.69 4.56 Favored Glycine 0 C--N 1.362 2.004 0 C-N-CA 126.035 1.779 . . . . 15.93 111.086 178.034 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 85.2 t60 -157.95 140.61 10.59 Favored Pre-proline 0 C--N 1.359 1.006 0 N-CA-C 104.531 -2.396 . . . . 18.34 104.531 -179.799 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo . . . . . 0 C--O 1.261 1.649 0 C-N-CA 123.841 3.027 . . . . 17.68 109.164 173.539 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.307 0 CA-C-O 120.471 0.176 . . . . 17.23 110.772 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.9 t -152.19 -143.76 0.14 Allowed 'General case' 0 C--N 1.363 1.184 0 N-CA-C 104.633 -2.358 . . . . 16.870000000000001 104.633 179.496 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.438 ' H ' ' H ' ' A' ' 4' ' ' GLY . 7.3 p-10 -143.99 -28.94 0.51 Allowed 'General case' 0 C--N 1.356 0.875 0 C-N-CA 125.893 1.677 . . . . 17.010000000000002 106.799 -179.981 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.438 ' H ' ' H ' ' A' ' 3' ' ' ASP . . . -104.51 90.92 0.75 Allowed Glycine 0 C--N 1.364 2.121 0 C-N-CA 126.15 1.833 . . . . 15.789999999999999 108.571 176.321 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.1 pp -161.37 172.23 5.97 Favored Pre-proline 0 C--N 1.358 0.973 0 N-CA-C 105.465 -2.05 . . . . 16.199999999999999 105.465 -175.611 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.453 ' HB3' ' HE ' ' A' ' 12' ' ' ARG . 56.6 Cg_endo -79.93 105.56 1.82 Allowed 'Trans proline' 0 C--N 1.362 1.267 0 C-N-CA 124.003 3.135 . . . . 14.32 110.077 166.975 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 21.6 t30 -89.14 -41.51 12.23 Favored 'General case' 0 C--N 1.364 1.211 0 C-N-CA 126.242 1.817 . . . . 15.539999999999999 110.974 -169.578 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.8 tptp -107.32 137.71 44.86 Favored 'General case' 0 C--N 1.362 1.113 0 C-N-CA 126.054 1.742 . . . . 17.23 106.488 174.849 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . 0.285 72.6 mmtt 84.67 -93.28 0.01 OUTLIER 'General case' 0 C--N 1.364 1.226 0 C-N-CA 128.68 2.792 . . . . 14.380000000000001 111.22 -178.867 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 32.2 ttm180 78.14 57.23 0.03 OUTLIER 'General case' 0 C--N 1.37 1.48 0 C-N-CA 129.041 2.936 . . . . 13.85 110.703 -178.222 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 58.2 mtmt -132.81 -10.8 3.06 Favored 'General case' 0 C--N 1.359 1.016 0 C-N-CA 125.241 1.416 . . . . 13.210000000000001 108.506 -173.777 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.453 ' HE ' ' HB3' ' A' ' 6' ' ' PRO . 0.0 OUTLIER -80.56 146.34 31.31 Favored 'General case' 0 C--N 1.368 1.372 0 C-N-CA 129.528 3.131 . . . . 10.609999999999999 110.691 165.379 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.5 mmm180 -84.19 164.95 18.81 Favored 'General case' 0 C--N 1.369 1.424 0 C-N-CA 130.161 3.385 . . . . 8.1999999999999993 114.471 14.65 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 19.2 m -113.42 138.19 43.9 Favored 'Isoleucine or valine' 0 C--N 1.359 1.012 0 C-N-CA 127.429 2.292 . . . . 4.3600000000000003 109.372 -160.266 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -137.4 137.87 39.27 Favored 'General case' 0 N--CA 1.438 -1.037 0 N-CA-C 105.955 -1.869 . . . . 5.2400000000000002 105.955 175.172 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 -105.89 110.06 22.23 Favored 'General case' 0 C--N 1.365 1.258 0 C-N-CA 126.9 2.08 . . . . 1.53 108.122 166.731 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 43.9 m -131.41 -167.57 1.88 Allowed 'General case' 0 C--N 1.35 0.63 0 C-N-CA 128.444 2.697 . . . . 1.3100000000000001 106.589 174.409 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.84 -8.27 57.02 Favored 'General case' 0 C--N 1.37 1.459 0 C-N-CA 127.12 2.168 . . . . 3.73 116.376 -170.401 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.9 -34.29 51.55 Favored 'General case' 0 C--N 1.367 1.333 0 C-N-CA 126.804 2.042 . . . . 1.1299999999999999 112.703 171.554 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 42.9 mm-40 -77.39 -51.38 10.91 Favored 'General case' 0 C--N 1.366 1.304 0 C-N-CA 128.695 2.798 . . . . 0.85999999999999999 110.545 -171.929 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 75.6 p -64.93 -33.5 76.17 Favored 'General case' 0 C--N 1.368 1.397 0 C-N-CA 127.484 2.314 . . . . 1.1200000000000001 112.974 177.294 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -59.75 -64.48 0.93 Allowed 'General case' 0 C--N 1.372 1.569 0 C-N-CA 128.217 2.607 . . . . 1.22 112.928 175.023 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -67.28 -32.59 73.7 Favored 'General case' 0 C--N 1.375 1.711 0 N-CA-C 115.022 1.489 . . . . 1.0600000000000001 115.022 -174.029 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 98.1 mt -67.85 -39.25 83.83 Favored 'General case' 0 C--N 1.361 1.106 0 N-CA-C 116.039 1.866 . . . . 1.05 116.039 176.93 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -75.25 -29.25 60.14 Favored 'General case' 0 C--N 1.361 1.08 0 C-N-CA 126.904 2.082 . . . . 1.6599999999999999 114.597 177.659 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.8 mtm180 -69.17 -49.99 51.67 Favored 'General case' 0 C--N 1.374 1.649 0 C-N-CA 124.561 1.144 . . . . 2.54 112.181 176.574 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.456 0.0 OUTLIER -85.38 0.96 50.56 Favored 'General case' 0 C--N 1.375 1.705 0 N-CA-C 114.162 1.171 . . . . 1.8899999999999999 114.162 179.457 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -78.03 -35.72 49.41 Favored 'General case' 0 C--N 1.374 1.658 0 C-N-CA 125.803 1.641 . . . . 0.82999999999999996 113.206 162.46 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.3 mmm-85 -72.74 -33.82 66.64 Favored 'General case' 0 C--N 1.371 1.521 0 C-N-CA 125.859 1.664 . . . . 4.5700000000000003 114.442 172.978 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 67.1 tp60 -91.82 -26.64 18.43 Favored 'General case' 0 N--CA 1.433 -1.321 0 C-N-CA 127.968 2.507 . . . . 2.5299999999999998 112.695 -175.821 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 18.7 mm100 -143.33 137.62 28.91 Favored 'General case' 0 C--N 1.368 1.377 0 N-CA-C 107.812 -1.181 . . . . 2.04 107.812 -178.397 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . 2.131 0.4 OUTLIER -105.02 67.47 0.79 Allowed 'General case' 0 N--CA 1.5 2.042 0 C-N-CA 127.478 2.311 . . . . 4.25 110.046 154.576 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . 0.381 0.3 OUTLIER -148.24 -108.64 0.08 Allowed 'General case' 0 C--N 1.365 1.241 0 CA-C-O 115.842 -2.028 . . . . 5.9000000000000004 111.829 -167.316 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -135.22 158.5 44.21 Favored 'General case' 0 C--N 1.381 1.97 3 C-N-CA 141.266 7.826 . . . . 1.23 97.702 19.38 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 27.9 p -84.53 149.75 25.7 Favored 'General case' 0 C--N 1.375 1.696 0 O-C-N 119.632 -1.918 . . . . 2.04 111.125 -170.902 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.73 -39.24 75.94 Favored Pre-proline 0 C--N 1.365 1.256 0 N-CA-C 119.602 3.186 . . . . 1.23 119.602 -167.358 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_exo -66.49 -26.33 47.45 Favored 'Trans proline' 0 C--N 1.364 1.35 0 C-N-CA 124.748 3.632 . . . . 1.03 115.474 173.826 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -99.55 -14.36 19.06 Favored 'General case' 0 C--N 1.364 1.221 0 C-N-CA 125.76 1.624 . . . . 1.7 114.082 174.239 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.2 ptt180 -85.83 -40.5 15.94 Favored 'General case' 0 C--N 1.375 1.717 0 CA-C-N 121.315 1.87 . . . . 3.04 112.384 -176.403 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -77.13 -27.63 54.04 Favored 'General case' 0 C--N 1.37 1.469 0 C-N-CA 128.82 2.848 . . . . 1.74 111.669 178.266 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 42.7 t-80 -83.94 -25.15 30.34 Favored 'General case' 0 C--N 1.367 1.343 0 C-N-CA 127.625 2.37 . . . . 2.0099999999999998 111.456 -178.477 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -74.88 -31.78 61.69 Favored 'General case' 0 C--N 1.368 1.381 0 C-N-CA 128.127 2.571 . . . . 1.1899999999999999 112.052 170.91 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.5 -27.61 58.85 Favored 'General case' 0 C--N 1.364 1.203 0 C-N-CA 127.216 2.206 . . . . 1.0700000000000001 113.202 173.15 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 49.5 m -85.01 -27.45 26.41 Favored 'General case' 0 C--N 1.361 1.103 0 C-N-CA 126.196 1.798 . . . . 1.03 114.03 173.494 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 50.7 tp -74.39 -39.49 62.65 Favored 'General case' 0 C--N 1.362 1.152 0 C-N-CA 127.52 2.328 . . . . 2.3500000000000001 112.391 179.317 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.9 pt -106.21 -17.75 7.49 Favored 'Isoleucine or valine' 0 C--N 1.363 1.178 0 C-N-CA 124.078 0.951 . . . . 1.0700000000000001 112.099 -173.963 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 12.7 tpp180 87.74 65.01 0.01 OUTLIER 'General case' 0 C--N 1.374 1.656 0 C-N-CA 128.654 2.782 . . . . 3.6099999999999999 113.999 168.581 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 96.8 mt -138.3 -173.46 3.54 Favored 'General case' 0 C--N 1.36 1.062 0 C-N-CA 124.389 1.076 . . . . 1.1200000000000001 108.461 176.383 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.448 HG22 ' H ' ' A' ' 51' ' ' THR . 80.2 p -90.67 144.28 30.24 Favored Pre-proline 0 C--N 1.371 1.532 0 C-N-CA 126.273 1.829 . . . . 1.3600000000000001 109.715 175.447 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -62.07 -21.05 71.74 Favored 'Trans proline' 0 C--N 1.362 1.237 1 C-N-CA 126.032 4.488 . . . . 1.0 116.52 172.876 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.448 ' H ' HG22 ' A' ' 49' ' ' THR . 13.5 t -86.33 -27.25 24.43 Favored 'General case' 0 C--N 1.366 1.297 0 C-N-CA 126.082 1.753 . . . . 1.1299999999999999 111.114 -178.588 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -81.73 -32.45 31.57 Favored 'General case' 0 C--N 1.373 1.628 0 CA-C-N 119.185 0.902 . . . . 1.04 112.9 177.171 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.2 p -70.64 -38.35 72.9 Favored 'Isoleucine or valine' 0 C--N 1.376 1.751 0 C-N-CA 125.284 1.434 . . . . 1.0700000000000001 112.566 174.139 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.49 -50.61 72.51 Favored 'General case' 0 C--N 1.375 1.693 0 C-N-CA 126.895 2.078 . . . . 1.54 114.615 171.139 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.276 6.9 mt -84.1 -2.26 6.9 Favored 'Isoleucine or valine' 0 C--N 1.369 1.444 0 N-CA-C 114.642 1.349 . . . . 1.3200000000000001 114.642 177.623 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 31.9 t90 -74.43 -42.04 59.83 Favored 'General case' 0 C--N 1.379 1.858 0 C-N-CA 126.046 1.738 . . . . 0.28000000000000003 110.419 165.916 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -76.22 -19.56 58.27 Favored 'General case' 0 C--N 1.371 1.513 0 C-N-CA 125.005 1.322 . . . . 0.46000000000000002 113.628 175.946 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 18.8 tt0 -78.36 -35.98 46.69 Favored 'General case' 0 C--N 1.363 1.163 0 C-N-CA 127.153 2.181 . . . . 1.3400000000000001 112.996 173.135 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 60.0 m-20 -95.02 -26.63 16.0 Favored 'General case' 0 C--N 1.368 1.377 0 C-N-CA 125.474 1.51 . . . . 0.56000000000000005 114.083 -174.679 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -90.19 17.91 6.54 Favored 'General case' 0 C--N 1.367 1.344 0 C-N-CA 124.892 1.277 . . . . 2.3900000000000001 113.564 -175.591 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . 0.376 0.0 OUTLIER -85.2 -22.86 28.55 Favored 'General case' 0 C--N 1.375 1.674 0 C-N-CA 126.043 1.737 . . . . 3.79 113.139 171.989 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 45.0 p90 -163.93 122.06 1.85 Allowed 'General case' 0 N--CA 1.429 -1.502 0 N-CA-C 105.765 -1.939 . . . . 6.3799999999999999 105.765 125.476 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 48.1 tptt -125.02 79.45 1.79 Allowed 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 113.819 -1.537 . . . . 5.9000000000000004 107.235 84.607 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 23.9 m -76.19 5.38 6.97 Favored 'General case' 0 C--N 1.365 1.259 0 C-N-CA 130.19 3.396 . . . . 3.6800000000000002 118.81 -167.36 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.23 -119.14 0.06 Allowed 'General case' 0 C--N 1.366 1.311 0 C-N-CA 126.348 1.859 . . . . 8.1699999999999999 111.208 -170.543 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -172.14 -40.34 0.02 OUTLIER 'General case' 0 C--N 1.353 0.744 0 N-CA-C 105.749 -1.945 . . . . 11.25 105.749 -176.832 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -100.4 103.08 14.44 Favored 'General case' 0 C--N 1.365 1.243 0 C-N-CA 126.766 2.026 . . . . 9.0999999999999996 108.484 178.144 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -105.47 37.72 2.15 Favored 'General case' 0 C--N 1.363 1.154 0 C-N-CA 127.374 2.269 . . . . 9.5800000000000001 110.546 -179.605 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -152.35 56.7 0.82 Allowed 'General case' 0 N--CA 1.436 -1.149 0 C-N-CA 129.638 3.175 . . . . 12.300000000000001 103.369 -177.845 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . 0.397 1.9 pm0 -51.19 -82.28 0.01 OUTLIER 'General case' 0 C--N 1.368 1.388 0 C-N-CA 128.945 2.898 . . . . 12.57 118.395 178.213 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.75 133.52 39.76 Favored 'General case' 0 C--N 1.38 1.925 0 CA-C-N 122.384 2.356 . . . . 16.329999999999998 109.224 176.118 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 93.0 64.62 1.08 Allowed Glycine 0 C--N 1.361 1.929 0 C-N-CA 126.392 1.949 . . . . 15.41 109.175 -172.846 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . 2.315 0.7 OUTLIER -69.6 56.59 0.12 Allowed 'General case' 0 C--N 1.369 1.443 0 C-N-CA 130.839 3.656 . . . . 13.81 116.713 -164.686 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 59.0 mm-40 -97.02 67.61 2.23 Favored 'General case' 0 N--CA 1.444 -0.74 0 C-N-CA 131.069 3.748 . . . . 14.6 108.93 -178.383 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -171.82 99.61 0.14 Allowed Glycine 0 CA--C 1.494 -1.25 0 N-CA-C 103.857 -3.697 . . . . 15.93 103.857 -177.17 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 75.4 m80 -120.67 98.12 48.2 Favored Pre-proline 0 C--N 1.359 1.004 0 C-N-CA 125.374 1.47 . . . . 18.34 107.705 -170.029 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo . . . . . 0 C--O 1.262 1.718 0 C-N-CA 123.79 2.993 . . . . 17.68 109.445 -178.786 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.122 0 N-CA-C 110.449 -0.204 . . . . 17.23 110.449 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.2 p -152.57 17.41 0.61 Allowed 'General case' 0 C--N 1.361 1.094 0 N-CA-C 108.796 -0.816 . . . . 16.870000000000001 108.796 -179.509 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -164.43 49.34 0.12 Allowed 'General case' 0 C--N 1.361 1.09 0 N-CA-C 105.094 -2.188 . . . . 17.010000000000002 105.094 -179.985 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.81 -86.6 1.19 Allowed Glycine 0 C--N 1.365 2.183 0 C-N-CA 125.221 1.391 . . . . 15.789999999999999 111.37 -179.391 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 24.5 mt -121.11 166.95 14.32 Favored Pre-proline 0 C--N 1.366 1.296 0 N-CA-C 105.27 -2.122 . . . . 16.199999999999999 105.27 173.903 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -79.95 100.23 1.26 Allowed 'Trans proline' 0 C--N 1.365 1.415 0 C-N-CA 123.865 3.044 . . . . 14.32 109.785 173.188 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -104.07 80.67 1.76 Allowed 'General case' 0 C--N 1.363 1.186 0 C-N-CA 126.285 1.834 . . . . 15.539999999999999 108.35 -169.827 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.403 ' H ' ' H ' ' A' ' 9' ' ' LYS . 65.1 tttm -153.69 -16.07 0.14 Allowed 'General case' 0 C--N 1.354 0.779 0 N-CA-C 105.595 -2.002 . . . . 17.23 105.595 -178.529 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.403 ' H ' ' H ' ' A' ' 8' ' ' LYS . 20.5 ptmt -121.29 -8.16 9.23 Favored 'General case' 0 C--N 1.361 1.102 0 C-N-CA 127.402 2.281 . . . . 14.380000000000001 108.787 179.571 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 26.4 mmt85 -106.51 127.15 53.09 Favored 'General case' 0 C--N 1.366 1.31 0 C-N-CA 126.319 1.848 . . . . 13.85 108.232 -174.754 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . 0.257 67.5 mttm 82.86 -77.15 0.03 OUTLIER 'General case' 0 C--N 1.367 1.366 0 C-N-CA 129.073 2.949 . . . . 13.210000000000001 111.61 179.288 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.427 ' HG2' ' H ' ' A' ' 13' ' ' ARG . 10.7 ttp180 64.21 -162.17 0.28 Allowed 'General case' 0 C--N 1.366 1.322 0 C-N-CA 129.699 3.2 . . . . 10.609999999999999 117.488 167.211 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.427 ' H ' ' HG2' ' A' ' 12' ' ' ARG . 15.6 mmm180 -105.12 162.48 13.35 Favored 'General case' 0 C--N 1.361 1.086 0 C-N-CA 128.011 2.524 . . . . 8.1999999999999993 109.744 -177.095 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.5 m -139.04 137.77 41.96 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.169 0 C-N-CA 128.743 2.817 . . . . 4.3600000000000003 103.807 -171.168 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.2 mp -144.99 146.01 31.75 Favored 'General case' 0 C--N 1.356 0.869 0 N-CA-C 105.644 -1.984 . . . . 5.2400000000000002 105.644 -177.04 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 59.1 m-85 -106.01 97.32 7.15 Favored 'General case' 0 C--N 1.365 1.254 0 C-N-CA 127.987 2.515 . . . . 1.53 107.672 174.753 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.6 m -117.61 -166.96 1.25 Allowed 'General case' 0 C--N 1.35 0.59 0 C-N-CA 128.534 2.734 . . . . 1.3100000000000001 107.521 177.478 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.9 pttm -78.42 -6.58 55.69 Favored 'General case' 0 C--N 1.367 1.363 0 C-N-CA 127.24 2.216 . . . . 3.73 115.971 -171.501 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -78.96 -39.43 34.43 Favored 'General case' 0 C--N 1.366 1.307 0 C-N-CA 126.751 2.02 . . . . 1.1299999999999999 112.422 169.627 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 41.1 mm-40 -75.43 -46.42 32.84 Favored 'General case' 0 C--N 1.366 1.308 0 C-N-CA 128.782 2.833 . . . . 0.85999999999999999 111.834 -171.675 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 57.0 p -76.12 -27.93 57.27 Favored 'General case' 0 C--N 1.364 1.201 0 C-N-CA 126.413 1.885 . . . . 1.1200000000000001 111.95 -177.728 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 50.0 t80 -64.87 -52.45 56.5 Favored 'General case' 0 C--N 1.369 1.436 0 C-N-CA 127.595 2.358 . . . . 1.22 112.689 174.943 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -75.17 -33.29 61.46 Favored 'General case' 0 C--N 1.36 1.034 0 N-CA-C 115.84 1.792 . . . . 1.0600000000000001 115.84 -176.493 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 87.0 mt -72.71 -44.31 61.89 Favored 'General case' 0 C--N 1.363 1.161 0 C-N-CA 126.074 1.749 . . . . 1.05 114.535 178.198 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -69.81 -31.65 69.65 Favored 'General case' 0 C--N 1.364 1.226 0 C-N-CA 126.746 2.018 . . . . 1.6599999999999999 115.07 173.935 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.5 ptm180 -78.81 -29.03 44.58 Favored 'General case' 0 C--N 1.371 1.519 0 N-CA-C 115.085 1.513 . . . . 2.54 115.085 179.954 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 30.8 mmm-85 -79.72 -22.22 43.61 Favored 'General case' 0 C--N 1.369 1.42 0 C-N-CA 124.017 0.927 . . . . 1.8899999999999999 112.857 165.776 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -78.29 -32.43 49.41 Favored 'General case' 0 C--N 1.365 1.251 0 O-C-N 120.134 -1.604 . . . . 0.82999999999999996 114.048 179.308 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 11.4 mmt85 -79.53 -44.56 20.94 Favored 'General case' 0 C--N 1.366 1.298 0 C-N-CA 125.56 1.544 . . . . 4.5700000000000003 114.094 178.824 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 66.1 tp60 -90.98 -18.24 24.98 Favored 'General case' 0 C--N 1.363 1.167 0 C-N-CA 127.297 2.239 . . . . 2.5299999999999998 112.494 -173.478 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -142.59 178.98 7.25 Favored 'General case' 0 C--N 1.36 1.05 0 N-CA-C 108.451 -0.944 . . . . 2.04 108.451 -172.327 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 72.2 mtt85 -105.53 -77.57 0.59 Allowed 'General case' 0 C--N 1.367 1.355 0 N-CA-C 106.505 -1.665 . . . . 4.25 106.505 120.676 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . 0.382 15.6 t80 86.94 -55.98 0.05 OUTLIER 'General case' 0 C--N 1.361 1.081 1 C-N-CA 133.633 4.773 . . . . 5.9000000000000004 113.206 149.233 . . . . . . . . 3 2 . 1 . 028 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . 0.276 0.0 OUTLIER -58.65 107.84 0.56 Allowed 'General case' 0 C--N 1.354 0.799 0 C-N-CA 130.999 3.72 . . . . 1.23 114.146 178.32 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.4 t -110.46 -175.96 2.86 Favored 'General case' 0 C--N 1.363 1.189 0 N-CA-C 104.936 -2.246 . . . . 2.04 104.936 176.113 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . 0.255 . . -47.5 -45.78 57.99 Favored Pre-proline 0 C--N 1.365 1.264 0 N-CA-C 120.257 3.429 . . . . 1.23 120.257 -164.262 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_exo -68.83 -34.34 18.36 Favored 'Trans proline' 0 C--N 1.36 1.166 0 C-N-CA 124.285 3.323 . . . . 1.03 114.686 178.497 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -93.84 -13.11 27.63 Favored 'General case' 0 C--N 1.364 1.206 0 C-N-CA 126.53 1.932 . . . . 1.7 113.809 179.529 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 52.4 ttp180 -83.99 -28.5 27.69 Favored 'General case' 0 C--N 1.371 1.538 0 C-N-CA 127.007 2.123 . . . . 3.04 111.873 174.428 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 58.4 mm-40 -78.85 -21.52 47.46 Favored 'General case' 0 C--N 1.371 1.519 0 C-N-CA 126.696 1.998 . . . . 1.74 112.279 173.174 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 24.6 t60 -83.58 -28.21 28.7 Favored 'General case' 0 C--N 1.363 1.191 0 C-N-CA 128.015 2.526 . . . . 2.0099999999999998 111.35 177.983 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.52 -52.02 30.24 Favored 'General case' 0 C--N 1.37 1.465 0 C-N-CA 129.323 3.049 . . . . 1.1899999999999999 111.49 174.279 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.31 -32.16 73.67 Favored 'General case' 0 C--N 1.356 0.876 0 C-N-CA 129.849 3.26 . . . . 1.0700000000000001 116.07 177.355 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 75.5 m -85.17 -28.63 25.35 Favored 'General case' 0 C--N 1.362 1.132 0 C-N-CA 125.399 1.48 . . . . 1.03 113.568 176.584 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 37.0 tp -74.05 -34.27 64.01 Favored 'General case' 0 C--N 1.361 1.069 0 C-N-CA 126.17 1.788 . . . . 2.3500000000000001 113.321 175.529 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . 0.25 1.5 pt -106.13 -20.75 5.8 Favored 'Isoleucine or valine' 0 C--N 1.365 1.275 0 C-N-CA 124.506 1.122 . . . . 1.0700000000000001 112.162 -173.074 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.7 tpp180 94.78 58.59 0.0 OUTLIER 'General case' 0 C--N 1.378 1.822 0 C-N-CA 130.38 3.472 . . . . 3.6099999999999999 115.162 165.712 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 90.8 mt -130.85 -171.44 2.57 Favored 'General case' 0 C--N 1.358 0.977 0 O-C-N 120.85 -1.156 . . . . 1.1200000000000001 110.044 179.72 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 79.6 p -95.78 147.03 32.35 Favored Pre-proline 0 C--N 1.368 1.372 0 C-N-CA 127.814 2.445 . . . . 1.3600000000000001 108.786 177.897 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -61.11 -22.27 74.18 Favored 'Trans proline' 0 C--N 1.364 1.38 1 C-N-CA 126.146 4.564 . . . . 1.0 116.51 172.69 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.6 t -88.07 -27.34 22.03 Favored 'General case' 0 C--N 1.367 1.33 0 C-N-CA 126.017 1.727 . . . . 1.1299999999999999 111.125 -176.214 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -83.39 -33.25 25.81 Favored 'General case' 0 C--N 1.37 1.475 0 CA-C-N 119.681 1.128 . . . . 1.04 112.381 177.728 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.1 p -68.68 -40.58 81.84 Favored 'Isoleucine or valine' 0 C--N 1.379 1.856 0 C-N-CA 125.421 1.489 . . . . 1.0700000000000001 113.496 172.357 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.66 -50.17 74.07 Favored 'General case' 0 C--N 1.375 1.691 0 C-N-CA 129.013 2.925 . . . . 1.54 113.282 173.014 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.278 6.4 mt -85.83 -5.5 9.9 Favored 'Isoleucine or valine' 0 C--N 1.367 1.352 0 N-CA-C 114.758 1.392 . . . . 1.3200000000000001 114.758 -179.29 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 13.6 t90 -75.71 -44.0 44.22 Favored 'General case' 0 C--N 1.379 1.882 0 C-N-CA 125.397 1.479 . . . . 0.28000000000000003 110.626 168.88 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -82.99 -14.61 53.7 Favored 'General case' 0 C--N 1.372 1.574 0 C-N-CA 125.773 1.629 . . . . 0.46000000000000002 113.347 179.226 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -74.33 -41.25 61.42 Favored 'General case' 0 C--N 1.361 1.097 0 C-N-CA 126.946 2.099 . . . . 1.3400000000000001 113.279 172.736 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 50.4 m-20 -90.1 -23.4 21.4 Favored 'General case' 0 C--N 1.367 1.33 0 C-N-CA 125.91 1.684 . . . . 0.56000000000000005 113.633 -172.075 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 11.4 m80 -75.62 -34.78 60.6 Favored 'General case' 0 C--N 1.365 1.242 0 C-N-CA 126.476 1.91 . . . . 2.3900000000000001 115.411 -179.339 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -85.49 12.57 8.24 Favored 'General case' 0 C--N 1.365 1.259 0 C-N-CA 126.371 1.868 . . . . 3.79 115.485 -177.542 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . 2.459 6.8 t80 -177.73 76.77 0.02 OUTLIER 'General case' 0 CA--C 1.496 -1.107 0 N-CA-C 107.116 -1.439 . . . . 6.3799999999999999 107.116 150.833 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.405 ' HA ' ' HE3' ' A' ' 63' ' ' LYS . 0.0 OUTLIER 166.51 103.61 0.0 OUTLIER 'General case' 0 CA--C 1.506 -0.748 0 C-N-CA 131.05 3.74 . . . . 5.9000000000000004 104.851 147.035 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 20.6 p -79.0 70.95 5.42 Favored 'General case' 0 C--N 1.367 1.341 0 C-N-CA 130.806 3.642 . . . . 3.6800000000000002 115.111 -168.304 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 20.4 ptmt -74.15 26.22 0.08 Allowed 'General case' 0 C--N 1.347 0.483 1 C-N-CA 133.426 4.69 . . . . 8.1699999999999999 115.713 167.523 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.455 ' HG2' ' H ' ' A' ' 67' ' ' ALA . 41.2 ttp85 -107.93 -156.76 0.59 Allowed 'General case' 0 C--N 1.365 1.252 0 C-N-CA 126.144 1.778 . . . . 11.25 107.831 -173.0 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.455 ' H ' ' HG2' ' A' ' 66' ' ' ARG . . . -100.18 79.67 2.19 Favored 'General case' 0 C--N 1.367 1.344 0 C-N-CA 125.817 1.647 . . . . 9.0999999999999996 110.429 -178.09 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -106.27 107.46 18.48 Favored 'General case' 0 N--CA 1.442 -0.851 0 C-N-CA 127.412 2.285 . . . . 9.5800000000000001 107.092 164.839 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -125.1 64.97 1.13 Allowed 'General case' 0 CA--C 1.497 -1.096 0 N-CA-C 105.704 -1.962 . . . . 12.300000000000001 105.704 172.182 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.04 152.33 21.74 Favored 'General case' 0 C--N 1.362 1.149 0 CA-C-N 111.372 -2.649 . . . . 12.57 105.43 137.856 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 23.2 pttp -49.8 112.04 0.6 Allowed 'General case' 0 C--N 1.349 0.567 0 C-N-CA 130.578 3.551 . . . . 16.329999999999998 118.127 -156.326 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 83.93 77.86 1.12 Allowed Glycine 0 C--N 1.358 1.776 0 C-N-CA 128.907 3.146 . . . . 15.41 112.483 -177.219 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -66.04 -46.76 76.68 Favored 'General case' 0 C--N 1.367 1.335 0 C-N-CA 128.376 2.67 . . . . 13.81 116.168 -175.289 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -82.06 60.65 4.97 Favored 'General case' 0 C--N 1.348 0.541 0 C-N-CA 131.055 3.742 . . . . 14.6 111.328 167.991 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -123.4 -94.36 1.13 Allowed Glycine 0 C--N 1.355 1.621 0 N-CA-C 106.225 -2.75 . . . . 15.93 106.225 176.918 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 62.8 t-80 -127.77 99.13 26.61 Favored Pre-proline 0 C--N 1.362 1.114 0 N-CA-C 106.197 -1.779 . . . . 18.34 106.197 170.804 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo . . . . . 0 C--O 1.261 1.632 0 C-N-CA 123.571 2.847 . . . . 17.68 110.624 176.461 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.51 0.195 . . . . 17.23 110.81 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.3 t -144.47 23.87 1.6 Allowed 'General case' 0 C--N 1.36 1.044 0 N-CA-C 107.173 -1.418 . . . . 16.870000000000001 107.173 179.875 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -156.22 142.41 18.26 Favored 'General case' 0 C--N 1.364 1.198 0 N-CA-C 104.518 -2.401 . . . . 17.010000000000002 104.518 176.78 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.11 -139.21 2.7 Favored Glycine 0 C--N 1.356 1.665 0 N-CA-C 107.205 -2.358 . . . . 15.789999999999999 107.205 179.73 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -148.08 79.51 9.11 Favored Pre-proline 0 C--N 1.358 0.97 0 N-CA-C 107.508 -1.293 . . . . 16.199999999999999 107.508 179.593 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -90.21 82.58 0.49 Allowed 'Trans proline' 0 C--N 1.366 1.449 0 C-N-CA 123.094 2.529 . . . . 14.32 110.027 178.433 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -105.52 150.44 25.34 Favored 'General case' 0 C--N 1.362 1.124 0 C-N-CA 126.648 1.979 . . . . 15.539999999999999 109.722 -178.899 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -106.76 57.41 0.64 Allowed 'General case' 0 C--N 1.363 1.154 0 C-N-CA 126.461 1.904 . . . . 17.23 107.388 -178.654 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -124.03 -7.11 7.77 Favored 'General case' 0 C--N 1.362 1.121 0 C-N-CA 126.73 2.012 . . . . 14.380000000000001 107.83 -179.178 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.1 ptp85 -99.38 -28.93 13.05 Favored 'General case' 0 C--N 1.366 1.298 0 C-N-CA 127.333 2.253 . . . . 13.85 108.987 175.157 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . 2.422 41.5 mttp 152.36 -103.26 0.0 OUTLIER 'General case' 0 C--N 1.36 1.027 0 N-CA-C 105.659 -1.978 . . . . 13.210000000000001 105.659 172.835 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . 0.271 16.7 ptm180 40.91 82.51 0.02 OUTLIER 'General case' 0 C--N 1.371 1.511 0 C-N-CA 131.605 3.962 . . . . 10.609999999999999 119.389 174.355 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 48.5 mmm-85 -104.96 173.4 6.32 Favored 'General case' 0 C--N 1.368 1.371 0 C-N-CA 131.141 3.777 . . . . 8.1999999999999993 107.907 6.954 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.6 m -140.66 138.86 35.42 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.999 0 C-N-CA 128.075 2.55 . . . . 4.3600000000000003 104.853 -169.629 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -133.88 136.76 44.54 Favored 'General case' 0 N--CA 1.44 -0.971 0 N-CA-C 106.308 -1.738 . . . . 5.2400000000000002 106.308 -177.352 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 59.1 m-85 -106.24 96.14 6.26 Favored 'General case' 0 N--CA 1.433 -1.277 0 C-N-CA 128.17 2.588 . . . . 1.53 107.054 168.817 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.9 m -116.39 -166.76 1.18 Allowed 'General case' 0 C--N 1.349 0.557 0 C-N-CA 127.619 2.367 . . . . 1.3100000000000001 107.763 177.878 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.9 pptp? -75.66 -11.65 60.05 Favored 'General case' 0 C--N 1.368 1.391 0 C-N-CA 127.319 2.248 . . . . 3.73 116.046 -170.82 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -79.53 -37.09 37.38 Favored 'General case' 0 C--N 1.367 1.342 0 C-N-CA 126.863 2.065 . . . . 1.1299999999999999 112.575 172.54 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 45.9 mm-40 -75.56 -43.57 47.85 Favored 'General case' 0 C--N 1.368 1.395 0 C-N-CA 128.548 2.739 . . . . 0.85999999999999999 111.405 -174.516 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 61.0 p -73.31 -32.97 64.92 Favored 'General case' 0 C--N 1.366 1.319 0 C-N-CA 126.785 2.034 . . . . 1.1200000000000001 112.463 179.799 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -64.17 -50.36 68.46 Favored 'General case' 0 C--N 1.369 1.421 0 C-N-CA 127.798 2.439 . . . . 1.22 112.976 177.115 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -73.64 -35.6 65.31 Favored 'General case' 0 C--N 1.359 0.99 0 N-CA-C 115.394 1.628 . . . . 1.0600000000000001 115.394 -177.259 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 90.8 mt -70.43 -42.55 71.41 Favored 'General case' 0 C--N 1.363 1.186 0 C-N-CA 126.189 1.795 . . . . 1.05 114.667 178.509 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -68.47 -33.52 74.31 Favored 'General case' 0 C--N 1.363 1.167 0 C-N-CA 126.872 2.069 . . . . 1.6599999999999999 115.299 171.974 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.5 ptm180 -78.55 -27.03 45.79 Favored 'General case' 0 C--N 1.366 1.323 0 N-CA-C 115.896 1.813 . . . . 2.54 115.896 -177.544 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.269 1.6 mmm180 -78.07 -31.08 50.01 Favored 'General case' 0 C--N 1.369 1.442 0 C-N-CA 123.734 0.814 . . . . 1.8899999999999999 112.016 164.029 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -70.65 -25.44 63.01 Favored 'General case' 0 C--N 1.371 1.534 0 C-N-CA 126.932 2.093 . . . . 0.82999999999999996 114.52 -178.578 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 37.3 mmt-85 -79.31 -37.98 36.39 Favored 'General case' 0 C--N 1.366 1.326 0 C-N-CA 125.599 1.56 . . . . 4.5700000000000003 113.3 178.899 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 62.3 tp60 -91.14 -25.08 19.76 Favored 'General case' 0 C--N 1.364 1.225 0 C-N-CA 127.983 2.513 . . . . 2.5299999999999998 112.632 -175.116 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -159.66 154.12 23.99 Favored 'General case' 0 C--N 1.364 1.213 0 N-CA-C 107.297 -1.371 . . . . 2.04 107.297 -172.502 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 77.9 mtt85 -105.17 -35.69 7.51 Favored 'General case' 0 C--N 1.36 1.026 0 C-N-CA 125.163 1.385 . . . . 4.25 109.734 -179.634 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 -116.83 137.77 51.97 Favored 'General case' 0 C--N 1.358 0.977 0 C-N-CA 126.301 1.84 . . . . 5.9000000000000004 109.034 -178.222 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -148.26 116.2 6.41 Favored 'General case' 0 CA--C 1.5 -0.975 0 C-N-CA 128.843 2.857 . . . . 1.23 103.96 -174.459 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . 2.311 15.1 t -96.7 177.18 5.73 Favored 'General case' 0 C--N 1.375 1.701 0 C-N-CA 127.358 2.263 . . . . 2.04 107.259 -170.127 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . 2.281 . . -9.73 -76.32 0.0 OUTLIER Pre-proline 0 C--N 1.361 1.101 2 C-N-CA 133.015 4.526 . . . . 1.23 122.558 -178.761 . . . . . . . . 3 2 . 1 . 029 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -74.29 -40.34 1.24 Allowed 'Trans proline' 0 C--N 1.363 1.338 1 C-N-CA 125.603 4.202 . . . . 1.03 111.615 -160.646 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -81.16 -25.03 37.15 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 128.37 2.668 . . . . 1.7 114.94 174.272 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.36 -37.09 26.14 Favored 'General case' 0 C--N 1.38 1.935 0 CA-C-N 121.179 1.809 . . . . 3.04 112.26 -172.952 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -85.13 -19.12 32.3 Favored 'General case' 0 C--N 1.368 1.383 0 C-N-CA 127.575 2.35 . . . . 1.74 111.732 -178.673 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 57.4 t-80 -81.58 -23.35 37.16 Favored 'General case' 0 C--N 1.368 1.37 0 C-N-CA 127.625 2.37 . . . . 2.0099999999999998 112.252 175.033 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -69.48 -42.28 75.02 Favored 'General case' 0 C--N 1.368 1.41 0 C-N-CA 127.836 2.455 . . . . 1.1899999999999999 111.722 167.89 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.99 -32.16 71.52 Favored 'General case' 0 C--N 1.363 1.191 0 C-N-CA 127.815 2.446 . . . . 1.0700000000000001 115.789 173.599 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 66.4 m -83.95 -33.33 24.68 Favored 'General case' 0 C--N 1.361 1.076 0 C-N-CA 125.127 1.371 . . . . 1.03 113.976 -177.251 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 69.1 mt -84.21 -24.77 29.91 Favored 'General case' 0 C--N 1.359 1.003 0 C-N-CA 125.539 1.536 . . . . 2.3500000000000001 113.419 177.348 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.6 pt -95.2 -22.11 5.45 Favored 'Isoleucine or valine' 0 C--N 1.37 1.493 0 CA-C-N 119.116 0.871 . . . . 1.0700000000000001 112.276 176.392 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 85.47 63.55 0.01 OUTLIER 'General case' 0 C--N 1.373 1.599 0 C-N-CA 129.475 3.11 . . . . 3.6099999999999999 111.697 172.132 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 87.5 mt -139.19 -174.55 3.89 Favored 'General case' 0 C--N 1.361 1.075 0 N-CA-C 107.124 -1.436 . . . . 1.1200000000000001 107.124 170.9 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 81.6 p -95.82 148.51 34.67 Favored Pre-proline 0 C--N 1.368 1.398 0 C-N-CA 126.29 1.836 . . . . 1.3600000000000001 109.216 -179.04 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_exo -60.71 -20.95 67.86 Favored 'Trans proline' 0 C--N 1.367 1.537 1 C-N-CA 126.139 4.559 . . . . 1.0 116.471 171.911 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.6 t -87.05 -28.61 22.48 Favored 'General case' 0 C--N 1.367 1.329 0 C-N-CA 126.256 1.822 . . . . 1.1299999999999999 111.387 -177.395 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -83.84 -29.82 26.98 Favored 'General case' 0 C--N 1.373 1.612 0 CA-C-N 119.446 1.021 . . . . 1.04 112.916 177.484 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.1 p -68.61 -40.99 82.59 Favored 'Isoleucine or valine' 0 C--N 1.38 1.902 0 C-N-CA 124.962 1.305 . . . . 1.0700000000000001 111.737 170.883 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . 0.3 0.0 OUTLIER -65.33 -34.61 78.74 Favored 'General case' 0 C--N 1.37 1.472 0 N-CA-C 116.976 2.213 . . . . 1.54 116.976 171.243 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.278 0.3 OUTLIER -77.28 -15.49 14.47 Favored 'Isoleucine or valine' 0 C--N 1.384 2.091 0 CA-C-N 121.591 1.996 . . . . 1.3200000000000001 114.016 170.087 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 39.8 t90 -73.38 -41.34 63.48 Favored 'General case' 0 C--N 1.381 1.941 0 C-N-CA 125.569 1.548 . . . . 0.28000000000000003 112.415 175.4 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -83.51 -12.51 56.15 Favored 'General case' 0 C--N 1.369 1.414 0 C-N-CA 126.028 1.731 . . . . 0.46000000000000002 112.689 179.19 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -72.79 -44.04 62.02 Favored 'General case' 0 C--N 1.366 1.306 0 C-N-CA 127.01 2.124 . . . . 1.3400000000000001 112.603 164.975 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 45.2 m-20 -92.37 -13.78 29.64 Favored 'General case' 0 C--N 1.366 1.322 0 N-CA-C 116.514 2.042 . . . . 0.56000000000000005 116.514 -164.566 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.544 ' CE1' HG22 ' A' ' 64' ' ' THR . 3.7 t-80 -71.33 -68.48 0.44 Allowed 'General case' 0 C--N 1.365 1.263 0 CA-C-N 120.583 1.538 . . . . 2.3900000000000001 112.761 166.453 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . 0.351 0.0 OUTLIER -27.86 40.36 0.0 OUTLIER 'General case' 0 C--N 1.367 1.347 1 C-N-CA 136.894 6.078 . . . . 3.79 119.822 -144.076 . . . . . . . . 4 3 . 1 . 029 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -130.32 -120.67 0.22 Allowed 'General case' 0 C--N 1.364 1.196 0 C-N-CA 127.843 2.457 . . . . 6.3799999999999999 105.772 -178.947 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . 2.268 0.0 OUTLIER -90.11 -40.75 12.06 Favored 'General case' 0 CA--C 1.5 -0.954 0 C-N-CA 130.771 3.629 . . . . 5.9000000000000004 113.689 -162.81 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.544 HG22 ' CE1' ' A' ' 60' ' ' HIS . 0.7 OUTLIER -44.59 -19.12 0.02 OUTLIER 'General case' 0 C--N 1.368 1.379 0 N-CA-C 121.282 3.808 . . . . 3.6800000000000002 121.282 -119.447 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . 2.311 0.0 OUTLIER -29.79 -51.94 0.13 Allowed 'General case' 0 C--N 1.372 1.584 1 C-N-CA 134.752 5.221 . . . . 8.1699999999999999 119.194 -176.094 . . . . . . . . 4 3 . 1 . 029 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 79.8 ttt-85 -108.57 149.87 28.27 Favored 'General case' 0 C--N 1.362 1.123 0 C-N-CA 126.461 1.904 . . . . 11.25 107.371 177.538 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -95.5 108.95 21.22 Favored 'General case' 0 C--N 1.363 1.179 0 C-N-CA 126.837 2.055 . . . . 9.0999999999999996 108.629 179.395 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -100.59 91.48 4.68 Favored 'General case' 0 C--N 1.362 1.133 0 C-N-CA 125.654 1.582 . . . . 9.5800000000000001 109.181 -175.07 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 32.9 t30 -154.1 66.2 0.72 Allowed 'General case' 0 N--CA 1.442 -0.871 0 N-CA-C 105.008 -2.219 . . . . 12.300000000000001 105.008 -178.138 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . 0.281 5.6 mp0 -75.67 82.13 2.66 Favored 'General case' 0 C--N 1.368 1.406 0 CA-C-O 123.23 1.49 . . . . 12.57 114.948 173.251 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 32.5 mmmt -167.0 8.92 0.03 OUTLIER 'General case' 0 CA--C 1.496 -1.129 0 CA-C-N 111.005 -2.816 . . . . 16.329999999999998 114.023 -163.069 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 96.6 55.47 1.24 Allowed Glycine 0 N--CA 1.466 0.656 0 C-N-CA 126.439 1.971 . . . . 15.41 112.52 -179.204 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . 0.305 11.3 p90 -73.78 -62.05 1.63 Allowed 'General case' 0 C--N 1.363 1.177 0 C-N-CA 127.777 2.431 . . . . 13.81 114.11 179.04 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -99.45 46.62 0.97 Allowed 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 129.289 3.036 . . . . 14.6 111.355 172.394 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 178.63 -153.46 12.73 Favored Glycine 0 C--N 1.355 1.587 0 N-CA-C 106.994 -2.443 . . . . 15.93 106.994 179.938 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 21.8 p80 -108.21 147.81 36.32 Favored Pre-proline 0 C--N 1.361 1.088 0 C-N-CA 126.107 1.763 . . . . 18.34 108.232 179.805 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 70.8 Cg_exo . . . . . 0 C--O 1.261 1.652 0 C-N-CA 123.681 2.921 . . . . 17.68 111.218 172.706 . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.321 0 N-CA-C 110.304 -0.258 . . . . 17.23 110.304 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.2 m -137.23 27.15 2.88 Favored 'General case' 0 C--N 1.361 1.087 0 C-N-CA 125.529 1.532 . . . . 16.870000000000001 107.101 179.738 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -128.46 99.95 5.59 Favored 'General case' 0 C--N 1.368 1.391 0 N-CA-C 106.221 -1.77 . . . . 17.010000000000002 106.221 -179.611 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.97 -157.05 7.06 Favored Glycine 0 C--N 1.359 1.837 0 N-CA-C 107.149 -2.381 . . . . 15.789999999999999 107.149 178.241 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.9 mp -132.83 81.13 59.19 Favored Pre-proline 0 C--N 1.361 1.102 0 C-N-CA 124.9 1.28 . . . . 16.199999999999999 108.924 178.842 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_endo -89.06 82.13 0.7 Allowed 'Trans proline' 0 C--N 1.364 1.345 0 C-N-CA 123.66 2.907 . . . . 14.32 109.143 167.242 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 56.5 t30 -154.63 -113.73 0.03 OUTLIER 'General case' 0 C--N 1.359 1.002 0 N-CA-C 104.228 -2.508 . . . . 15.539999999999999 104.228 -175.57 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -118.14 156.99 27.74 Favored 'General case' 0 C--N 1.362 1.126 0 C-N-CA 125.987 1.715 . . . . 17.23 107.011 178.741 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 59.2 tptt -133.5 -32.56 1.14 Allowed 'General case' 0 C--N 1.356 0.869 0 N-CA-C 105.16 -2.163 . . . . 14.380000000000001 105.16 174.242 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.93 161.72 35.92 Favored 'General case' 0 C--N 1.358 0.969 0 N-CA-C 104.844 -2.28 . . . . 13.85 104.844 177.571 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -124.84 135.56 53.02 Favored 'General case' 0 C--N 1.36 1.036 0 N-CA-C 106.652 -1.61 . . . . 13.210000000000001 106.652 177.995 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.5 ' HA ' ' HA ' ' A' ' 13' ' ' ARG 2.206 44.8 mtm105 -44.07 -119.42 0.0 OUTLIER 'General case' 0 C--N 1.363 1.195 1 C-N-CA 132.918 4.487 . . . . 10.609999999999999 120.922 -173.543 . . . . . . . . 4 3 . 1 . 030 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.5 ' HA ' ' HA ' ' A' ' 12' ' ' ARG . 22.9 mmm180 -100.65 179.45 4.42 Favored 'General case' 0 C--N 1.374 1.669 0 C-N-CA 130.429 3.492 . . . . 8.1999999999999993 107.973 4.164 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 2.027 4.9 m -66.82 -84.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.364 1.217 0 C-N-CA 129.461 3.104 . . . . 4.3600000000000003 115.656 -154.661 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -56.72 137.48 54.27 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 130.838 3.655 . . . . 5.2400000000000002 115.74 -168.521 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 13.6 m-30 -95.79 146.85 24.21 Favored 'General case' 0 C--N 1.361 1.084 0 C-N-CA 127.727 2.411 . . . . 1.53 112.053 -161.096 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 36.3 m -116.46 -168.93 1.53 Allowed 'General case' 0 C--N 1.365 1.278 0 C-N-CA 127.247 2.219 . . . . 1.3100000000000001 107.371 173.721 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 36.3 mttp -85.05 19.99 2.01 Favored 'General case' 0 C--N 1.37 1.46 0 C-N-CA 127.12 2.168 . . . . 3.73 114.692 -169.662 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.33 -49.48 8.11 Favored 'General case' 0 C--N 1.36 1.033 0 C-N-CA 126.65 1.98 . . . . 1.1299999999999999 112.157 154.455 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 40.1 mm-40 -78.59 -48.8 14.45 Favored 'General case' 0 C--N 1.368 1.372 0 C-N-CA 128.671 2.788 . . . . 0.85999999999999999 112.43 -166.704 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 70.3 p -70.75 -30.23 66.68 Favored 'General case' 0 C--N 1.369 1.436 0 C-N-CA 127.863 2.465 . . . . 1.1200000000000001 112.358 179.57 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 51.8 t80 -67.07 -49.8 63.85 Favored 'General case' 0 C--N 1.365 1.263 0 C-N-CA 129.146 2.978 . . . . 1.22 112.882 179.121 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -72.52 -37.1 68.44 Favored 'General case' 0 C--N 1.361 1.078 0 C-N-CA 126.216 1.807 . . . . 1.0600000000000001 115.501 -178.846 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 94.4 mt -69.5 -41.7 75.72 Favored 'General case' 0 C--N 1.363 1.165 0 C-N-CA 125.881 1.672 . . . . 1.05 114.807 177.769 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -71.0 -32.82 69.73 Favored 'General case' 0 C--N 1.364 1.22 0 C-N-CA 126.201 1.8 . . . . 1.6599999999999999 114.862 175.136 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.2 ptp180 -74.26 -40.61 62.23 Favored 'General case' 0 C--N 1.375 1.715 0 N-CA-C 114.727 1.38 . . . . 2.54 114.727 179.216 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.613 3.1 ptm180 -86.43 2.67 46.88 Favored 'General case' 0 C--N 1.367 1.34 0 N-CA-C 116.215 1.931 . . . . 1.8899999999999999 116.215 176.883 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 27.8 t80 -78.35 -42.39 30.63 Favored 'General case' 0 C--N 1.381 1.957 0 C-N-CA 126.587 1.955 . . . . 0.82999999999999996 112.888 152.349 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.75 -29.33 62.16 Favored 'General case' 0 C--N 1.368 1.394 0 C-N-CA 126.878 2.071 . . . . 4.5700000000000003 113.094 -176.421 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 62.9 tp60 -87.84 -27.53 22.19 Favored 'General case' 0 C--N 1.367 1.349 0 C-N-CA 127.622 2.369 . . . . 2.5299999999999998 112.182 -179.824 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -169.74 163.76 9.92 Favored 'General case' 0 C--N 1.369 1.432 0 CA-C-O 122.19 0.995 . . . . 2.04 109.416 178.634 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.579 HH12 ' HE ' ' A' ' 61' ' ' ARG . 5.4 mtp-105 -105.42 -38.79 6.36 Favored 'General case' 0 C--N 1.355 0.823 0 C-N-CA 127.241 2.216 . . . . 4.25 113.512 -177.142 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 51.9 p90 -77.83 -24.06 48.8 Favored 'General case' 0 C--N 1.365 1.264 0 N-CA-C 116.754 2.131 . . . . 5.9000000000000004 116.754 -150.432 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.45 HD12 ' HB2' ' A' ' 39' ' ' ARG 0.263 0.5 OUTLIER -33.22 106.57 0.04 OUTLIER 'General case' 0 N--CA 1.487 1.423 1 C-N-CA 132.899 4.48 . . . . 1.23 116.891 -164.398 . . . . . . . . 5 4 . 1 . 030 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 14.4 m -110.55 171.2 7.6 Favored 'General case' 0 C--N 1.355 0.843 0 C-N-CA 129.776 3.23 . . . . 2.04 106.03 -173.985 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -39.09 -37.76 0.61 Allowed Pre-proline 0 C--N 1.368 1.396 1 N-CA-C 122.122 4.119 . . . . 1.23 122.122 -164.995 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo -65.62 -33.56 44.86 Favored 'Trans proline' 0 C--N 1.358 1.032 0 C-N-CA 124.403 3.402 . . . . 1.03 115.502 175.619 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -103.81 -24.69 13.29 Favored 'General case' 0 C--N 1.362 1.129 0 C-N-CA 126.393 1.877 . . . . 1.7 114.865 177.646 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.45 ' HB2' HD12 ' A' ' 34' ' ' LEU . 0.7 OUTLIER -82.22 -35.27 28.41 Favored 'General case' 0 C--N 1.374 1.661 0 C-N-CA 126.226 1.811 . . . . 3.04 111.153 -176.75 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -83.0 -20.49 35.01 Favored 'General case' 0 C--N 1.373 1.602 0 C-N-CA 126.222 1.809 . . . . 1.74 112.293 179.032 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 23.1 t60 -78.44 -28.31 46.67 Favored 'General case' 0 C--N 1.367 1.338 0 C-N-CA 128.155 2.582 . . . . 2.0099999999999998 111.187 175.722 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -71.95 -38.72 69.73 Favored 'General case' 0 C--N 1.37 1.492 0 C-N-CA 127.802 2.441 . . . . 1.1899999999999999 112.73 170.902 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -74.7 -28.72 60.94 Favored 'General case' 0 C--N 1.361 1.104 0 C-N-CA 127.392 2.277 . . . . 1.0700000000000001 113.877 -179.387 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 59.2 m -85.18 -29.34 24.81 Favored 'General case' 0 C--N 1.361 1.078 0 C-N-CA 126.122 1.769 . . . . 1.03 113.53 175.08 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -75.11 -36.82 61.64 Favored 'General case' 0 C--N 1.364 1.23 0 C-N-CA 127.183 2.193 . . . . 2.3500000000000001 112.515 177.222 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.5 pt -103.14 -19.27 6.24 Favored 'Isoleucine or valine' 0 C--N 1.366 1.294 0 C-N-CA 124.277 1.031 . . . . 1.0700000000000001 112.355 -173.922 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 13.2 tpp85 83.24 66.93 0.02 OUTLIER 'General case' 0 C--N 1.372 1.562 0 C-N-CA 128.995 2.918 . . . . 3.6099999999999999 113.313 174.102 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 86.5 mt -141.55 -170.35 3.08 Favored 'General case' 0 C--N 1.359 1.014 0 N-CA-C 107.095 -1.446 . . . . 1.1200000000000001 107.095 173.746 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.428 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 18.8 p -109.71 158.49 34.66 Favored Pre-proline 0 C--N 1.367 1.352 0 C-N-CA 126.275 1.83 . . . . 1.3600000000000001 110.538 -175.649 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 49' ' ' THR . 88.7 Cg_exo -67.04 -25.26 44.27 Favored 'Trans proline' 0 C--N 1.373 1.86 1 C-N-CA 125.866 4.377 . . . . 1.0 115.765 -174.78 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 12.4 t -87.3 -26.92 23.19 Favored 'General case' 0 C--N 1.365 1.253 0 C-N-CA 127.035 2.134 . . . . 1.1299999999999999 111.132 -173.896 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -84.6 -33.79 23.29 Favored 'General case' 0 C--N 1.371 1.51 0 C-N-CA 124.239 1.016 . . . . 1.04 112.442 178.697 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.1 p -67.55 -36.89 77.65 Favored 'Isoleucine or valine' 0 C--N 1.381 1.944 0 C-N-CA 124.432 1.093 . . . . 1.0700000000000001 113.013 168.627 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.9 -56.96 9.79 Favored 'General case' 0 C--N 1.37 1.499 0 C-N-CA 128.606 2.762 . . . . 1.54 115.162 168.849 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.271 7.2 mt -84.22 -8.36 11.21 Favored 'Isoleucine or valine' 0 C--N 1.367 1.366 0 N-CA-C 115.009 1.485 . . . . 1.3200000000000001 115.009 -176.448 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 57.1 t90 -75.45 -43.42 49.64 Favored 'General case' 0 C--N 1.378 1.827 0 C-N-CA 124.747 1.219 . . . . 0.28000000000000003 110.864 167.775 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -82.24 -12.89 57.8 Favored 'General case' 0 C--N 1.368 1.389 0 C-N-CA 126.593 1.957 . . . . 0.46000000000000002 113.038 -179.261 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -77.67 -42.84 33.22 Favored 'General case' 0 C--N 1.363 1.185 0 C-N-CA 127.532 2.333 . . . . 1.3400000000000001 111.911 172.425 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 69.6 m-20 -87.69 -20.1 26.74 Favored 'General case' 0 C--N 1.366 1.298 0 C-N-CA 126.458 1.903 . . . . 0.56000000000000005 113.027 -175.868 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 5.9 m80 -87.14 -15.24 38.98 Favored 'General case' 0 C--N 1.365 1.254 0 C-N-CA 125.917 1.687 . . . . 2.3900000000000001 114.338 178.895 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.579 ' HE ' HH12 ' A' ' 32' ' ' ARG . 8.5 ptm180 -89.25 51.79 2.22 Favored 'General case' 0 C--N 1.366 1.312 0 C-N-CA 126.049 1.74 . . . . 3.79 111.328 156.114 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER 169.47 110.02 0.01 OUTLIER 'General case' 0 CA--C 1.495 -1.163 0 N-CA-C 101.758 -3.423 . . . . 6.3799999999999999 101.758 54.615 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -127.17 82.06 2.06 Favored 'General case' 0 N--CA 1.443 -0.781 0 N-CA-C 105.752 -1.944 . . . . 5.9000000000000004 105.752 102.087 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 14.6 m -45.84 -29.92 1.52 Allowed 'General case' 0 C--N 1.365 1.281 1 C-N-CA 135.589 5.556 . . . . 3.6800000000000002 119.089 -173.905 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.19 -123.33 0.07 Allowed 'General case' 0 C--N 1.371 1.511 0 C-N-CA 126.748 2.019 . . . . 8.1699999999999999 110.108 170.085 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 86.5 mmt-85 -145.03 81.05 1.63 Allowed 'General case' 0 C--N 1.355 0.841 0 N-CA-C 102.677 -3.083 . . . . 11.25 102.677 178.738 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . 2.336 . . -73.72 -145.77 0.02 OUTLIER 'General case' 0 C--N 1.363 1.157 0 C-N-CA 128.609 2.764 . . . . 9.0999999999999996 117.442 -166.563 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -102.16 139.56 37.61 Favored 'General case' 0 C--N 1.371 1.542 0 C-N-CA 131.018 3.727 . . . . 9.5800000000000001 110.436 9.525 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 38.8 t30 -160.5 85.7 0.72 Allowed 'General case' 0 N--CA 1.436 -1.141 0 N-CA-C 104.533 -2.395 . . . . 12.300000000000001 104.533 -178.318 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . 2.22 0.0 OUTLIER -49.61 -114.53 0.0 OUTLIER 'General case' 0 C--N 1.356 0.878 0 C-N-CA 129.93 3.292 . . . . 12.57 117.173 153.712 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . 2.264 97.1 mttt -50.06 -118.32 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.62 0 C-N-CA 130.081 3.352 . . . . 16.329999999999998 117.341 175.257 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -132.32 42.32 1.4 Allowed Glycine 0 C--N 1.358 1.799 0 N-CA-C 110.428 -1.069 . . . . 15.41 110.428 -176.589 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 50.5 m-85 -88.56 -20.95 24.37 Favored 'General case' 0 C--N 1.366 1.323 0 N-CA-C 117.889 2.552 . . . . 13.81 117.889 -166.353 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -108.26 64.9 0.62 Allowed 'General case' 0 N--CA 1.443 -0.789 0 C-N-CA 128.169 2.588 . . . . 14.6 107.813 176.887 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -172.23 144.25 7.89 Favored Glycine 0 C--N 1.355 1.619 0 N-CA-C 106.347 -2.701 . . . . 15.93 106.347 -178.735 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 53.9 t-80 -96.63 -42.61 0.26 Allowed Pre-proline 0 C--N 1.362 1.135 0 CA-C-O 116.085 -1.912 . . . . 18.34 112.814 -177.077 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo . . . . . 0 C--O 1.261 1.63 0 CA-C-N 125.102 2.858 . . . . 17.68 111.117 175.139 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . 0.275 7.5 m . . . . . 0 N--CA 1.467 0.421 0 N-CA-C 111.418 0.155 . . . . 1.31 111.418 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.7 pttp -75.89 -10.37 59.37 Favored 'General case' 0 C--N 1.369 1.441 0 N-CA-C 117.758 2.503 . . . . 3.73 117.758 -157.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -83.24 -41.05 18.81 Favored 'General case' 0 C--N 1.362 1.15 0 C-N-CA 125.62 1.568 . . . . 1.13 111.999 167.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 57.7 mm-40 -75.77 -44.31 42.15 Favored 'General case' 0 C--N 1.368 1.39 0 C-N-CA 128.422 2.689 . . . . 0.86 111.445 -173.036 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 61.6 p -73.03 -26.59 61.36 Favored 'General case' 0 C--N 1.369 1.417 0 C-N-CA 127.637 2.375 . . . . 1.12 112.509 179.01 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 53.0 t80 -67.58 -52.68 35.66 Favored 'General case' 0 C--N 1.371 1.507 0 C-N-CA 127.825 2.45 . . . . 1.22 112.316 176.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -71.9 -35.19 69.63 Favored 'General case' 0 C--N 1.363 1.163 0 N-CA-C 115.469 1.655 . . . . 1.06 115.469 -177.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 93.9 mt -72.18 -40.96 67.55 Favored 'General case' 0 C--N 1.359 0.998 0 C-N-CA 126.035 1.734 . . . . 1.05 114.962 178.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -71.4 -30.98 66.73 Favored 'General case' 0 C--N 1.361 1.088 0 C-N-CA 125.598 1.559 . . . . 1.66 115.135 172.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.1 ptm180 -78.64 -26.94 45.26 Favored 'General case' 0 C--N 1.371 1.511 0 N-CA-C 114.735 1.384 . . . . 2.54 114.735 -178.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 39.8 mmm-85 -79.02 -27.09 43.21 Favored 'General case' 0 C--N 1.368 1.399 0 C-N-CA 124.038 0.935 . . . . 1.89 112.939 163.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -73.86 -17.81 61.01 Favored 'General case' 0 C--N 1.369 1.45 0 CA-C-N 120.535 1.516 . . . . 0.83 114.301 177.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 39.0 mmt-85 -83.8 -46.18 12.49 Favored 'General case' 0 C--N 1.365 1.28 0 C-N-CA 125.961 1.704 . . . . 4.57 112.676 174.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 68.2 tp60 -90.94 -23.99 20.29 Favored 'General case' 0 C--N 1.367 1.362 0 C-N-CA 127.474 2.309 . . . . 2.53 113.102 -174.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -126.47 170.74 11.67 Favored 'General case' 0 C--N 1.365 1.272 0 C-N-CA 125.07 1.348 . . . . 2.04 108.162 -177.066 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 62.8 mtt85 -107.12 -41.48 5.14 Favored 'General case' 0 C--N 1.361 1.07 0 C-N-CA 126.836 2.054 . . . . 4.25 110.381 165.084 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 33.6 p90 -144.52 152.37 40.49 Favored 'General case' 0 C--N 1.36 1.025 0 C-N-CA 127.157 2.183 . . . . 5.9 106.337 -161.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -150.36 120.93 7.45 Favored 'General case' 0 N--CA 1.441 -0.875 0 N-CA-C 104.212 -2.514 . . . . 1.23 104.212 -174.335 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.6 p -84.35 162.93 19.86 Favored 'General case' 0 C--N 1.372 1.571 0 C-N-CA 127.886 2.474 . . . . 2.04 111.234 -173.065 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.26 -36.98 31.08 Favored Pre-proline 0 C--N 1.367 1.353 0 N-CA-C 120.466 3.506 . . . . 1.23 120.466 -170.306 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -67.51 -29.19 37.58 Favored 'Trans proline' 0 C--N 1.36 1.142 0 C-N-CA 124.082 3.188 . . . . 1.03 114.669 175.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.265 0.9 OUTLIER -104.45 -17.1 14.88 Favored 'General case' 0 C--N 1.361 1.091 0 C-N-CA 126.681 1.992 . . . . 1.7 114.974 178.611 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 56.0 ttp85 -82.96 -37.43 24.1 Favored 'General case' 0 C--N 1.376 1.727 0 C-N-CA 126.26 1.824 . . . . 3.04 112.164 178.097 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -77.96 -20.86 51.92 Favored 'General case' 0 C--N 1.367 1.34 0 C-N-CA 126.943 2.097 . . . . 1.74 112.351 177.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 34.9 t-80 -81.2 -28.89 34.73 Favored 'General case' 0 C--N 1.364 1.233 0 C-N-CA 128.374 2.669 . . . . 2.01 111.486 175.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -75.23 -30.59 60.59 Favored 'General case' 0 C--N 1.369 1.449 0 C-N-CA 128.444 2.698 . . . . 1.19 112.354 172.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.63 -27.2 34.26 Favored 'General case' 0 C--N 1.364 1.239 0 C-N-CA 127.67 2.388 . . . . 1.07 112.939 177.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 69.0 m -85.06 -26.15 27.16 Favored 'General case' 0 C--N 1.362 1.125 0 C-N-CA 126.215 1.806 . . . . 1.03 113.075 173.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 48.3 tp -75.33 -37.67 60.61 Favored 'General case' 0 C--N 1.362 1.148 0 C-N-CA 127.327 2.251 . . . . 2.35 112.434 176.127 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.0 pt -103.86 -21.49 5.25 Favored 'Isoleucine or valine' 0 C--N 1.366 1.311 0 C-N-CA 123.861 0.864 . . . . 1.07 112.27 -173.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 8.5 tpp180 83.69 68.72 0.02 OUTLIER 'General case' 0 C--N 1.371 1.505 0 C-N-CA 129.082 2.953 . . . . 3.61 113.812 175.225 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 77.2 mt -139.83 -172.52 3.41 Favored 'General case' 0 C--N 1.36 1.044 0 N-CA-C 107.844 -1.169 . . . . 1.12 107.844 171.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 66.8 p -94.6 149.54 36.66 Favored Pre-proline 0 C--N 1.371 1.515 0 C-N-CA 127.59 2.356 . . . . 1.36 108.712 179.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_exo -58.16 -24.63 67.69 Favored 'Trans proline' 0 C--N 1.362 1.252 1 C-N-CA 126.45 4.767 . . . . 1.0 117.123 171.099 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.3 t -89.06 -28.44 20.13 Favored 'General case' 0 C--N 1.365 1.255 0 C-N-CA 125.024 1.33 . . . . 1.13 111.546 -174.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -82.55 -31.62 29.02 Favored 'General case' 0 C--N 1.371 1.533 0 C-N-CA 124.274 1.03 . . . . 1.04 112.438 178.191 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 10.7 p -69.22 -43.12 81.65 Favored 'Isoleucine or valine' 0 C--N 1.378 1.834 0 C-N-CA 125.128 1.371 . . . . 1.07 113.295 171.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.58 -46.32 89.27 Favored 'General case' 0 C--N 1.374 1.673 0 C-N-CA 126.848 2.059 . . . . 1.54 115.078 175.668 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.287 8.2 mt -84.41 -6.46 10.31 Favored 'Isoleucine or valine' 0 C--N 1.369 1.421 0 N-CA-C 114.407 1.262 . . . . 1.32 114.407 176.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 31.9 t90 -71.77 -43.09 66.33 Favored 'General case' 0 C--N 1.381 1.937 0 CA-C-N 120.335 1.425 . . . . 0.28 111.421 165.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -79.32 -16.07 56.92 Favored 'General case' 0 C--N 1.372 1.553 0 C-N-CA 125.276 1.431 . . . . 0.46 113.648 178.362 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -76.27 -38.81 55.7 Favored 'General case' 0 C--N 1.363 1.161 0 C-N-CA 127.215 2.206 . . . . 1.34 112.865 170.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 55.0 m-20 -87.65 -19.79 27.23 Favored 'General case' 0 C--N 1.365 1.28 0 C-N-CA 126.262 1.825 . . . . 0.56 113.001 -173.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 8.5 m80 . . . . . 0 C--N 1.365 1.265 0 C-N-CA 126.554 1.942 . . . . 2.39 114.672 178.283 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.7 m . . . . . 0 C--O 1.232 0.184 0 N-CA-C 107.633 -1.247 . . . . 1.31 107.633 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 65.2 mttt -85.08 4.89 31.96 Favored 'General case' 0 C--N 1.367 1.343 0 C-N-CA 127.278 2.231 . . . . 3.73 113.875 -172.363 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -83.92 -37.51 22.25 Favored 'General case' 0 C--N 1.363 1.192 0 C-N-CA 126.689 1.996 . . . . 1.13 112.526 165.024 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 45.7 mm-40 -77.21 -51.9 10.15 Favored 'General case' 0 C--N 1.368 1.371 0 C-N-CA 129.033 2.933 . . . . 0.86 111.792 -170.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 72.5 p -65.11 -38.32 90.32 Favored 'General case' 0 C--N 1.371 1.528 0 C-N-CA 127.506 2.322 . . . . 1.12 113.093 178.081 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 48.9 t80 -58.73 -57.3 13.63 Favored 'General case' 0 C--N 1.37 1.488 0 C-N-CA 129.013 2.925 . . . . 1.22 112.815 177.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -67.46 -36.74 81.76 Favored 'General case' 0 C--N 1.367 1.348 0 C-N-CA 126.598 1.959 . . . . 1.06 115.169 -175.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 98.5 mt -66.93 -37.46 84.36 Favored 'General case' 0 C--N 1.364 1.239 0 C-N-CA 126.369 1.868 . . . . 1.05 115.664 176.355 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -76.51 -28.58 56.45 Favored 'General case' 0 C--N 1.361 1.097 0 C-N-CA 126.488 1.915 . . . . 1.66 114.516 176.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 11.0 mtm180 -69.6 -45.05 69.48 Favored 'General case' 0 C--N 1.377 1.77 0 C-N-CA 124.638 1.175 . . . . 2.54 112.442 176.495 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.296 43.4 mmm-85 -70.39 -30.16 66.99 Favored 'General case' 0 C--N 1.38 1.926 0 CA-C-N 115.448 -0.796 . . . . 1.89 112.063 -179.35 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 34.8 t80 -68.68 -35.53 77.34 Favored 'General case' 0 C--N 1.375 1.674 0 C-N-CA 127.879 2.472 . . . . 0.83 113.82 -178.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 11.4 mmm-85 -76.09 -23.05 54.94 Favored 'General case' 0 C--N 1.365 1.279 0 C-N-CA 125.387 1.475 . . . . 4.57 114.961 177.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -93.62 -27.18 16.73 Favored 'General case' 0 N--CA 1.434 -1.268 0 C-N-CA 128.383 2.673 . . . . 2.53 112.443 179.072 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -171.25 152.7 3.44 Favored 'General case' 0 C--N 1.367 1.349 0 N-CA-C 106.61 -1.626 . . . . 2.04 106.61 -168.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 90.3 mtt-85 -105.06 -34.07 8.09 Favored 'General case' 0 C--N 1.36 1.046 0 C-N-CA 124.6 1.16 . . . . 4.25 110.206 -179.243 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -113.99 137.1 52.15 Favored 'General case' 0 C--N 1.358 0.936 0 C-N-CA 126.189 1.796 . . . . 5.9 108.443 178.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -146.98 120.98 9.37 Favored 'General case' 0 CA--C 1.5 -0.944 0 N-CA-C 102.656 -3.09 . . . . 1.23 102.656 -175.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 28.4 p -92.4 166.4 12.58 Favored 'General case' 0 C--N 1.365 1.262 0 C-N-CA 127.278 2.231 . . . . 2.04 109.647 -170.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -46.78 -35.6 5.5 Favored Pre-proline 0 C--N 1.366 1.309 0 N-CA-C 120.761 3.615 . . . . 1.23 120.761 -171.035 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_exo -67.25 -31.46 35.57 Favored 'Trans proline' 0 C--N 1.36 1.154 0 C-N-CA 124.337 3.358 . . . . 1.03 115.186 173.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -103.49 -20.04 14.18 Favored 'General case' 0 C--N 1.362 1.137 0 C-N-CA 126.395 1.878 . . . . 1.7 114.798 177.027 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 43.0 ttp180 -81.0 -42.54 20.99 Favored 'General case' 0 C--N 1.373 1.59 0 C-N-CA 126.452 1.901 . . . . 3.04 111.711 -179.014 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -80.23 -21.21 43.09 Favored 'General case' 0 C--N 1.369 1.42 0 C-N-CA 126.78 2.032 . . . . 1.74 112.065 -178.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 44.7 t-80 -80.85 -28.01 36.24 Favored 'General case' 0 C--N 1.367 1.367 0 C-N-CA 127.935 2.494 . . . . 2.01 111.636 175.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -74.68 -30.44 61.58 Favored 'General case' 0 C--N 1.37 1.457 0 C-N-CA 128.258 2.623 . . . . 1.19 112.321 172.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -80.55 -27.52 37.53 Favored 'General case' 0 C--N 1.365 1.267 0 C-N-CA 127.871 2.468 . . . . 1.07 113.064 176.116 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 70.7 m -85.14 -26.01 27.11 Favored 'General case' 0 C--N 1.361 1.071 0 C-N-CA 126.235 1.814 . . . . 1.03 113.208 174.166 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -75.37 -39.33 59.35 Favored 'General case' 0 C--N 1.362 1.136 0 C-N-CA 127.699 2.4 . . . . 2.35 111.98 176.486 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.6 pt -103.06 -20.11 5.83 Favored 'Isoleucine or valine' 0 C--N 1.365 1.268 0 C-N-CA 123.666 0.787 . . . . 1.07 112.339 -173.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 8.2 tpp180 84.66 68.5 0.01 OUTLIER 'General case' 0 C--N 1.371 1.542 0 C-N-CA 129.136 2.975 . . . . 3.61 113.82 174.203 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 84.1 mt -138.16 -171.47 3.04 Favored 'General case' 0 C--N 1.36 1.028 0 N-CA-C 108.56 -0.904 . . . . 1.12 108.56 173.017 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 69.5 p -95.57 146.5 31.42 Favored Pre-proline 0 C--N 1.369 1.452 0 C-N-CA 127.58 2.352 . . . . 1.36 108.72 177.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_exo -59.01 -21.16 57.22 Favored 'Trans proline' 0 C--N 1.364 1.377 1 C-N-CA 126.476 4.784 . . . . 1.0 117.158 171.43 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.8 t -86.55 -31.02 21.47 Favored 'General case' 0 C--N 1.365 1.276 0 C-N-CA 126.407 1.883 . . . . 1.13 111.094 -176.564 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -84.47 -31.13 24.71 Favored 'General case' 0 C--N 1.369 1.436 0 CA-C-N 119.63 1.104 . . . . 1.04 112.906 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.6 p -68.62 -38.41 79.0 Favored 'Isoleucine or valine' 0 C--N 1.379 1.867 0 C-N-CA 124.653 1.181 . . . . 1.07 112.181 169.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.3 mmmt -55.92 -46.72 78.37 Favored 'General case' 0 C--N 1.371 1.525 0 N-CA-C 116.5 2.037 . . . . 1.54 116.5 170.376 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.252 3.2 mt -85.69 -9.05 11.26 Favored 'Isoleucine or valine' 0 C--N 1.371 1.507 0 N-CA-C 115.264 1.579 . . . . 1.32 115.264 178.572 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 30.1 t90 -74.85 -41.28 60.15 Favored 'General case' 0 C--N 1.378 1.843 0 CA-C-N 120.134 1.333 . . . . 0.28 110.691 169.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -85.23 -17.24 37.64 Favored 'General case' 0 C--N 1.366 1.3 0 C-N-CA 126.272 1.829 . . . . 0.46 114.316 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -85.08 -25.83 27.34 Favored 'General case' 0 C--N 1.364 1.209 0 C-N-CA 125.388 1.475 . . . . 1.34 112.102 177.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 48.4 m-20 -87.24 -41.3 13.81 Favored 'General case' 0 C--N 1.368 1.411 0 C-N-CA 125.647 1.579 . . . . 0.56 113.674 177.122 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 2.0 m80 . . . . . 0 C--N 1.363 1.188 0 N-CA-C 118.116 2.635 . . . . 2.39 118.116 -170.814 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 13.8 m . . . . . 0 CA--C 1.519 -0.241 0 N-CA-C 109.653 -0.499 . . . . 1.31 109.653 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.8 pttm -75.57 -6.7 51.61 Favored 'General case' 0 C--N 1.369 1.451 0 N-CA-C 117.218 2.303 . . . . 3.73 117.218 -163.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.6 -44.05 13.87 Favored 'General case' 0 C--N 1.362 1.145 0 C-N-CA 125.99 1.716 . . . . 1.13 111.868 167.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 46.5 mm-40 -78.56 -38.21 40.86 Favored 'General case' 0 C--N 1.368 1.392 0 C-N-CA 127.723 2.409 . . . . 0.86 111.508 -171.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 70.8 p -74.93 -29.62 61.0 Favored 'General case' 0 C--N 1.371 1.524 0 C-N-CA 127.185 2.194 . . . . 1.12 112.199 178.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 52.6 t80 -65.88 -51.12 61.45 Favored 'General case' 0 C--N 1.37 1.483 0 C-N-CA 128.265 2.626 . . . . 1.22 112.251 176.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -73.24 -34.93 66.13 Favored 'General case' 0 C--N 1.36 1.061 0 N-CA-C 115.408 1.633 . . . . 1.06 115.408 -177.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 93.8 mt -70.5 -41.64 72.37 Favored 'General case' 0 C--N 1.363 1.195 0 C-N-CA 126.028 1.731 . . . . 1.05 114.923 177.432 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -71.19 -31.02 67.13 Favored 'General case' 0 C--N 1.362 1.148 0 C-N-CA 126.032 1.733 . . . . 1.66 115.259 173.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.1 ptm180 -80.07 -24.7 40.45 Favored 'General case' 0 C--N 1.37 1.488 0 N-CA-C 115.128 1.529 . . . . 2.54 115.128 -179.156 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.275 36.3 mmm-85 -75.6 -31.71 60.03 Favored 'General case' 0 C--N 1.371 1.524 0 C-N-CA 123.6 0.76 . . . . 1.89 112.07 163.706 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -68.84 -35.14 76.59 Favored 'General case' 0 C--N 1.375 1.682 0 C-N-CA 127.04 2.136 . . . . 0.83 113.736 -173.166 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 31.8 mmt-85 -83.68 -14.94 50.59 Favored 'General case' 0 C--N 1.363 1.192 0 N-CA-C 113.854 1.057 . . . . 4.57 113.854 179.143 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 64.2 tp60 -92.61 -27.2 17.48 Favored 'General case' 0 C--N 1.367 1.342 0 C-N-CA 127.686 2.394 . . . . 2.53 112.292 174.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -171.1 151.65 3.28 Favored 'General case' 0 C--N 1.367 1.328 0 N-CA-C 105.425 -2.065 . . . . 2.04 105.425 -170.113 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.7 mmt85 -105.09 -33.02 8.43 Favored 'General case' 0 C--N 1.359 0.983 0 O-C-N 120.903 -1.123 . . . . 4.25 108.938 -177.261 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 37.7 p90 -114.34 141.28 47.82 Favored 'General case' 0 C--N 1.356 0.869 0 C-N-CA 126.765 2.026 . . . . 5.9 107.912 179.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -151.25 121.64 7.33 Favored 'General case' 0 CA--C 1.499 -1.017 0 N-CA-C 102.735 -3.061 . . . . 1.23 102.735 -173.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 28.3 p -89.43 168.37 12.26 Favored 'General case' 0 C--N 1.366 1.304 0 C-N-CA 127.393 2.277 . . . . 2.04 109.771 -170.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.28 -35.54 15.58 Favored Pre-proline 0 C--N 1.366 1.316 0 N-CA-C 120.255 3.428 . . . . 1.23 120.255 -172.243 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -67.82 -29.3 35.4 Favored 'Trans proline' 0 C--N 1.36 1.157 0 C-N-CA 124.238 3.292 . . . . 1.03 115.171 173.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -102.03 -22.09 14.34 Favored 'General case' 0 C--N 1.362 1.137 0 C-N-CA 126.771 2.028 . . . . 1.7 114.587 177.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 36.0 ttm180 -79.19 -42.44 26.06 Favored 'General case' 0 C--N 1.373 1.603 0 C-N-CA 127.139 2.176 . . . . 3.04 111.446 -178.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -80.32 -21.34 42.65 Favored 'General case' 0 C--N 1.368 1.403 0 C-N-CA 127.012 2.125 . . . . 1.74 112.188 -178.025 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 47.5 t-80 -81.05 -27.8 35.61 Favored 'General case' 0 C--N 1.366 1.303 0 C-N-CA 128.076 2.55 . . . . 2.01 111.536 176.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -74.55 -33.14 62.66 Favored 'General case' 0 C--N 1.367 1.358 0 C-N-CA 128.306 2.642 . . . . 1.19 112.408 172.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -80.01 -26.78 39.7 Favored 'General case' 0 C--N 1.365 1.268 0 C-N-CA 128.052 2.541 . . . . 1.07 113.226 178.014 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 69.5 m -85.13 -26.91 26.57 Favored 'General case' 0 C--N 1.361 1.067 0 C-N-CA 126.011 1.724 . . . . 1.03 112.956 174.011 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 48.8 tp -74.38 -38.4 63.16 Favored 'General case' 0 C--N 1.363 1.169 0 C-N-CA 127.6 2.36 . . . . 2.35 112.702 176.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.0 pt -105.13 -18.11 7.11 Favored 'Isoleucine or valine' 0 C--N 1.366 1.288 0 C-N-CA 123.886 0.874 . . . . 1.07 112.445 -174.234 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 24.0 tpt180 85.0 67.87 0.01 OUTLIER 'General case' 0 C--N 1.37 1.482 0 C-N-CA 129.008 2.923 . . . . 3.61 114.167 173.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 84.1 mt -137.86 -172.31 3.22 Favored 'General case' 0 C--N 1.36 1.033 0 C-N-CA 123.817 0.847 . . . . 1.12 108.82 173.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.436 HG22 ' H ' ' A' ' 51' ' ' THR . 71.4 p -94.72 146.87 32.2 Favored Pre-proline 0 C--N 1.368 1.403 0 C-N-CA 127.164 2.186 . . . . 1.36 109.219 176.581 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_exo -57.92 -23.54 60.17 Favored 'Trans proline' 0 C--N 1.364 1.358 1 C-N-CA 126.829 5.019 . . . . 1.0 117.332 170.431 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.436 ' H ' HG22 ' A' ' 49' ' ' THR . 14.2 t -85.63 -33.14 21.7 Favored 'General case' 0 C--N 1.364 1.235 0 C-N-CA 126.58 1.952 . . . . 1.13 110.837 -175.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -81.81 -31.33 31.79 Favored 'General case' 0 C--N 1.369 1.421 0 CA-C-N 119.566 1.075 . . . . 1.04 112.781 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.2 p -69.25 -38.68 78.08 Favored 'Isoleucine or valine' 0 C--N 1.381 1.941 0 C-N-CA 124.97 1.308 . . . . 1.07 112.192 171.608 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.0 tppt? -57.32 -44.08 83.9 Favored 'General case' 0 C--N 1.37 1.47 0 C-N-CA 127.993 2.517 . . . . 1.54 114.567 171.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.279 1.9 mt -86.46 -8.55 11.1 Favored 'Isoleucine or valine' 0 C--N 1.369 1.437 0 N-CA-C 115.732 1.753 . . . . 1.32 115.732 177.68 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 38.4 t90 -74.5 -41.68 60.27 Favored 'General case' 0 C--N 1.378 1.823 0 CA-C-N 120.0 1.273 . . . . 0.28 110.928 168.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -85.19 -10.0 57.15 Favored 'General case' 0 C--N 1.365 1.276 0 C-N-CA 126.731 2.012 . . . . 0.46 113.69 178.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -77.66 -41.38 38.47 Favored 'General case' 0 C--N 1.363 1.162 0 C-N-CA 125.899 1.679 . . . . 1.34 112.194 171.075 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 -91.21 -22.12 20.78 Favored 'General case' 0 C--N 1.366 1.29 0 C-N-CA 125.48 1.512 . . . . 0.56 114.106 -171.482 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 6.9 m80 . . . . . 0 C--N 1.364 1.226 0 N-CA-C 115.557 1.688 . . . . 2.39 115.557 -177.644 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 26.6 m . . . . . 0 CA--C 1.518 -0.258 0 N-CA-C 108.78 -0.822 . . . . 1.31 108.78 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 69.4 mttt -85.02 12.25 7.99 Favored 'General case' 0 C--N 1.372 1.563 0 C-N-CA 126.869 2.068 . . . . 3.73 114.445 -172.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.41 -48.81 8.65 Favored 'General case' 0 C--N 1.361 1.099 0 C-N-CA 126.774 2.029 . . . . 1.13 111.664 157.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 53.4 mm-40 -73.45 -45.66 52.98 Favored 'General case' 0 C--N 1.37 1.475 0 C-N-CA 128.802 2.841 . . . . 0.86 112.903 -173.256 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 58.5 p -73.31 -28.14 61.92 Favored 'General case' 0 C--N 1.367 1.359 0 C-N-CA 127.489 2.315 . . . . 1.12 112.13 179.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 34.1 t80 -66.33 -50.21 64.38 Favored 'General case' 0 C--N 1.37 1.473 0 C-N-CA 127.563 2.345 . . . . 1.22 112.522 176.192 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -74.2 -34.19 63.64 Favored 'General case' 0 C--N 1.363 1.178 0 N-CA-C 115.469 1.655 . . . . 1.06 115.469 -177.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 92.4 mt -70.17 -43.56 70.59 Favored 'General case' 0 C--N 1.364 1.209 0 C-N-CA 126.034 1.733 . . . . 1.05 114.726 177.434 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -69.31 -33.98 73.98 Favored 'General case' 0 C--N 1.363 1.179 0 C-N-CA 126.506 1.922 . . . . 1.66 114.421 174.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.5 ptm180 -80.31 -27.38 38.46 Favored 'General case' 0 C--N 1.373 1.606 0 N-CA-C 115.837 1.791 . . . . 2.54 115.837 -177.277 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.284 36.6 mmm-85 -74.67 -31.51 61.94 Favored 'General case' 0 C--N 1.371 1.53 0 C-N-CA 123.929 0.892 . . . . 1.89 111.747 167.615 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -68.12 -39.98 82.62 Favored 'General case' 0 C--N 1.378 1.808 0 C-N-CA 126.865 2.066 . . . . 0.83 113.671 -175.421 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.8 mmm-85 -71.9 -20.86 61.72 Favored 'General case' 0 C--N 1.366 1.306 0 C-N-CA 126.079 1.752 . . . . 4.57 115.26 178.024 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 85.4 mm-40 -98.07 -33.43 11.17 Favored 'General case' 0 C--N 1.359 1.022 0 C-N-CA 126.018 1.727 . . . . 2.53 112.917 177.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -162.53 150.39 14.07 Favored 'General case' 0 C--N 1.368 1.396 0 CA-C-N 120.345 1.43 . . . . 2.04 108.636 -172.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 72.2 mmt-85 -105.36 -34.42 7.85 Favored 'General case' 0 C--N 1.36 1.035 0 C-N-CA 126.187 1.795 . . . . 4.25 112.356 -175.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -86.3 -16.91 36.04 Favored 'General case' 0 C--N 1.359 1.02 0 C-N-CA 129.18 2.992 . . . . 5.9 116.005 -150.37 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . 0.359 0.0 OUTLIER -33.67 109.1 0.07 Allowed 'General case' 0 N--CA 1.496 1.849 1 C-N-CA 133.537 4.735 . . . . 1.23 115.614 -165.839 . . . . . . . . 4 3 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 30.7 p -100.32 170.85 8.15 Favored 'General case' 0 C--N 1.361 1.108 0 C-N-CA 128.515 2.726 . . . . 2.04 108.426 -169.036 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -42.6 -36.9 1.62 Allowed Pre-proline 0 C--N 1.367 1.343 0 N-CA-C 121.496 3.887 . . . . 1.23 121.496 -170.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_exo -66.9 -31.93 37.06 Favored 'Trans proline' 0 C--N 1.359 1.082 0 C-N-CA 124.256 3.304 . . . . 1.03 115.122 174.061 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -103.72 -22.82 13.5 Favored 'General case' 0 C--N 1.36 1.056 0 C-N-CA 126.937 2.095 . . . . 1.7 114.706 178.174 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 44.4 ttp180 -81.88 -38.0 26.02 Favored 'General case' 0 C--N 1.373 1.609 0 C-N-CA 126.681 1.992 . . . . 3.04 111.927 -178.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -81.59 -20.76 39.14 Favored 'General case' 0 C--N 1.37 1.466 0 C-N-CA 126.087 1.755 . . . . 1.74 112.172 179.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 48.0 t-80 -79.24 -28.28 42.45 Favored 'General case' 0 C--N 1.367 1.351 0 C-N-CA 128.213 2.605 . . . . 2.01 111.552 174.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -72.57 -36.13 68.11 Favored 'General case' 0 C--N 1.368 1.401 0 C-N-CA 128.719 2.807 . . . . 1.19 112.313 173.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.59 -28.88 41.05 Favored 'General case' 0 C--N 1.363 1.189 0 C-N-CA 128.226 2.611 . . . . 1.07 113.504 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 67.7 m -85.19 -26.71 26.61 Favored 'General case' 0 C--N 1.362 1.125 0 C-N-CA 126.179 1.791 . . . . 1.03 113.137 176.081 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -74.99 -39.13 61.41 Favored 'General case' 0 C--N 1.363 1.163 0 C-N-CA 127.357 2.263 . . . . 2.35 112.097 175.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.9 pt -101.06 -19.61 5.87 Favored 'Isoleucine or valine' 0 C--N 1.366 1.29 0 C-N-CA 123.832 0.853 . . . . 1.07 113.236 -174.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 11.0 tpp180 83.89 62.95 0.01 OUTLIER 'General case' 0 C--N 1.369 1.455 0 C-N-CA 128.945 2.898 . . . . 3.61 113.775 174.095 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 70.5 mt -137.32 -173.81 3.57 Favored 'General case' 0 C--N 1.36 1.057 0 N-CA-C 107.833 -1.173 . . . . 1.12 107.833 173.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 57.8 p -93.2 145.98 31.06 Favored Pre-proline 0 C--N 1.368 1.381 0 C-N-CA 127.327 2.251 . . . . 1.36 109.176 -177.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_exo -58.39 -22.66 59.58 Favored 'Trans proline' 0 C--N 1.363 1.328 1 C-N-CA 126.626 4.884 . . . . 1.0 117.237 170.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.9 t -87.9 -29.3 20.97 Favored 'General case' 0 C--N 1.364 1.239 0 C-N-CA 126.34 1.856 . . . . 1.13 111.165 -176.047 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -83.29 -34.09 25.81 Favored 'General case' 0 C--N 1.37 1.486 0 CA-C-N 119.488 1.04 . . . . 1.04 112.516 179.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.5 p -67.48 -39.8 83.23 Favored 'Isoleucine or valine' 0 C--N 1.379 1.859 0 C-N-CA 125.302 1.441 . . . . 1.07 112.584 169.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.07 -49.14 66.99 Favored 'General case' 0 C--N 1.371 1.534 0 C-N-CA 127.167 2.187 . . . . 1.54 115.747 170.369 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.277 4.8 mt -85.68 -7.41 10.91 Favored 'Isoleucine or valine' 0 C--N 1.367 1.343 0 N-CA-C 115.217 1.562 . . . . 1.32 115.217 179.125 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 34.1 t90 -74.66 -42.17 58.98 Favored 'General case' 0 C--N 1.379 1.857 0 C-N-CA 125.018 1.327 . . . . 0.28 111.412 169.384 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -84.28 -14.89 48.58 Favored 'General case' 0 C--N 1.367 1.363 0 C-N-CA 126.122 1.769 . . . . 0.46 113.319 179.44 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -75.59 -40.52 56.45 Favored 'General case' 0 C--N 1.365 1.263 0 C-N-CA 127.418 2.287 . . . . 1.34 112.954 174.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 70.3 m-20 -89.76 -26.73 20.46 Favored 'General case' 0 C--N 1.366 1.314 0 C-N-CA 125.872 1.669 . . . . 0.56 113.48 -175.202 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 8.5 m80 . . . . . 0 C--N 1.364 1.203 0 N-CA-C 116.959 2.207 . . . . 2.39 116.959 -178.269 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 40.0 m . . . . . 0 CA--C 1.514 -0.439 0 N-CA-C 106.294 -1.743 . . . . 1.31 106.294 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.1 pttm -73.36 6.44 2.92 Favored 'General case' 0 C--N 1.367 1.345 0 N-CA-C 118.952 2.945 . . . . 3.73 118.952 -157.461 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.25 -51.97 6.23 Favored 'General case' 0 C--N 1.361 1.081 0 C-N-CA 125.865 1.666 . . . . 1.13 111.966 159.072 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -84.47 -39.27 19.12 Favored 'General case' 0 C--N 1.364 1.236 0 C-N-CA 128.276 2.63 . . . . 0.86 111.258 -165.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 71.7 p -70.21 -34.81 73.36 Favored 'General case' 0 C--N 1.376 1.756 0 C-N-CA 127.531 2.333 . . . . 1.12 111.377 177.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 54.0 t80 -64.2 -51.67 62.61 Favored 'General case' 0 C--N 1.37 1.476 0 C-N-CA 129.461 3.104 . . . . 1.22 112.76 179.053 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -72.81 -34.76 67.07 Favored 'General case' 0 C--N 1.362 1.109 0 N-CA-C 115.19 1.552 . . . . 1.06 115.19 -177.432 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 92.2 mt -69.15 -42.32 76.12 Favored 'General case' 0 C--N 1.366 1.309 0 C-N-CA 125.766 1.626 . . . . 1.05 115.072 176.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -71.12 -31.7 68.08 Favored 'General case' 0 C--N 1.362 1.128 0 C-N-CA 126.231 1.812 . . . . 1.66 115.135 174.165 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.6 ptm180 -79.59 -26.51 41.24 Favored 'General case' 0 C--N 1.369 1.442 0 N-CA-C 115.1 1.519 . . . . 2.54 115.1 -177.421 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.264 40.0 mmm-85 -74.12 -32.01 63.01 Favored 'General case' 0 C--N 1.371 1.536 0 C-N-CA 123.43 0.692 . . . . 1.89 112.18 163.393 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -68.37 -27.22 66.05 Favored 'General case' 0 C--N 1.376 1.735 0 C-N-CA 126.589 1.956 . . . . 0.83 114.315 -177.513 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 36.9 mmt-85 -79.74 -27.73 40.52 Favored 'General case' 0 C--N 1.365 1.259 0 C-N-CA 125.309 1.444 . . . . 4.57 113.487 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 65.5 tp60 -93.49 -27.43 16.68 Favored 'General case' 0 N--CA 1.433 -1.298 0 C-N-CA 127.81 2.444 . . . . 2.53 112.541 179.103 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -166.19 152.0 8.78 Favored 'General case' 0 C--N 1.367 1.362 0 N-CA-C 107.732 -1.21 . . . . 2.04 107.732 -167.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 24.0 mmt85 -105.07 -35.28 7.68 Favored 'General case' 0 C--N 1.361 1.079 0 C-N-CA 125.556 1.543 . . . . 4.25 110.277 -178.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 -114.35 137.05 52.31 Favored 'General case' 0 C--N 1.358 0.951 0 C-N-CA 126.537 1.935 . . . . 5.9 107.69 178.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -145.85 120.68 9.93 Favored 'General case' 0 CA--C 1.496 -1.102 0 N-CA-C 101.644 -3.465 . . . . 1.23 101.644 -176.448 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 24.8 p -84.41 164.46 18.88 Favored 'General case' 0 C--N 1.366 1.321 0 C-N-CA 127.18 2.192 . . . . 2.04 110.523 -168.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.63 -36.06 25.58 Favored Pre-proline 0 C--N 1.364 1.206 0 N-CA-C 119.969 3.322 . . . . 1.23 119.969 -170.187 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -68.54 -35.85 16.43 Favored 'Trans proline' 0 C--N 1.361 1.214 0 C-N-CA 124.46 3.44 . . . . 1.03 115.004 173.172 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -93.65 -18.32 22.29 Favored 'General case' 0 C--N 1.366 1.29 0 C-N-CA 126.28 1.832 . . . . 1.7 113.946 179.203 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 32.2 ttm180 -80.38 -40.03 27.32 Favored 'General case' 0 C--N 1.371 1.53 0 C-N-CA 127.127 2.171 . . . . 3.04 110.664 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.84 -17.23 48.13 Favored 'General case' 0 C--N 1.371 1.542 0 C-N-CA 126.634 1.973 . . . . 1.74 112.148 -179.313 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 42.4 t-80 -81.16 -28.99 34.8 Favored 'General case' 0 C--N 1.364 1.208 0 C-N-CA 128.294 2.638 . . . . 2.01 111.611 174.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -73.27 -33.89 65.51 Favored 'General case' 0 C--N 1.368 1.404 0 C-N-CA 128.137 2.575 . . . . 1.19 112.321 172.186 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.47 -24.31 36.86 Favored 'General case' 0 C--N 1.363 1.176 0 C-N-CA 127.764 2.426 . . . . 1.07 113.356 177.425 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.6 t -85.2 -27.69 25.94 Favored 'General case' 0 C--N 1.359 0.985 0 C-N-CA 126.457 1.903 . . . . 1.03 111.981 174.156 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 45.0 tp -74.97 -37.45 61.92 Favored 'General case' 0 C--N 1.361 1.082 0 C-N-CA 127.501 2.32 . . . . 2.35 112.54 176.405 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.9 pt -106.13 -19.18 6.69 Favored 'Isoleucine or valine' 0 C--N 1.367 1.344 0 C-N-CA 123.712 0.805 . . . . 1.07 112.442 -174.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 8.9 tpp180 86.88 68.98 0.01 OUTLIER 'General case' 0 C--N 1.372 1.581 0 C-N-CA 129.3 3.04 . . . . 3.61 114.236 171.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 73.8 mt -136.49 -164.5 1.58 Allowed 'General case' 0 C--N 1.363 1.164 0 C-N-CA 124.803 1.241 . . . . 1.12 109.4 174.342 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 80.6 p -104.72 146.73 33.2 Favored Pre-proline 0 C--N 1.369 1.415 0 C-N-CA 127.94 2.496 . . . . 1.36 108.631 177.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_exo -59.29 -19.73 51.93 Favored 'Trans proline' 0 C--N 1.369 1.605 1 C-N-CA 126.583 4.855 . . . . 1.0 117.119 170.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 14.1 t -87.08 -34.7 19.06 Favored 'General case' 0 C--N 1.365 1.259 0 C-N-CA 126.597 1.959 . . . . 1.13 111.036 -176.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -79.99 -31.52 39.77 Favored 'General case' 0 C--N 1.372 1.579 0 CA-C-N 119.909 1.231 . . . . 1.04 112.445 179.476 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.9 p -68.96 -39.45 79.8 Favored 'Isoleucine or valine' 0 C--N 1.38 1.919 0 C-N-CA 124.645 1.178 . . . . 1.07 112.546 171.257 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.67 -45.13 73.83 Favored 'General case' 0 C--N 1.37 1.468 0 N-CA-C 116.29 1.959 . . . . 1.54 116.29 169.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.254 2.3 mt -87.58 -8.18 10.97 Favored 'Isoleucine or valine' 0 C--N 1.368 1.403 0 N-CA-C 115.319 1.6 . . . . 1.32 115.319 178.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 36.8 t90 -75.78 -41.89 51.73 Favored 'General case' 0 C--N 1.379 1.856 0 CA-C-N 119.86 1.209 . . . . 0.28 110.732 169.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -85.24 -9.23 58.0 Favored 'General case' 0 C--N 1.367 1.347 0 C-N-CA 126.735 2.014 . . . . 0.46 113.386 178.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -75.46 -41.01 56.71 Favored 'General case' 0 C--N 1.363 1.177 0 C-N-CA 125.839 1.656 . . . . 1.34 112.148 168.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -93.21 -19.02 21.84 Favored 'General case' 0 C--N 1.366 1.285 0 C-N-CA 125.368 1.467 . . . . 0.56 114.455 -173.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 11.4 m80 . . . . . 0 C--N 1.363 1.167 0 N-CA-C 115.155 1.539 . . . . 2.39 115.155 179.492 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 32.8 m . . . . . 0 N--CA 1.454 -0.24 0 N-CA-C 106.911 -1.515 . . . . 1.31 106.911 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.7 pttm -76.06 -10.94 59.82 Favored 'General case' 0 C--N 1.367 1.359 0 C-N-CA 127.554 2.342 . . . . 3.73 116.273 -169.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -78.55 -34.57 47.0 Favored 'General case' 0 C--N 1.367 1.332 0 C-N-CA 126.839 2.055 . . . . 1.13 112.679 172.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 42.9 mm-40 -76.89 -44.11 33.19 Favored 'General case' 0 C--N 1.366 1.3 0 C-N-CA 128.796 2.839 . . . . 0.86 111.272 -174.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 62.4 p -74.49 -28.8 61.17 Favored 'General case' 0 C--N 1.363 1.188 0 C-N-CA 126.493 1.917 . . . . 1.12 111.947 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 54.0 t80 -65.63 -51.08 62.33 Favored 'General case' 0 C--N 1.369 1.45 0 C-N-CA 127.494 2.318 . . . . 1.22 112.765 175.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -74.45 -34.32 63.14 Favored 'General case' 0 C--N 1.358 0.967 0 N-CA-C 115.741 1.756 . . . . 1.06 115.741 -176.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 83.2 mt -74.1 -42.32 60.28 Favored 'General case' 0 C--N 1.361 1.077 0 C-N-CA 126.621 1.968 . . . . 1.05 114.369 178.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -69.2 -30.94 69.23 Favored 'General case' 0 C--N 1.363 1.164 0 C-N-CA 127.005 2.122 . . . . 1.66 115.382 171.046 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.6 ptm180 -77.49 -31.06 53.38 Favored 'General case' 0 C--N 1.369 1.422 0 N-CA-C 115.364 1.616 . . . . 2.54 115.364 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.441 ' HE ' HE21 ' A' ' 31' ' ' GLN 0.254 37.2 mmm-85 -79.73 -16.51 55.49 Favored 'General case' 0 C--N 1.37 1.496 0 C-N-CA 123.879 0.872 . . . . 1.89 112.675 164.542 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -75.33 -30.51 60.31 Favored 'General case' 0 C--N 1.368 1.373 0 O-C-N 120.44 -1.412 . . . . 0.83 114.344 173.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.3 tpt180 -93.62 -37.51 11.83 Favored 'General case' 0 C--N 1.353 0.736 0 C-N-CA 125.917 1.687 . . . . 4.57 114.213 -167.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 65.8 tp60 -92.41 -23.22 19.26 Favored 'General case' 0 C--N 1.367 1.359 0 C-N-CA 127.037 2.135 . . . . 2.53 112.519 174.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.441 HE21 ' HE ' ' A' ' 27' ' ' ARG . 0.4 OUTLIER -127.4 165.59 19.5 Favored 'General case' 0 C--N 1.363 1.177 0 N-CA-C 105.916 -1.883 . . . . 2.04 105.916 -176.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . 0.26 94.1 mtt-85 -89.05 -79.82 0.31 Allowed 'General case' 0 C--N 1.355 0.807 0 N-CA-C 105.92 -1.881 . . . . 4.25 105.92 130.354 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . 2.369 16.5 m-85 70.74 49.28 0.39 Allowed 'General case' 0 C--N 1.362 1.11 0 C-N-CA 130.943 3.697 . . . . 5.9 114.631 122.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . 2.337 0.0 OUTLIER -79.8 -122.87 0.01 OUTLIER 'General case' 0 C--N 1.359 1.011 0 C-N-CA 129.207 3.003 . . . . 1.23 110.873 173.04 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 21.7 t 118.44 167.31 0.0 OUTLIER 'General case' 0 C--N 1.378 1.809 0 C-N-CA 130.959 3.704 . . . . 2.04 101.383 -170.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -73.22 -49.42 7.02 Favored Pre-proline 0 C--N 1.347 0.472 0 CA-C-O 116.218 -1.848 . . . . 1.23 114.197 178.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -72.52 -17.41 26.7 Favored 'Trans proline' 0 C--N 1.365 1.415 0 CA-C-N 125.067 2.845 . . . . 1.03 116.137 179.474 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.303 1.2 pt-20 -97.37 -14.29 21.34 Favored 'General case' 0 C--N 1.368 1.389 0 CA-C-N 120.327 1.421 . . . . 1.7 113.365 178.692 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 37.2 ttm180 -81.52 -36.11 29.56 Favored 'General case' 0 C--N 1.372 1.583 0 C-N-CA 125.828 1.651 . . . . 3.04 112.307 170.226 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -76.91 -23.15 52.51 Favored 'General case' 0 C--N 1.372 1.568 0 C-N-CA 126.88 2.072 . . . . 1.74 112.662 179.369 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 45.4 t-80 -85.01 -31.19 23.61 Favored 'General case' 0 C--N 1.362 1.14 0 C-N-CA 127.88 2.472 . . . . 2.01 110.97 178.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -75.85 -35.4 59.95 Favored 'General case' 0 C--N 1.368 1.374 0 C-N-CA 128.201 2.601 . . . . 1.19 112.212 174.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -80.79 -29.67 36.04 Favored 'General case' 0 C--N 1.364 1.196 0 C-N-CA 128.131 2.572 . . . . 1.07 113.029 -179.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 73.8 m -84.57 -29.55 25.75 Favored 'General case' 0 C--N 1.364 1.203 0 C-N-CA 124.796 1.238 . . . . 1.03 113.216 176.034 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 36.6 tp -72.79 -38.2 67.31 Favored 'General case' 0 C--N 1.361 1.092 0 C-N-CA 125.823 1.649 . . . . 2.35 113.18 175.224 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.3 pt -99.12 -18.09 6.43 Favored 'Isoleucine or valine' 0 C--N 1.368 1.389 0 C-N-CA 124.085 0.954 . . . . 1.07 112.998 -173.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.3 tpp180 95.32 45.1 0.0 OUTLIER 'General case' 0 C--N 1.375 1.676 0 C-N-CA 130.092 3.357 . . . . 3.61 114.366 164.257 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 94.6 mt -127.45 -175.57 3.49 Favored 'General case' 0 C--N 1.356 0.889 0 O-C-N 120.636 -1.29 . . . . 1.12 109.613 -177.145 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.427 HG22 ' H ' ' A' ' 51' ' ' THR . 71.5 p -90.74 145.59 32.37 Favored Pre-proline 0 C--N 1.369 1.435 0 C-N-CA 126.774 2.029 . . . . 1.36 109.482 -178.139 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_exo -61.89 -20.99 71.37 Favored 'Trans proline' 0 C--N 1.366 1.476 1 C-N-CA 126.173 4.582 . . . . 1.0 116.142 173.542 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.427 ' H ' HG22 ' A' ' 49' ' ' THR . 13.6 t -87.74 -29.0 21.4 Favored 'General case' 0 C--N 1.366 1.312 0 C-N-CA 126.613 1.965 . . . . 1.13 110.869 -176.794 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -82.27 -33.55 29.11 Favored 'General case' 0 C--N 1.373 1.615 0 CA-C-N 119.575 1.079 . . . . 1.04 112.542 178.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.3 p -69.49 -38.02 76.07 Favored 'Isoleucine or valine' 0 C--N 1.378 1.831 0 C-N-CA 125.52 1.528 . . . . 1.07 112.624 171.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 6.3 mmmt -53.48 -50.67 64.86 Favored 'General case' 0 C--N 1.373 1.61 0 C-N-CA 127.656 2.382 . . . . 1.54 115.442 169.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.0 mt -86.31 -4.81 9.63 Favored 'Isoleucine or valine' 0 C--N 1.366 1.288 0 N-CA-C 114.823 1.416 . . . . 1.32 114.823 178.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 24.9 t90 -75.77 -43.5 46.23 Favored 'General case' 0 C--N 1.376 1.753 0 C-N-CA 124.856 1.262 . . . . 0.28 110.558 169.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -82.87 -20.29 35.81 Favored 'General case' 0 C--N 1.371 1.52 0 C-N-CA 125.43 1.492 . . . . 0.46 113.098 179.093 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -85.0 -23.92 28.47 Favored 'General case' 0 C--N 1.369 1.433 0 C-N-CA 125.768 1.627 . . . . 1.34 112.231 178.238 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 51.5 m-20 -87.4 -28.71 21.99 Favored 'General case' 0 C--N 1.367 1.354 0 C-N-CA 125.48 1.512 . . . . 0.56 113.231 171.597 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 2.4 m80 . . . . . 0 C--N 1.365 1.264 0 N-CA-C 115.207 1.558 . . . . 2.39 115.207 -173.874 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.6 m . . . . . 0 N--CA 1.466 0.332 0 N-CA-C 110.818 -0.067 . . . . 1.31 110.818 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.9 ptmm? -80.61 7.31 10.36 Favored 'General case' 0 C--N 1.37 1.481 0 N-CA-C 116.925 2.194 . . . . 3.73 116.925 -165.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.28 -48.92 8.61 Favored 'General case' 0 C--N 1.36 1.049 0 C-N-CA 126.146 1.778 . . . . 1.13 111.873 158.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 55.8 mm-40 -76.13 -46.42 28.83 Favored 'General case' 0 C--N 1.368 1.38 0 C-N-CA 128.623 2.769 . . . . 0.86 112.374 -168.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 59.9 p -70.93 -31.0 67.48 Favored 'General case' 0 C--N 1.37 1.485 0 C-N-CA 127.975 2.51 . . . . 1.12 111.981 179.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 49.9 t80 -63.68 -53.95 43.33 Favored 'General case' 0 C--N 1.367 1.348 0 C-N-CA 128.873 2.869 . . . . 1.22 112.508 178.042 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -68.32 -37.67 80.79 Favored 'General case' 0 C--N 1.364 1.229 0 C-N-CA 125.977 1.711 . . . . 1.06 115.597 -178.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 93.7 mt -69.12 -36.12 77.15 Favored 'General case' 0 C--N 1.361 1.082 0 N-CA-C 116.3 1.963 . . . . 1.05 116.3 177.106 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -77.68 -22.21 50.87 Favored 'General case' 0 C--N 1.359 0.99 0 C-N-CA 126.903 2.081 . . . . 1.66 113.738 176.244 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . 0.293 8.2 mmt85 -66.87 -55.22 15.69 Favored 'General case' 0 C--N 1.379 1.86 0 C-N-CA 123.318 0.647 . . . . 2.54 111.704 168.761 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.623 2.8 ptm180 -86.27 1.82 49.48 Favored 'General case' 0 C--N 1.372 1.548 0 N-CA-C 115.367 1.617 . . . . 1.89 115.367 -171.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 25.2 t80 -79.74 -43.02 23.34 Favored 'General case' 0 C--N 1.378 1.832 0 C-N-CA 126.909 2.084 . . . . 0.83 113.792 153.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.2 tmm_? -80.51 -29.49 37.29 Favored 'General case' 0 C--N 1.368 1.408 0 C-N-CA 125.8 1.64 . . . . 4.57 113.884 -173.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 66.0 tp60 -88.39 -24.62 23.03 Favored 'General case' 0 C--N 1.368 1.371 0 C-N-CA 127.928 2.491 . . . . 2.53 112.528 -178.128 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -161.73 155.17 21.21 Favored 'General case' 0 C--N 1.361 1.1 0 N-CA-C 106.14 -1.8 . . . . 2.04 106.14 -173.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.7 mmm180 -90.13 -48.93 6.87 Favored 'General case' 0 C--N 1.363 1.188 0 C-N-CA 125.306 1.442 . . . . 4.25 109.554 173.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . 2.397 39.7 m-85 32.47 -145.87 0.0 OUTLIER 'General case' 0 C--N 1.371 1.536 1 C-N-CA 133.799 4.84 . . . . 5.9 117.029 176.005 . . . . . . . . 3 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -155.48 129.92 9.0 Favored 'General case' 0 C--N 1.359 0.987 1 C-N-CA 132.124 4.17 . . . . 1.23 102.696 5.004 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 21.4 p -90.42 165.56 13.77 Favored 'General case' 0 C--N 1.368 1.377 0 C-N-CA 126.847 2.059 . . . . 2.04 109.862 -171.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.8 -34.39 14.53 Favored Pre-proline 0 C--N 1.366 1.317 0 N-CA-C 120.206 3.41 . . . . 1.23 120.206 -171.456 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_exo -67.18 -27.45 41.45 Favored 'Trans proline' 0 C--N 1.361 1.213 0 C-N-CA 124.173 3.249 . . . . 1.03 115.581 175.335 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -107.85 -21.82 12.69 Favored 'General case' 0 C--N 1.362 1.122 0 C-N-CA 126.013 1.725 . . . . 1.7 114.764 176.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 60.9 ttp85 -78.22 -43.42 28.42 Favored 'General case' 0 C--N 1.377 1.774 0 CA-C-N 121.253 1.842 . . . . 3.04 111.429 179.487 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -82.71 -21.67 34.74 Favored 'General case' 0 C--N 1.368 1.404 0 C-N-CA 127.167 2.187 . . . . 1.74 112.588 -176.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 47.1 t-80 -81.91 -26.77 33.8 Favored 'General case' 0 C--N 1.365 1.277 0 C-N-CA 127.735 2.414 . . . . 2.01 111.269 177.158 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -69.8 -38.71 76.74 Favored 'General case' 0 C--N 1.368 1.41 0 C-N-CA 128.106 2.562 . . . . 1.19 112.543 169.098 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -76.21 -27.42 56.82 Favored 'General case' 0 C--N 1.361 1.106 0 C-N-CA 127.752 2.421 . . . . 1.07 113.794 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 68.3 m -85.15 -29.36 24.84 Favored 'General case' 0 C--N 1.36 1.034 0 C-N-CA 125.939 1.695 . . . . 1.03 113.505 175.314 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -76.88 -36.41 56.76 Favored 'General case' 0 C--N 1.364 1.207 0 C-N-CA 127.545 2.338 . . . . 2.35 112.199 178.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.0 pt -102.66 -19.71 5.97 Favored 'Isoleucine or valine' 0 C--N 1.365 1.27 0 C-N-CA 124.329 1.052 . . . . 1.07 111.489 -175.257 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 11.7 tpp85 85.21 66.85 0.01 OUTLIER 'General case' 0 C--N 1.374 1.644 0 C-N-CA 129.092 2.957 . . . . 3.61 113.806 170.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 90.5 mt -137.6 -171.47 3.0 Favored 'General case' 0 C--N 1.36 1.039 0 C-N-CA 124.743 1.217 . . . . 1.12 108.751 174.127 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 82.4 p -97.09 148.58 34.6 Favored Pre-proline 0 C--N 1.37 1.482 0 C-N-CA 127.498 2.319 . . . . 1.36 109.292 178.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -59.73 -24.04 74.13 Favored 'Trans proline' 0 C--N 1.364 1.372 1 C-N-CA 126.458 4.772 . . . . 1.0 117.002 170.598 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.6 t -87.75 -25.01 23.63 Favored 'General case' 0 C--N 1.365 1.247 0 C-N-CA 125.331 1.453 . . . . 1.13 111.261 -175.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -84.96 -33.23 22.68 Favored 'General case' 0 C--N 1.371 1.516 0 C-N-CA 123.943 0.897 . . . . 1.04 112.84 177.319 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.6 p -66.46 -41.99 89.55 Favored 'Isoleucine or valine' 0 C--N 1.381 1.959 0 C-N-CA 125.042 1.337 . . . . 1.07 112.615 170.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . 0.28 0.0 OUTLIER -72.14 -30.08 64.68 Favored 'General case' 0 C--N 1.366 1.294 0 N-CA-C 115.864 1.801 . . . . 1.54 115.864 176.692 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.265 0.3 OUTLIER -79.58 -13.88 13.29 Favored 'Isoleucine or valine' 0 C--N 1.385 2.118 0 CA-C-N 121.288 1.858 . . . . 1.32 113.966 167.076 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 28.1 t90 -75.26 -38.89 60.3 Favored 'General case' 0 C--N 1.38 1.897 0 CA-C-N 120.738 1.608 . . . . 0.28 111.762 174.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -81.34 -15.68 54.63 Favored 'General case' 0 C--N 1.368 1.372 0 C-N-CA 126.561 1.944 . . . . 0.46 112.716 178.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -69.99 -45.42 67.33 Favored 'General case' 0 C--N 1.366 1.321 0 C-N-CA 127.001 2.12 . . . . 1.34 113.124 165.249 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 64.5 m-20 -95.06 -28.97 14.83 Favored 'General case' 0 C--N 1.365 1.254 0 C-N-CA 125.605 1.562 . . . . 0.56 114.244 -167.174 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 2.0 t60 . . . . . 0 C--N 1.366 1.316 0 C-N-CA 124.766 1.226 . . . . 2.39 114.092 -174.549 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 27.1 m . . . . . 0 CA--C 1.519 -0.213 0 N-CA-C 108.454 -0.943 . . . . 1.31 108.454 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -85.02 8.78 16.62 Favored 'General case' 0 C--N 1.37 1.481 0 C-N-CA 126.898 2.079 . . . . 3.73 114.896 -170.26 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.18 -47.51 10.05 Favored 'General case' 0 C--N 1.36 1.049 0 C-N-CA 126.533 1.933 . . . . 1.13 111.778 160.222 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 50.6 mm-40 -72.14 -51.85 19.4 Favored 'General case' 0 C--N 1.37 1.492 0 C-N-CA 129.03 2.932 . . . . 0.86 112.774 -170.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 67.0 p -68.15 -35.33 77.9 Favored 'General case' 0 C--N 1.368 1.411 0 C-N-CA 127.772 2.429 . . . . 1.12 112.749 -178.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 46.0 t80 -63.13 -53.83 47.29 Favored 'General case' 0 C--N 1.365 1.261 0 C-N-CA 129.191 2.996 . . . . 1.22 112.83 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -67.6 -40.28 84.75 Favored 'General case' 0 C--N 1.362 1.139 0 C-N-CA 126.73 2.012 . . . . 1.06 115.152 -178.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 98.3 mt -67.01 -35.69 80.48 Favored 'General case' 0 C--N 1.361 1.07 0 C-N-CA 126.725 2.01 . . . . 1.05 115.791 178.101 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -78.15 -25.34 47.28 Favored 'General case' 0 C--N 1.358 0.96 0 C-N-CA 127.061 2.144 . . . . 1.66 114.566 175.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . 0.299 5.3 mmt85 -68.13 -50.17 56.39 Favored 'General case' 0 C--N 1.378 1.826 0 C-N-CA 123.512 0.725 . . . . 2.54 111.857 172.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.441 0.0 OUTLIER -84.71 6.15 25.42 Favored 'General case' 0 C--N 1.374 1.67 0 CA-C-N 114.662 -1.154 . . . . 1.89 114.102 179.881 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -87.55 -31.94 19.63 Favored 'General case' 0 C--N 1.37 1.49 0 C-N-CA 126.13 1.772 . . . . 0.83 114.597 157.608 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 33.4 mmt-85 -81.79 -41.7 20.78 Favored 'General case' 0 C--N 1.371 1.53 0 CA-C-N 120.872 1.669 . . . . 4.57 113.696 179.103 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 66.5 tp60 -90.91 -22.87 20.68 Favored 'General case' 0 C--N 1.367 1.335 0 C-N-CA 127.799 2.439 . . . . 2.53 112.979 -170.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -150.9 156.85 42.06 Favored 'General case' 0 C--N 1.361 1.068 0 N-CA-C 105.876 -1.898 . . . . 2.04 105.876 -177.159 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 15.5 mtm105 -105.45 -38.04 6.61 Favored 'General case' 0 C--N 1.364 1.208 0 C-N-CA 124.344 1.057 . . . . 4.25 110.535 -178.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . 0.484 0.2 OUTLIER -69.46 -84.27 0.03 OUTLIER 'General case' 0 C--N 1.37 1.488 0 N-CA-C 118.72 2.859 . . . . 5.9 118.72 -145.478 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -129.58 159.51 36.13 Favored 'General case' 0 C--N 1.37 1.473 1 C-N-CA 136.56 5.944 . . . . 1.23 100.25 15.411 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 24.7 p -74.71 153.08 39.02 Favored 'General case' 0 C--N 1.384 2.096 0 CA-C-N 122.504 2.411 . . . . 2.04 112.589 178.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.09 -37.64 40.17 Favored Pre-proline 0 C--N 1.366 1.284 0 N-CA-C 118.558 2.799 . . . . 1.23 118.558 -167.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -68.55 -17.88 43.25 Favored 'Trans proline' 0 C--N 1.364 1.391 0 C-N-CA 124.529 3.486 . . . . 1.03 115.44 173.421 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -106.16 -14.71 15.06 Favored 'General case' 0 C--N 1.363 1.157 0 C-N-CA 125.714 1.605 . . . . 1.7 114.699 174.05 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 46.0 ttp85 -79.67 -46.39 17.25 Favored 'General case' 0 C--N 1.377 1.768 0 C-N-CA 126.294 1.838 . . . . 3.04 111.528 177.473 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -79.35 -27.66 42.0 Favored 'General case' 0 C--N 1.369 1.416 0 C-N-CA 128.212 2.605 . . . . 1.74 112.342 -176.596 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 45.6 t-80 -83.58 -25.75 30.64 Favored 'General case' 0 C--N 1.364 1.208 0 C-N-CA 127.713 2.405 . . . . 2.01 111.243 -179.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -69.45 -35.65 75.85 Favored 'General case' 0 C--N 1.368 1.391 0 C-N-CA 127.886 2.474 . . . . 1.19 112.708 167.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.54 -28.94 62.15 Favored 'General case' 0 C--N 1.362 1.147 0 C-N-CA 126.989 2.116 . . . . 1.07 113.822 175.608 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 50.3 m -85.13 -30.55 23.9 Favored 'General case' 0 C--N 1.36 1.038 0 C-N-CA 125.552 1.541 . . . . 1.03 114.538 174.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -78.28 -34.85 48.68 Favored 'General case' 0 C--N 1.362 1.117 0 C-N-CA 127.36 2.264 . . . . 2.35 112.292 -178.263 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.7 pt -100.65 -21.36 5.14 Favored 'Isoleucine or valine' 0 C--N 1.364 1.238 0 C-N-CA 124.486 1.114 . . . . 1.07 111.344 -177.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 18.0 tpp180 86.09 66.25 0.01 OUTLIER 'General case' 0 C--N 1.374 1.651 0 C-N-CA 128.975 2.91 . . . . 3.61 114.058 170.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 85.2 mt -134.52 -163.61 1.4 Allowed 'General case' 0 C--N 1.356 0.87 0 N-CA-C 107.193 -1.41 . . . . 1.12 107.193 172.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 68.4 p -104.82 148.55 36.28 Favored Pre-proline 0 C--N 1.367 1.332 0 C-N-CA 127.258 2.223 . . . . 1.36 107.431 178.039 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_exo -60.18 -20.22 60.72 Favored 'Trans proline' 0 C--N 1.362 1.273 1 C-N-CA 126.073 4.515 . . . . 1.0 116.911 171.039 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.5 t -87.07 -29.99 21.48 Favored 'General case' 0 C--N 1.366 1.286 0 C-N-CA 126.302 1.841 . . . . 1.13 111.394 -177.083 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -84.3 -30.8 25.28 Favored 'General case' 0 C--N 1.372 1.574 0 CA-C-N 119.428 1.013 . . . . 1.04 112.602 179.028 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.7 p -67.12 -39.38 83.07 Favored 'Isoleucine or valine' 0 C--N 1.38 1.92 0 C-N-CA 124.995 1.318 . . . . 1.07 112.959 168.225 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.68 -53.11 51.88 Favored 'General case' 0 C--N 1.374 1.66 0 C-N-CA 127.77 2.428 . . . . 1.54 115.626 169.479 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.284 5.7 mt -85.02 -5.44 9.66 Favored 'Isoleucine or valine' 0 C--N 1.37 1.474 0 N-CA-C 114.917 1.451 . . . . 1.32 114.917 -179.031 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 33.5 t90 -74.74 -42.43 58.28 Favored 'General case' 0 C--N 1.378 1.839 0 C-N-CA 125.376 1.47 . . . . 0.28 110.764 166.099 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -84.21 -11.46 56.48 Favored 'General case' 0 C--N 1.366 1.286 0 C-N-CA 126.016 1.726 . . . . 0.46 113.725 -179.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 -80.83 -35.33 33.05 Favored 'General case' 0 C--N 1.357 0.918 0 C-N-CA 127.522 2.329 . . . . 1.34 111.866 170.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 61.2 m-20 -88.98 -42.83 11.55 Favored 'General case' 0 C--N 1.367 1.344 0 C-N-CA 126.261 1.824 . . . . 0.56 113.434 -174.541 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 1.9 t60 . . . . . 0 C--N 1.366 1.285 0 N-CA-C 116.893 2.183 . . . . 2.39 116.893 -171.735 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 24.5 m . . . . . 0 CA--C 1.52 -0.188 0 N-CA-C 107.96 -1.126 . . . . 1.31 107.96 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -85.05 7.88 19.89 Favored 'General case' 0 C--N 1.368 1.41 0 C-N-CA 126.852 2.061 . . . . 3.73 114.623 -171.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.17 -45.27 12.19 Favored 'General case' 0 C--N 1.361 1.077 0 C-N-CA 126.779 2.032 . . . . 1.13 112.141 162.334 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 46.3 mm-40 -77.67 -48.11 17.59 Favored 'General case' 0 C--N 1.37 1.48 0 C-N-CA 127.858 2.463 . . . . 0.86 112.092 -169.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 62.4 p -66.6 -38.08 86.22 Favored 'General case' 0 C--N 1.374 1.64 0 C-N-CA 127.717 2.407 . . . . 1.12 112.513 178.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 49.2 t80 -58.57 -57.13 14.32 Favored 'General case' 0 C--N 1.369 1.422 0 C-N-CA 129.218 3.007 . . . . 1.22 112.69 177.191 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -67.9 -36.66 80.59 Favored 'General case' 0 C--N 1.367 1.352 0 C-N-CA 126.466 1.906 . . . . 1.06 115.272 -175.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 97.5 mt -67.36 -37.46 83.26 Favored 'General case' 0 C--N 1.364 1.212 0 C-N-CA 126.232 1.813 . . . . 1.05 115.799 176.062 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -76.77 -26.39 54.45 Favored 'General case' 0 C--N 1.36 1.05 0 C-N-CA 126.538 1.935 . . . . 1.66 114.579 177.064 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 10.5 mtm180 -70.94 -46.4 62.49 Favored 'General case' 0 C--N 1.375 1.689 0 C-N-CA 124.153 0.981 . . . . 2.54 112.349 174.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.322 19.0 mmm-85 -72.79 -22.25 60.86 Favored 'General case' 0 C--N 1.379 1.89 0 N-CA-C 113.22 0.822 . . . . 1.89 113.22 -178.034 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -73.64 -33.67 64.63 Favored 'General case' 0 C--N 1.38 1.91 0 C-N-CA 125.718 1.607 . . . . 0.83 113.034 169.26 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.8 mmm-85 -73.03 -29.11 62.76 Favored 'General case' 0 C--N 1.369 1.447 0 C-N-CA 126.083 1.753 . . . . 4.57 115.422 174.223 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 89.8 mm-40 -92.53 -29.13 16.36 Favored 'General case' 0 C--N 1.363 1.165 0 C-N-CA 126.217 1.807 . . . . 2.53 112.775 -179.011 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -158.49 172.42 18.35 Favored 'General case' 0 C--N 1.364 1.228 0 N-CA-C 107.862 -1.162 . . . . 2.04 107.862 179.522 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 60.9 mmt-85 -105.32 -38.66 6.43 Favored 'General case' 0 C--N 1.358 0.946 0 C-N-CA 126.046 1.738 . . . . 4.25 110.0 -176.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 -130.69 142.0 50.42 Favored 'General case' 0 C--N 1.359 1.012 0 C-N-CA 125.884 1.674 . . . . 5.9 107.028 -174.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -146.43 120.16 9.23 Favored 'General case' 0 CA--C 1.501 -0.925 0 N-CA-C 103.272 -2.862 . . . . 1.23 103.272 -172.419 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 10.7 m -97.62 165.94 11.74 Favored 'General case' 0 C--N 1.366 1.311 0 C-N-CA 126.534 1.934 . . . . 2.04 108.698 -169.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -42.9 -36.82 1.73 Allowed Pre-proline 0 C--N 1.367 1.347 0 N-CA-C 121.402 3.853 . . . . 1.23 121.402 -170.113 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_exo -67.26 -32.76 32.5 Favored 'Trans proline' 0 C--N 1.361 1.193 0 C-N-CA 124.315 3.343 . . . . 1.03 115.064 174.619 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -102.86 -20.3 14.34 Favored 'General case' 0 C--N 1.362 1.118 0 C-N-CA 126.365 1.866 . . . . 1.7 114.785 177.124 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 43.0 ttp180 -80.17 -42.06 24.12 Favored 'General case' 0 C--N 1.374 1.663 0 C-N-CA 126.323 1.849 . . . . 3.04 111.712 -179.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -80.75 -20.11 43.45 Favored 'General case' 0 C--N 1.368 1.396 0 C-N-CA 126.43 1.892 . . . . 1.74 112.129 -178.323 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 44.5 t-80 -80.68 -27.66 37.0 Favored 'General case' 0 C--N 1.365 1.282 0 C-N-CA 128.102 2.561 . . . . 2.01 111.781 175.212 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -74.42 -31.4 62.3 Favored 'General case' 0 C--N 1.37 1.464 0 C-N-CA 128.169 2.588 . . . . 1.19 112.369 172.122 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -80.28 -27.02 38.64 Favored 'General case' 0 C--N 1.364 1.234 0 C-N-CA 127.669 2.388 . . . . 1.07 112.936 176.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 70.8 m -85.16 -26.3 26.91 Favored 'General case' 0 C--N 1.36 1.05 0 C-N-CA 126.099 1.76 . . . . 1.03 113.298 173.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 50.4 tp -74.4 -39.31 62.76 Favored 'General case' 0 C--N 1.362 1.139 0 C-N-CA 127.451 2.3 . . . . 2.35 112.462 176.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.4 pt -106.09 -17.86 7.41 Favored 'Isoleucine or valine' 0 C--N 1.366 1.295 0 C-N-CA 123.698 0.799 . . . . 1.07 112.136 -173.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 12.4 tpp180 87.89 66.54 0.01 OUTLIER 'General case' 0 C--N 1.373 1.606 0 C-N-CA 129.277 3.031 . . . . 3.61 114.047 169.055 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 87.0 mt -136.17 -167.58 2.07 Favored 'General case' 0 C--N 1.362 1.152 0 C-N-CA 124.18 0.992 . . . . 1.12 109.515 176.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 80.0 p -100.96 148.37 34.98 Favored Pre-proline 0 C--N 1.369 1.451 0 C-N-CA 128.084 2.554 . . . . 1.36 108.58 178.103 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_exo -59.42 -21.25 60.4 Favored 'Trans proline' 0 C--N 1.365 1.412 1 C-N-CA 126.474 4.783 . . . . 1.0 117.122 171.439 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.8 t -87.34 -31.48 20.14 Favored 'General case' 0 C--N 1.365 1.261 0 C-N-CA 126.041 1.737 . . . . 1.13 111.137 -175.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -83.13 -29.93 28.3 Favored 'General case' 0 C--N 1.37 1.466 0 CA-C-N 119.556 1.071 . . . . 1.04 112.633 178.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.2 p -69.54 -40.91 80.2 Favored 'Isoleucine or valine' 0 C--N 1.38 1.907 0 C-N-CA 124.52 1.128 . . . . 1.07 112.549 170.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.9 tppt? -57.87 -44.76 86.83 Favored 'General case' 0 C--N 1.371 1.526 0 C-N-CA 127.977 2.511 . . . . 1.54 114.058 173.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.303 4.8 mt -88.85 -6.35 10.76 Favored 'Isoleucine or valine' 0 C--N 1.367 1.348 0 N-CA-C 115.454 1.649 . . . . 1.32 115.454 179.536 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 40.1 t90 -75.03 -40.48 60.43 Favored 'General case' 0 C--N 1.378 1.831 0 CA-C-N 120.32 1.418 . . . . 0.28 111.342 166.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -80.74 -15.78 55.57 Favored 'General case' 0 C--N 1.367 1.366 0 C-N-CA 126.388 1.875 . . . . 0.46 113.361 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -79.0 -33.81 44.65 Favored 'General case' 0 C--N 1.361 1.068 0 C-N-CA 127.691 2.396 . . . . 1.34 112.57 171.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -94.9 -35.82 11.87 Favored 'General case' 0 C--N 1.367 1.336 0 C-N-CA 125.662 1.585 . . . . 0.56 114.652 -174.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 2.3 t60 . . . . . 0 C--N 1.364 1.209 0 N-CA-C 115.152 1.538 . . . . 2.39 115.152 -170.932 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 27.3 m . . . . . 0 CA--C 1.521 -0.15 0 N-CA-C 107.214 -1.402 . . . . 1.31 107.214 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.37 -7.79 56.65 Favored 'General case' 0 C--N 1.369 1.419 0 C-N-CA 126.927 2.091 . . . . 3.73 116.206 -168.448 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -82.59 -38.2 23.97 Favored 'General case' 0 C--N 1.364 1.238 0 C-N-CA 126.432 1.893 . . . . 1.13 112.419 171.076 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 45.7 mm-40 -77.96 -42.64 32.24 Favored 'General case' 0 C--N 1.368 1.385 0 C-N-CA 127.562 2.345 . . . . 0.86 111.326 -173.125 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 77.9 p -68.38 -36.49 79.24 Favored 'General case' 0 C--N 1.372 1.584 0 C-N-CA 127.484 2.314 . . . . 1.12 112.524 178.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 54.0 t80 -63.34 -51.92 63.97 Favored 'General case' 0 C--N 1.371 1.501 0 C-N-CA 129.346 3.058 . . . . 1.22 112.917 178.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -73.23 -34.79 66.08 Favored 'General case' 0 C--N 1.361 1.068 0 N-CA-C 115.237 1.569 . . . . 1.06 115.237 -176.555 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 84.5 mt -69.25 -43.03 74.8 Favored 'General case' 0 C--N 1.366 1.303 0 C-N-CA 126.114 1.765 . . . . 1.05 114.456 176.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -69.86 -32.27 70.56 Favored 'General case' 0 C--N 1.363 1.171 0 C-N-CA 126.05 1.74 . . . . 1.66 115.433 174.082 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.7 ptm180 -80.05 -27.69 39.38 Favored 'General case' 0 C--N 1.369 1.442 0 N-CA-C 115.39 1.626 . . . . 2.54 115.39 -177.204 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.266 33.1 mmm-85 -74.8 -28.44 60.72 Favored 'General case' 0 C--N 1.372 1.57 0 C-N-CA 124.309 1.044 . . . . 1.89 112.073 165.098 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -68.88 -33.74 74.28 Favored 'General case' 0 C--N 1.375 1.713 0 C-N-CA 126.146 1.778 . . . . 0.83 113.983 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 37.4 mmt-85 -81.72 -15.27 54.93 Favored 'General case' 0 C--N 1.363 1.18 0 C-N-CA 124.887 1.275 . . . . 4.57 114.217 -178.518 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 88.8 mm-40 -95.2 -29.67 14.41 Favored 'General case' 0 C--N 1.369 1.431 0 C-N-CA 125.943 1.697 . . . . 2.53 113.058 172.046 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -164.97 154.57 13.13 Favored 'General case' 0 C--N 1.365 1.26 0 N-CA-C 105.351 -2.092 . . . . 2.04 105.351 -168.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 83.3 mtt-85 -102.83 -34.47 8.98 Favored 'General case' 0 C--N 1.362 1.141 0 O-C-N 120.842 -1.161 . . . . 4.25 108.915 -178.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 44.6 p90 -115.37 142.68 46.37 Favored 'General case' 0 N--CA 1.441 -0.925 0 C-N-CA 127.089 2.156 . . . . 5.9 107.611 -178.17 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -150.5 121.82 7.85 Favored 'General case' 0 CA--C 1.497 -1.066 0 N-CA-C 102.466 -3.161 . . . . 1.23 102.466 -173.121 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 26.1 p -87.23 167.48 14.07 Favored 'General case' 0 C--N 1.366 1.305 0 C-N-CA 127.406 2.282 . . . . 2.04 110.008 -170.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.48 -35.53 16.3 Favored Pre-proline 0 C--N 1.366 1.32 0 N-CA-C 120.059 3.355 . . . . 1.23 120.059 -172.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -67.69 -31.07 33.5 Favored 'Trans proline' 0 C--N 1.362 1.237 0 C-N-CA 124.318 3.345 . . . . 1.03 115.281 173.369 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -100.15 -21.23 15.62 Favored 'General case' 0 C--N 1.363 1.162 0 C-N-CA 126.559 1.943 . . . . 1.7 114.4 177.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 35.4 ttm180 -79.58 -41.98 25.99 Favored 'General case' 0 C--N 1.373 1.606 0 C-N-CA 127.063 2.145 . . . . 3.04 111.282 -178.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -81.38 -20.43 40.54 Favored 'General case' 0 C--N 1.369 1.433 0 C-N-CA 126.995 2.118 . . . . 1.74 112.224 -177.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 47.9 t-80 -81.65 -27.16 34.24 Favored 'General case' 0 C--N 1.366 1.286 0 C-N-CA 128.225 2.61 . . . . 2.01 111.634 175.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -75.3 -32.12 60.89 Favored 'General case' 0 C--N 1.369 1.433 0 C-N-CA 128.169 2.588 . . . . 1.19 112.488 172.032 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.27 -25.96 36.14 Favored 'General case' 0 C--N 1.364 1.223 0 C-N-CA 127.727 2.411 . . . . 1.07 113.021 177.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 69.5 m -85.15 -27.1 26.43 Favored 'General case' 0 C--N 1.359 1.007 0 C-N-CA 125.955 1.702 . . . . 1.03 113.085 173.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.0 tt -72.89 -40.49 65.53 Favored 'General case' 0 C--N 1.363 1.183 0 C-N-CA 127.774 2.43 . . . . 2.35 112.581 175.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.3 pt -106.0 -17.27 7.72 Favored 'Isoleucine or valine' 0 C--N 1.365 1.252 0 C-N-CA 123.812 0.845 . . . . 1.07 111.887 -173.296 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 22.8 tpt180 91.22 61.86 0.0 OUTLIER 'General case' 0 C--N 1.374 1.631 0 C-N-CA 129.436 3.094 . . . . 3.61 114.377 163.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 68.8 mt -131.83 -168.08 1.97 Allowed 'General case' 0 C--N 1.365 1.252 0 O-C-N 121.239 -0.913 . . . . 1.12 111.425 -178.405 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 64.4 p -98.32 147.6 33.35 Favored Pre-proline 0 C--N 1.371 1.511 0 C-N-CA 128.066 2.546 . . . . 1.36 108.803 175.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_exo -61.83 -18.46 60.98 Favored 'Trans proline' 0 C--N 1.366 1.454 1 C-N-CA 126.171 4.58 . . . . 1.0 116.576 172.58 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.6 t -88.25 -30.84 19.38 Favored 'General case' 0 C--N 1.365 1.247 0 C-N-CA 126.683 1.993 . . . . 1.13 111.332 -176.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -83.12 -31.44 27.23 Favored 'General case' 0 C--N 1.371 1.535 0 CA-C-N 119.845 1.202 . . . . 1.04 112.161 178.159 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.1 p -67.69 -42.0 85.97 Favored 'Isoleucine or valine' 0 C--N 1.382 1.993 0 C-N-CA 124.237 1.015 . . . . 1.07 112.907 169.511 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.08 -48.66 73.22 Favored 'General case' 0 C--N 1.372 1.555 0 C-N-CA 127.075 2.15 . . . . 1.54 115.781 172.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.288 5.9 mt -86.56 -8.48 11.08 Favored 'Isoleucine or valine' 0 C--N 1.366 1.305 0 N-CA-C 114.961 1.467 . . . . 1.32 114.961 -178.511 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 34.1 t90 -74.28 -42.65 59.23 Favored 'General case' 0 C--N 1.379 1.866 0 CA-C-N 120.097 1.317 . . . . 0.28 111.325 166.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -83.64 -10.88 57.91 Favored 'General case' 0 C--N 1.368 1.377 0 C-N-CA 126.166 1.786 . . . . 0.46 113.766 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -76.58 -42.1 43.92 Favored 'General case' 0 C--N 1.359 0.984 0 C-N-CA 127.345 2.258 . . . . 1.34 112.294 170.301 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -91.69 -23.13 19.9 Favored 'General case' 0 C--N 1.366 1.31 0 C-N-CA 125.71 1.604 . . . . 0.56 113.9 -173.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 2.3 m80 . . . . . 0 C--N 1.364 1.234 0 N-CA-C 115.457 1.651 . . . . 2.39 115.457 -175.208 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 13.3 m . . . . . 0 N--CA 1.472 0.631 0 N-CA-C 115.974 1.842 . . . . 1.31 115.974 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 50.1 pttt -78.59 6.33 8.96 Favored 'General case' 0 C--N 1.373 1.599 0 C-N-CA 127.502 2.321 . . . . 3.73 115.417 -173.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.31 -52.47 5.87 Favored 'General case' 0 C--N 1.361 1.082 0 C-N-CA 127.195 2.198 . . . . 1.13 110.847 160.402 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 44.4 mm-40 -66.64 -50.28 63.47 Favored 'General case' 0 C--N 1.375 1.706 0 C-N-CA 128.804 2.841 . . . . 0.86 113.494 -177.018 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 59.9 p -70.48 -35.2 73.14 Favored 'General case' 0 C--N 1.366 1.298 0 C-N-CA 126.953 2.101 . . . . 1.12 113.26 -178.049 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 51.8 t80 -64.44 -49.74 70.27 Favored 'General case' 0 C--N 1.367 1.361 0 C-N-CA 127.748 2.419 . . . . 1.22 113.273 178.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -74.4 -34.75 63.37 Favored 'General case' 0 C--N 1.358 0.958 0 N-CA-C 115.326 1.602 . . . . 1.06 115.326 -176.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 90.3 mt -70.79 -43.36 68.86 Favored 'General case' 0 C--N 1.363 1.164 0 C-N-CA 126.1 1.76 . . . . 1.05 114.486 177.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 75.9 mt-10 -69.34 -32.62 71.83 Favored 'General case' 0 C--N 1.363 1.191 0 C-N-CA 127.222 2.209 . . . . 1.66 115.404 173.286 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.8 ptm180 -79.04 -27.01 43.13 Favored 'General case' 0 C--N 1.369 1.431 0 N-CA-C 115.016 1.487 . . . . 2.54 115.016 -178.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 38.0 mmm-85 -76.18 -30.25 57.98 Favored 'General case' 0 C--N 1.368 1.407 0 C-N-CA 124.158 0.983 . . . . 1.89 112.334 164.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -68.1 -34.23 76.01 Favored 'General case' 0 C--N 1.375 1.708 0 C-N-CA 126.879 2.072 . . . . 0.83 114.037 -174.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 45.6 mmt-85 -77.24 -21.44 53.74 Favored 'General case' 0 C--N 1.364 1.203 0 C-N-CA 125.454 1.502 . . . . 4.57 114.766 178.12 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 65.3 tp60 -94.04 -27.99 15.99 Favored 'General case' 0 N--CA 1.433 -1.315 0 C-N-CA 128.344 2.657 . . . . 2.53 112.53 178.391 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -171.15 152.83 3.53 Favored 'General case' 0 C--N 1.367 1.362 0 N-CA-C 107.024 -1.473 . . . . 2.04 107.024 -168.066 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 23.8 mmt85 -105.07 -34.62 7.91 Favored 'General case' 0 C--N 1.361 1.099 0 C-N-CA 125.122 1.369 . . . . 4.25 110.369 -177.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 52.9 m-85 -122.89 139.74 53.72 Favored 'General case' 0 C--N 1.356 0.888 0 C-N-CA 125.379 1.471 . . . . 5.9 107.576 179.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -144.47 122.21 11.9 Favored 'General case' 0 CA--C 1.502 -0.894 0 N-CA-C 102.455 -3.165 . . . . 1.23 102.455 -169.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 25.6 p -86.8 165.85 15.68 Favored 'General case' 0 C--N 1.366 1.293 0 C-N-CA 127.73 2.412 . . . . 2.04 110.724 -170.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.63 -37.27 15.98 Favored Pre-proline 0 C--N 1.367 1.333 0 N-CA-C 120.683 3.586 . . . . 1.23 120.683 -170.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -67.7 -29.79 35.42 Favored 'Trans proline' 0 C--N 1.361 1.19 0 C-N-CA 124.337 3.358 . . . . 1.03 115.006 175.082 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -102.22 -21.04 14.44 Favored 'General case' 0 C--N 1.361 1.094 0 C-N-CA 126.605 1.962 . . . . 1.7 114.603 177.363 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 43.0 ttp180 -80.66 -41.67 23.41 Favored 'General case' 0 C--N 1.372 1.576 0 C-N-CA 126.453 1.901 . . . . 3.04 112.059 -178.439 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -80.42 -22.07 41.56 Favored 'General case' 0 C--N 1.367 1.344 0 C-N-CA 127.402 2.281 . . . . 1.74 111.861 -178.432 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 21.2 t60 -82.53 -26.23 32.68 Favored 'General case' 0 C--N 1.367 1.333 0 C-N-CA 127.84 2.456 . . . . 2.01 111.299 177.282 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -75.8 -31.65 59.54 Favored 'General case' 0 C--N 1.368 1.398 0 C-N-CA 128.423 2.689 . . . . 1.19 112.07 172.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.32 -28.53 42.15 Favored 'General case' 0 C--N 1.365 1.28 0 C-N-CA 128.067 2.547 . . . . 1.07 113.21 177.042 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 70.4 m -85.21 -25.06 27.57 Favored 'General case' 0 C--N 1.361 1.083 0 C-N-CA 126.053 1.741 . . . . 1.03 113.414 174.443 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -73.71 -41.52 62.46 Favored 'General case' 0 C--N 1.362 1.11 0 C-N-CA 127.628 2.371 . . . . 2.35 112.231 175.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.3 pt -105.64 -15.31 8.62 Favored 'Isoleucine or valine' 0 C--N 1.364 1.239 0 C-N-CA 123.768 0.827 . . . . 1.07 112.577 -171.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 7.9 tpp180 85.19 65.42 0.01 OUTLIER 'General case' 0 C--N 1.372 1.555 0 C-N-CA 128.748 2.819 . . . . 3.61 114.057 171.161 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 92.0 mt -136.25 -172.8 3.23 Favored 'General case' 0 C--N 1.363 1.173 0 O-C-N 121.436 -0.79 . . . . 1.12 109.485 175.087 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 81.9 p -94.48 147.21 32.87 Favored Pre-proline 0 C--N 1.371 1.521 0 C-N-CA 127.876 2.47 . . . . 1.36 108.758 177.036 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_exo -60.98 -21.62 71.98 Favored 'Trans proline' 0 C--N 1.364 1.344 1 C-N-CA 126.226 4.617 . . . . 1.0 116.52 172.659 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.4 t -88.45 -29.03 20.48 Favored 'General case' 0 C--N 1.366 1.311 0 C-N-CA 125.99 1.716 . . . . 1.13 111.281 -175.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -82.6 -32.23 28.51 Favored 'General case' 0 C--N 1.372 1.55 0 CA-C-N 119.672 1.124 . . . . 1.04 112.513 177.478 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.9 p -68.29 -42.35 84.38 Favored 'Isoleucine or valine' 0 C--N 1.38 1.901 0 C-N-CA 125.158 1.383 . . . . 1.07 112.708 172.641 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.31 -49.91 72.96 Favored 'General case' 0 C--N 1.372 1.577 0 C-N-CA 128.409 2.684 . . . . 1.54 114.105 172.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.285 6.1 mt -85.44 -5.28 9.66 Favored 'Isoleucine or valine' 0 C--N 1.367 1.33 0 N-CA-C 115.078 1.51 . . . . 1.32 115.078 -179.589 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 28.9 t90 -74.43 -43.17 57.43 Favored 'General case' 0 C--N 1.378 1.837 0 C-N-CA 125.586 1.554 . . . . 0.28 110.762 166.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -83.14 -15.64 49.92 Favored 'General case' 0 C--N 1.37 1.488 0 C-N-CA 125.703 1.601 . . . . 0.46 113.663 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -76.22 -36.96 58.33 Favored 'General case' 0 C--N 1.364 1.204 0 C-N-CA 127.354 2.261 . . . . 1.34 112.32 174.473 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 72.5 m-20 -89.26 -21.48 23.19 Favored 'General case' 0 C--N 1.365 1.241 0 C-N-CA 126.446 1.898 . . . . 0.56 113.292 -177.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 1.2 m80 . . . . . 0 C--N 1.365 1.254 0 N-CA-C 115.879 1.807 . . . . 2.39 115.879 -172.44 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 30.1 m . . . . . 0 CA--C 1.522 -0.116 0 N-CA-C 106.72 -1.585 . . . . 1.31 106.72 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.14 -11.85 60.17 Favored 'General case' 0 C--N 1.367 1.354 0 C-N-CA 127.028 2.131 . . . . 3.73 116.608 -168.076 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -80.22 -36.17 35.13 Favored 'General case' 0 C--N 1.365 1.278 0 C-N-CA 126.536 1.935 . . . . 1.13 112.584 172.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 45.6 mm-40 -77.44 -42.96 34.08 Favored 'General case' 0 C--N 1.368 1.38 0 C-N-CA 127.879 2.472 . . . . 0.86 111.111 -173.409 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 82.0 p -70.41 -35.17 73.28 Favored 'General case' 0 C--N 1.371 1.513 0 C-N-CA 127.181 2.193 . . . . 1.12 112.447 178.535 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -62.79 -50.84 69.43 Favored 'General case' 0 C--N 1.372 1.562 0 C-N-CA 128.906 2.882 . . . . 1.22 112.959 177.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.451 ' HB3' HD21 ' A' ' 42' ' ' LEU . 75.3 mm-40 -74.04 -37.49 64.3 Favored 'General case' 0 C--N 1.359 0.982 0 C-N-CA 125.905 1.682 . . . . 1.06 115.377 -175.571 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 80.6 mt -67.85 -44.58 76.84 Favored 'General case' 0 C--N 1.368 1.389 0 C-N-CA 126.104 1.761 . . . . 1.05 114.255 177.183 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -68.29 -30.32 69.3 Favored 'General case' 0 C--N 1.364 1.213 0 C-N-CA 126.36 1.864 . . . . 1.66 114.784 173.466 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . 0.312 3.6 ptm180 -72.14 -49.2 37.77 Favored 'General case' 0 C--N 1.373 1.6 0 N-CA-C 116.228 1.936 . . . . 2.54 116.228 -179.664 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.489 0.0 OUTLIER -86.0 13.05 8.16 Favored 'General case' 0 C--N 1.378 1.81 0 N-CA-C 115.282 1.586 . . . . 1.89 115.282 169.85 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -84.75 -40.29 17.45 Favored 'General case' 0 C--N 1.381 1.975 0 N-CA-C 115.656 1.725 . . . . 0.83 115.656 152.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 26.4 mmt-85 -82.46 -32.59 28.84 Favored 'General case' 0 C--N 1.367 1.359 0 CA-C-N 120.288 1.404 . . . . 4.57 114.48 -170.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -96.95 -7.69 32.54 Favored 'General case' 0 C--N 1.367 1.35 0 C-N-CA 124.884 1.274 . . . . 2.53 112.428 -179.277 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -168.42 152.79 6.05 Favored 'General case' 0 C--N 1.363 1.164 0 N-CA-C 105.541 -2.022 . . . . 2.04 105.541 -176.376 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 89.5 mtt-85 -104.21 -33.09 8.82 Favored 'General case' 0 C--N 1.361 1.072 0 C-N-CA 124.73 1.212 . . . . 4.25 108.87 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 33.6 p90 -105.87 137.89 42.99 Favored 'General case' 0 N--CA 1.441 -0.921 0 C-N-CA 127.701 2.401 . . . . 5.9 108.281 176.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.429 ' N ' HD13 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -149.81 112.76 4.84 Favored 'General case' 0 CA--C 1.502 -0.903 1 N-CA-C 98.793 -4.521 . . . . 1.23 98.793 -173.562 . . . . . . . . 4 4 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 27.3 p -91.57 170.65 9.76 Favored 'General case' 0 C--N 1.372 1.551 0 C-N-CA 126.81 2.044 . . . . 2.04 108.574 -163.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.91 -37.77 44.57 Favored Pre-proline 0 C--N 1.366 1.298 0 N-CA-C 119.466 3.136 . . . . 1.23 119.466 -172.308 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_exo -68.9 -18.93 40.94 Favored 'Trans proline' 0 C--N 1.361 1.226 0 C-N-CA 124.607 3.538 . . . . 1.03 115.844 170.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -110.81 -25.63 9.78 Favored 'General case' 0 C--N 1.362 1.151 0 C-N-CA 126.584 1.954 . . . . 1.7 115.72 177.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 38.0 ttm180 -79.85 -41.45 26.29 Favored 'General case' 0 C--N 1.372 1.579 0 C-N-CA 128.546 2.738 . . . . 3.04 110.417 178.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -84.35 -22.66 30.48 Favored 'General case' 0 C--N 1.371 1.535 0 C-N-CA 126.064 1.746 . . . . 1.74 112.412 -177.221 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 47.5 t-80 -85.06 -22.66 28.88 Favored 'General case' 0 C--N 1.365 1.27 0 C-N-CA 127.905 2.482 . . . . 2.01 111.194 177.547 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.451 HD21 ' HB3' ' A' ' 23' ' ' GLU . 3.1 tm? -70.55 -37.71 74.07 Favored 'General case' 0 C--N 1.366 1.304 0 C-N-CA 129.277 3.031 . . . . 1.19 112.092 168.433 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -77.22 -27.41 53.43 Favored 'General case' 0 C--N 1.362 1.137 0 C-N-CA 128.089 2.556 . . . . 1.07 113.746 176.344 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 60.0 m -85.23 -30.93 23.45 Favored 'General case' 0 C--N 1.36 1.057 0 C-N-CA 125.454 1.502 . . . . 1.03 113.893 175.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 39.8 tp -78.77 -33.61 46.25 Favored 'General case' 0 C--N 1.362 1.15 0 C-N-CA 126.926 2.09 . . . . 2.35 112.271 179.171 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -100.3 -21.41 5.13 Favored 'Isoleucine or valine' 0 C--N 1.367 1.353 0 C-N-CA 124.335 1.054 . . . . 1.07 111.173 -176.666 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 21.1 tpt180 91.5 60.43 0.0 OUTLIER 'General case' 0 C--N 1.373 1.597 0 C-N-CA 129.25 3.02 . . . . 3.61 113.961 163.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 73.2 mt -131.41 -164.9 1.5 Allowed 'General case' 0 C--N 1.362 1.131 0 C-N-CA 124.103 0.961 . . . . 1.12 109.983 178.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 70.2 p -99.16 147.17 32.9 Favored Pre-proline 0 C--N 1.369 1.429 0 C-N-CA 127.449 2.3 . . . . 1.36 108.906 174.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -60.99 -18.85 60.08 Favored 'Trans proline' 0 C--N 1.365 1.397 1 C-N-CA 126.21 4.607 . . . . 1.0 116.897 170.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.8 t -88.34 -28.83 20.75 Favored 'General case' 0 C--N 1.365 1.24 0 C-N-CA 127.036 2.135 . . . . 1.13 111.29 -177.242 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -84.56 -31.51 24.34 Favored 'General case' 0 C--N 1.373 1.592 0 CA-C-N 119.938 1.245 . . . . 1.04 112.363 177.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.7 p -67.03 -41.77 87.71 Favored 'Isoleucine or valine' 0 C--N 1.383 2.055 0 C-N-CA 124.348 1.059 . . . . 1.07 112.52 168.42 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.14 -49.12 72.6 Favored 'General case' 0 C--N 1.368 1.408 0 C-N-CA 126.876 2.07 . . . . 1.54 115.868 172.678 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.303 6.5 mt -86.88 -7.19 10.89 Favored 'Isoleucine or valine' 0 C--N 1.367 1.361 0 N-CA-C 115.496 1.665 . . . . 1.32 115.496 -178.278 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 50.7 t90 -73.94 -41.86 61.42 Favored 'General case' 0 C--N 1.377 1.795 0 CA-C-N 119.872 1.215 . . . . 0.28 110.884 164.278 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -82.11 -18.64 42.26 Favored 'General case' 0 C--N 1.368 1.389 0 C-N-CA 126.301 1.84 . . . . 0.46 113.379 179.586 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -75.69 -36.67 59.97 Favored 'General case' 0 C--N 1.368 1.39 0 C-N-CA 127.5 2.32 . . . . 1.34 112.55 177.186 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -88.01 -17.68 30.65 Favored 'General case' 0 C--N 1.363 1.187 0 C-N-CA 126.326 1.85 . . . . 0.56 113.077 179.608 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 2.0 m80 . . . . . 0 C--N 1.365 1.269 0 C-N-CA 125.981 1.712 . . . . 2.39 114.439 -175.1 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.0 m . . . . . 0 N--CA 1.465 0.316 0 N-CA-C 110.764 -0.087 . . . . 1.31 110.764 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.8 3.27 14.67 Favored 'General case' 0 C--N 1.37 1.458 0 C-N-CA 127.369 2.268 . . . . 3.73 116.604 -167.683 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.2 -49.08 8.51 Favored 'General case' 0 C--N 1.362 1.11 0 C-N-CA 126.362 1.865 . . . . 1.13 111.723 162.43 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 52.1 mm-40 -75.96 -44.18 41.14 Favored 'General case' 0 C--N 1.367 1.348 0 C-N-CA 128.281 2.632 . . . . 0.86 112.653 -170.146 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 60.0 p -75.18 -29.01 60.27 Favored 'General case' 0 C--N 1.37 1.489 0 C-N-CA 127.416 2.286 . . . . 1.12 112.021 -178.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -66.14 -49.87 65.95 Favored 'General case' 0 C--N 1.368 1.403 0 C-N-CA 128.338 2.655 . . . . 1.22 112.374 176.472 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 -72.92 -36.84 67.34 Favored 'General case' 0 C--N 1.362 1.15 0 N-CA-C 115.37 1.618 . . . . 1.06 115.37 -177.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 96.3 mt -70.47 -41.8 72.27 Favored 'General case' 0 C--N 1.362 1.131 0 C-N-CA 125.545 1.538 . . . . 1.05 114.916 178.397 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -71.57 -32.59 68.26 Favored 'General case' 0 C--N 1.363 1.178 0 C-N-CA 125.998 1.719 . . . . 1.66 115.054 174.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.9 ptm180 -75.78 -41.16 53.73 Favored 'General case' 0 C--N 1.373 1.609 0 N-CA-C 114.706 1.373 . . . . 2.54 114.706 -177.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.515 1.7 ptm180 -86.31 5.41 34.71 Favored 'General case' 0 C--N 1.368 1.371 0 N-CA-C 115.426 1.639 . . . . 1.89 115.426 170.765 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -82.5 -38.68 23.52 Favored 'General case' 0 C--N 1.376 1.741 0 C-N-CA 126.258 1.823 . . . . 0.83 114.568 155.409 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 35.0 mmt-85 -78.33 -38.24 42.63 Favored 'General case' 0 C--N 1.369 1.425 0 C-N-CA 125.785 1.634 . . . . 4.57 113.288 -174.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 66.9 tp60 -90.09 -25.0 20.98 Favored 'General case' 0 N--CA 1.434 -1.245 0 C-N-CA 127.758 2.423 . . . . 2.53 112.439 -174.093 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -157.39 152.08 25.4 Favored 'General case' 0 C--N 1.365 1.259 0 N-CA-C 108.235 -1.024 . . . . 2.04 108.235 -173.058 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 78.5 mtt-85 -105.82 -37.24 6.76 Favored 'General case' 0 C--N 1.36 1.054 0 C-N-CA 126.509 1.924 . . . . 4.25 112.704 -179.355 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -86.41 -20.2 28.55 Favored 'General case' 0 C--N 1.36 1.04 0 C-N-CA 128.374 2.67 . . . . 5.9 115.627 -144.01 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . 0.384 0.0 OUTLIER -33.92 104.21 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.823 1 C-N-CA 132.743 4.417 . . . . 1.23 115.667 -167.961 . . . . . . . . 4 3 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 27.5 p -94.01 169.49 10.23 Favored 'General case' 0 C--N 1.366 1.284 0 C-N-CA 128.923 2.889 . . . . 2.04 109.225 -167.488 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -46.78 -36.2 6.57 Favored Pre-proline 0 C--N 1.367 1.352 0 N-CA-C 120.745 3.609 . . . . 1.23 120.745 -173.579 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -67.1 -30.57 38.28 Favored 'Trans proline' 0 C--N 1.359 1.098 0 C-N-CA 124.283 3.322 . . . . 1.03 115.138 173.208 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -104.54 -22.07 13.33 Favored 'General case' 0 C--N 1.363 1.177 0 C-N-CA 126.421 1.888 . . . . 1.7 114.925 178.557 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 58.1 ttp85 -80.79 -37.08 30.87 Favored 'General case' 0 C--N 1.375 1.703 0 C-N-CA 126.791 2.036 . . . . 3.04 110.926 179.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -82.52 -21.56 35.37 Favored 'General case' 0 C--N 1.373 1.623 0 C-N-CA 126.165 1.786 . . . . 1.74 112.787 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 45.0 t-80 -81.58 -25.35 35.84 Favored 'General case' 0 C--N 1.364 1.236 0 C-N-CA 128.183 2.593 . . . . 2.01 111.108 176.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -71.75 -36.83 70.55 Favored 'General case' 0 C--N 1.367 1.369 0 C-N-CA 128.827 2.851 . . . . 1.19 112.636 169.294 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -77.35 -26.53 52.08 Favored 'General case' 0 C--N 1.362 1.142 0 C-N-CA 127.566 2.346 . . . . 1.07 113.628 178.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 64.2 m -85.15 -28.69 25.35 Favored 'General case' 0 C--N 1.361 1.077 0 C-N-CA 126.155 1.782 . . . . 1.03 113.227 173.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 45.4 tp -77.4 -35.93 53.84 Favored 'General case' 0 C--N 1.363 1.195 0 C-N-CA 127.261 2.224 . . . . 2.35 112.496 177.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.4 pt -101.45 -21.64 5.05 Favored 'Isoleucine or valine' 0 C--N 1.367 1.343 0 C-N-CA 124.327 1.051 . . . . 1.07 111.476 -175.483 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 23.8 tpt180 83.2 66.15 0.02 OUTLIER 'General case' 0 C--N 1.372 1.553 0 C-N-CA 128.875 2.87 . . . . 3.61 113.954 172.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 76.1 mt -136.0 -173.06 3.28 Favored 'General case' 0 C--N 1.36 1.041 0 N-CA-C 108.161 -1.052 . . . . 1.12 108.161 172.577 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 61.9 p -90.21 146.25 34.42 Favored Pre-proline 0 C--N 1.372 1.549 0 C-N-CA 126.584 1.953 . . . . 1.36 109.428 178.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -58.31 -22.39 57.51 Favored 'Trans proline' 0 C--N 1.363 1.311 1 C-N-CA 126.384 4.722 . . . . 1.0 117.341 171.097 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.8 t -89.32 -28.27 19.96 Favored 'General case' 0 C--N 1.366 1.287 0 C-N-CA 125.553 1.541 . . . . 1.13 111.354 -176.044 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -82.37 -31.7 29.61 Favored 'General case' 0 C--N 1.372 1.583 0 CA-C-N 119.662 1.119 . . . . 1.04 112.231 177.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.1 p -70.69 -42.88 77.81 Favored 'Isoleucine or valine' 0 C--N 1.378 1.839 0 C-N-CA 124.775 1.23 . . . . 1.07 113.167 171.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -55.92 -49.73 72.66 Favored 'General case' 0 C--N 1.377 1.793 0 C-N-CA 127.613 2.365 . . . . 1.54 114.53 174.06 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.273 7.4 mt -88.52 -6.4 10.74 Favored 'Isoleucine or valine' 0 C--N 1.363 1.168 0 N-CA-C 114.378 1.251 . . . . 1.32 114.378 -176.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 33.2 t90 -75.37 -42.14 54.72 Favored 'General case' 0 C--N 1.381 1.955 0 C-N-CA 125.685 1.594 . . . . 0.28 110.821 167.22 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -82.35 -14.09 55.86 Favored 'General case' 0 C--N 1.368 1.409 0 C-N-CA 126.812 2.045 . . . . 0.46 113.398 -179.024 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -76.98 -43.14 36.11 Favored 'General case' 0 C--N 1.36 1.061 0 C-N-CA 127.635 2.374 . . . . 1.34 111.85 171.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 -94.58 -15.82 23.75 Favored 'General case' 0 C--N 1.362 1.136 0 C-N-CA 126.629 1.972 . . . . 0.56 114.151 -168.166 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 9.0 m80 . . . . . 0 C--N 1.362 1.149 0 C-N-CA 126.07 1.748 . . . . 2.39 113.629 172.805 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 29.3 m . . . . . 0 CA--C 1.516 -0.362 0 N-CA-C 108.458 -0.942 . . . . 1.31 108.458 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 68.1 mttt -83.38 15.98 2.75 Favored 'General case' 0 C--N 1.372 1.549 0 C-N-CA 126.543 1.937 . . . . 3.73 115.809 -163.647 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.47 -51.11 6.75 Favored 'General case' 0 C--N 1.361 1.09 0 C-N-CA 125.982 1.713 . . . . 1.13 111.94 153.609 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 39.2 mm-40 -79.41 -49.67 11.99 Favored 'General case' 0 C--N 1.368 1.405 0 C-N-CA 128.734 2.814 . . . . 0.86 111.926 -167.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 79.7 p -64.14 -36.68 84.82 Favored 'General case' 0 C--N 1.375 1.71 0 C-N-CA 128.301 2.64 . . . . 1.12 112.295 177.297 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 53.1 t80 -59.84 -59.08 6.01 Favored 'General case' 0 C--N 1.369 1.452 0 C-N-CA 129.02 2.928 . . . . 1.22 112.804 177.517 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -68.11 -34.27 76.08 Favored 'General case' 0 C--N 1.368 1.383 0 N-CA-C 115.404 1.631 . . . . 1.06 115.404 -175.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 97.7 mt -67.85 -37.74 82.25 Favored 'General case' 0 C--N 1.363 1.186 0 C-N-CA 127.026 2.131 . . . . 1.05 115.868 175.302 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -76.53 -27.42 55.95 Favored 'General case' 0 C--N 1.359 1.007 0 C-N-CA 126.57 1.948 . . . . 1.66 114.404 177.08 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.7 mtm180 -71.56 -43.58 66.07 Favored 'General case' 0 C--N 1.372 1.576 0 C-N-CA 123.985 0.914 . . . . 2.54 112.247 175.423 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.314 26.8 mmm-85 -71.53 -22.94 61.71 Favored 'General case' 0 C--N 1.383 2.042 0 N-CA-C 112.568 0.581 . . . . 1.89 112.568 176.619 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 31.0 t80 -70.23 -28.93 65.65 Favored 'General case' 0 C--N 1.376 1.747 0 C-N-CA 128.09 2.556 . . . . 0.83 113.991 171.521 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 35.5 mmt-85 -79.89 -21.19 44.29 Favored 'General case' 0 C--N 1.367 1.367 0 C-N-CA 124.956 1.302 . . . . 4.57 113.409 178.489 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 64.4 tp60 -93.12 -30.66 15.14 Favored 'General case' 0 N--CA 1.429 -1.5 0 C-N-CA 127.57 2.348 . . . . 2.53 112.04 176.317 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -172.58 -179.06 2.08 Favored 'General case' 0 C--N 1.372 1.573 0 CA-C-O 123.085 1.421 . . . . 2.04 109.755 -175.135 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -106.37 -53.56 2.61 Favored 'General case' 0 N--CA 1.438 -1.045 0 C-N-CA 128.838 2.855 . . . . 4.25 109.73 -171.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -121.68 141.02 51.56 Favored 'General case' 0 CA--C 1.498 -1.034 0 C-N-CA 127.353 2.261 . . . . 5.9 106.862 -175.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -140.58 124.14 16.99 Favored 'General case' 0 N--CA 1.437 -1.083 0 N-CA-C 102.846 -3.02 . . . . 1.23 102.846 -168.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 9.2 m -82.47 160.27 22.72 Favored 'General case' 0 C--N 1.366 1.301 0 C-N-CA 127.248 2.219 . . . . 2.04 111.566 -173.364 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.65 -36.39 12.33 Favored Pre-proline 0 C--N 1.367 1.357 0 N-CA-C 120.965 3.691 . . . . 1.23 120.965 -168.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_exo -67.76 -28.19 37.06 Favored 'Trans proline' 0 C--N 1.36 1.14 0 C-N-CA 124.147 3.232 . . . . 1.03 114.986 175.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.28 0.9 OUTLIER -105.19 -21.55 13.24 Favored 'General case' 0 C--N 1.361 1.077 0 C-N-CA 126.797 2.039 . . . . 1.7 115.042 177.314 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 42.3 ttp180 -77.01 -41.62 41.99 Favored 'General case' 0 C--N 1.375 1.706 0 C-N-CA 126.849 2.06 . . . . 3.04 112.753 177.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -81.85 -20.79 38.24 Favored 'General case' 0 C--N 1.363 1.176 0 C-N-CA 126.982 2.113 . . . . 1.74 112.274 -177.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 45.2 t-80 -81.74 -27.84 33.65 Favored 'General case' 0 C--N 1.365 1.277 0 C-N-CA 128.498 2.719 . . . . 2.01 111.705 176.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -64.01 -53.47 49.55 Favored 'General case' 0 C--N 1.371 1.526 0 C-N-CA 129.016 2.926 . . . . 1.19 111.49 170.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.31 -28.61 69.83 Favored 'General case' 0 C--N 1.356 0.878 0 C-N-CA 130.232 3.413 . . . . 1.07 116.487 176.46 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 74.6 m -83.87 -26.99 28.98 Favored 'General case' 0 C--N 1.361 1.073 0 C-N-CA 125.737 1.615 . . . . 1.03 112.964 174.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 33.0 tp -78.41 -35.54 46.94 Favored 'General case' 0 C--N 1.361 1.085 0 C-N-CA 126.948 2.099 . . . . 2.35 112.966 175.194 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.2 pt -106.26 -1.71 9.94 Favored 'Isoleucine or valine' 0 C--N 1.368 1.387 0 C-N-CA 125.087 1.355 . . . . 1.07 112.258 -174.263 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 81.07 42.13 0.05 OUTLIER 'General case' 0 C--N 1.371 1.533 0 C-N-CA 128.991 2.917 . . . . 3.61 115.675 162.089 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 96.8 mt -124.36 -172.4 2.54 Favored 'General case' 0 C--N 1.357 0.909 0 O-C-N 121.31 -0.869 . . . . 1.12 109.953 -175.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.405 HG22 ' H ' ' A' ' 51' ' ' THR . 68.9 p -95.75 147.47 33.05 Favored Pre-proline 0 C--N 1.365 1.262 0 C-N-CA 127.624 2.37 . . . . 1.36 108.633 179.447 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_exo -58.64 -23.53 66.02 Favored 'Trans proline' 0 C--N 1.363 1.295 1 C-N-CA 126.462 4.775 . . . . 1.0 117.104 170.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.405 ' H ' HG22 ' A' ' 49' ' ' THR . 12.2 t -89.43 -30.17 18.52 Favored 'General case' 0 C--N 1.365 1.266 0 C-N-CA 125.898 1.679 . . . . 1.13 111.343 -175.355 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -79.35 -34.4 42.16 Favored 'General case' 0 C--N 1.375 1.682 0 CA-C-N 119.727 1.149 . . . . 1.04 111.968 178.048 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 11.5 p -67.37 -46.21 84.14 Favored 'Isoleucine or valine' 0 C--N 1.381 1.952 0 C-N-CA 125.293 1.437 . . . . 1.07 113.157 172.426 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.08 -43.76 95.26 Favored 'General case' 0 C--N 1.375 1.679 0 C-N-CA 126.02 1.728 . . . . 1.54 115.084 177.815 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.273 9.0 mt -85.05 -6.21 10.23 Favored 'Isoleucine or valine' 0 C--N 1.368 1.393 0 N-CA-C 114.941 1.46 . . . . 1.32 114.941 177.081 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 47.1 t90 -71.74 -41.98 67.82 Favored 'General case' 0 C--N 1.381 1.949 0 C-N-CA 125.283 1.433 . . . . 0.28 110.777 164.44 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -81.49 -17.12 49.74 Favored 'General case' 0 C--N 1.369 1.453 0 C-N-CA 126.273 1.829 . . . . 0.46 114.272 -179.675 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -77.33 -37.03 53.32 Favored 'General case' 0 C--N 1.362 1.14 0 C-N-CA 127.278 2.231 . . . . 1.34 111.648 174.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 64.0 m-20 -90.7 -21.58 21.55 Favored 'General case' 0 C--N 1.364 1.213 0 C-N-CA 126.438 1.895 . . . . 0.56 113.458 -176.212 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 1.5 m80 . . . . . 0 C--N 1.367 1.334 0 C-N-CA 125.767 1.627 . . . . 2.39 114.926 -175.7 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 17.1 m . . . . . 0 N--CA 1.464 0.24 0 N-CA-C 109.168 -0.679 . . . . 1.31 109.168 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 50.8 pttt -78.48 -0.62 30.14 Favored 'General case' 0 C--N 1.367 1.364 0 C-N-CA 126.928 2.091 . . . . 3.73 116.148 -170.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.95 -43.32 14.13 Favored 'General case' 0 C--N 1.363 1.163 0 C-N-CA 126.596 1.959 . . . . 1.13 112.133 165.639 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 49.7 mm-40 -73.42 -48.35 34.51 Favored 'General case' 0 C--N 1.367 1.338 0 C-N-CA 129.144 2.978 . . . . 0.86 113.07 -174.41 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 69.5 p -72.16 -30.88 65.43 Favored 'General case' 0 C--N 1.372 1.544 0 C-N-CA 127.781 2.432 . . . . 1.12 111.93 -178.286 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -60.78 -59.27 5.65 Favored 'General case' 0 C--N 1.373 1.604 0 C-N-CA 128.694 2.798 . . . . 1.22 112.227 173.105 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -67.93 -35.37 78.31 Favored 'General case' 0 C--N 1.368 1.372 0 C-N-CA 126.37 1.868 . . . . 1.06 114.861 -174.002 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 89.9 mt -69.99 -43.34 71.65 Favored 'General case' 0 C--N 1.363 1.157 0 C-N-CA 125.906 1.682 . . . . 1.05 114.452 177.539 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -71.32 -32.41 68.56 Favored 'General case' 0 C--N 1.364 1.213 0 N-CA-C 115.785 1.772 . . . . 1.66 115.785 174.072 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . 0.26 0.0 OUTLIER -78.66 -37.18 42.55 Favored 'General case' 0 C--N 1.371 1.517 0 C-N-CA 124.814 1.245 . . . . 2.54 114.073 -174.267 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.541 3.3 ptm180 -86.28 5.21 35.55 Favored 'General case' 0 C--N 1.365 1.277 0 N-CA-C 117.188 2.292 . . . . 1.89 117.188 164.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 23.4 t80 -83.89 -40.52 18.51 Favored 'General case' 0 C--N 1.372 1.569 0 CA-C-N 120.128 1.331 . . . . 0.83 114.467 154.403 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 13.4 mmt85 -75.95 -33.4 59.81 Favored 'General case' 0 C--N 1.368 1.407 0 C-N-CA 126.932 2.093 . . . . 4.57 113.318 -174.104 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 65.3 tp60 -90.9 -26.5 19.3 Favored 'General case' 0 N--CA 1.433 -1.309 0 C-N-CA 127.742 2.417 . . . . 2.53 112.246 -176.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -162.11 150.39 14.84 Favored 'General case' 0 C--N 1.366 1.306 0 N-CA-C 108.544 -0.91 . . . . 2.04 108.544 -169.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 84.0 mtt-85 -106.04 -37.63 6.56 Favored 'General case' 0 C--N 1.359 0.993 0 C-N-CA 126.656 1.983 . . . . 4.25 112.775 -178.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 2.5 p90 -82.39 -17.06 46.82 Favored 'General case' 0 C--N 1.359 0.993 0 C-N-CA 128.795 2.838 . . . . 5.9 117.891 -150.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . 0.391 0.0 OUTLIER -34.32 103.95 0.03 OUTLIER 'General case' 0 N--CA 1.501 2.122 1 C-N-CA 132.767 4.427 . . . . 1.23 115.137 -178.247 . . . . . . . . 4 3 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 25.4 p -109.79 170.59 7.97 Favored 'General case' 0 C--N 1.363 1.167 0 C-N-CA 127.956 2.502 . . . . 2.04 107.497 -167.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . 0.256 . . -37.06 -41.46 0.75 Allowed Pre-proline 0 C--N 1.368 1.396 1 N-CA-C 122.077 4.103 . . . . 1.23 122.077 -169.567 . . . . . . . . 3 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -67.81 -29.27 35.52 Favored 'Trans proline' 0 C--N 1.36 1.134 0 C-N-CA 124.258 3.305 . . . . 1.03 115.081 175.486 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -105.45 -26.82 11.77 Favored 'General case' 0 C--N 1.361 1.068 0 C-N-CA 126.952 2.101 . . . . 1.7 114.965 178.485 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 44.4 ttp180 -76.51 -39.8 51.98 Favored 'General case' 0 C--N 1.374 1.649 0 C-N-CA 127.476 2.311 . . . . 3.04 112.447 179.54 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -85.08 -20.09 30.91 Favored 'General case' 0 C--N 1.367 1.337 0 C-N-CA 124.879 1.271 . . . . 1.74 112.209 -178.413 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 46.2 t-80 -78.11 -24.33 47.53 Favored 'General case' 0 C--N 1.369 1.442 0 C-N-CA 128.177 2.591 . . . . 2.01 112.281 173.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.69 -51.21 66.08 Favored 'General case' 0 C--N 1.371 1.517 0 C-N-CA 129.095 2.958 . . . . 1.19 112.234 168.446 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.48 -31.29 71.26 Favored 'General case' 0 C--N 1.358 0.943 0 C-N-CA 128.575 2.75 . . . . 1.07 115.875 175.021 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 46.1 m -81.84 -28.95 32.8 Favored 'General case' 0 C--N 1.362 1.141 0 C-N-CA 125.517 1.527 . . . . 1.03 114.086 174.502 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -79.31 -36.46 39.56 Favored 'General case' 0 C--N 1.362 1.117 0 C-N-CA 127.719 2.407 . . . . 2.35 112.01 179.43 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.8 pt -99.8 -12.51 8.41 Favored 'Isoleucine or valine' 0 C--N 1.367 1.328 0 C-N-CA 125.175 1.39 . . . . 1.07 111.684 -175.253 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 15.1 tpp180 84.73 43.59 0.02 OUTLIER 'General case' 0 C--N 1.373 1.609 0 C-N-CA 128.498 2.719 . . . . 3.61 113.657 165.273 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 77.7 mt -125.16 -173.31 2.78 Favored 'General case' 0 C--N 1.359 0.997 0 C-N-CA 125.076 1.351 . . . . 1.12 108.542 178.299 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.4 HG22 ' H ' ' A' ' 51' ' ' THR . 70.2 p -89.59 143.01 29.87 Favored Pre-proline 0 C--N 1.366 1.294 0 C-N-CA 126.889 2.076 . . . . 1.36 109.949 -178.413 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_exo -60.25 -20.73 63.67 Favored 'Trans proline' 0 C--N 1.362 1.288 1 C-N-CA 126.231 4.621 . . . . 1.0 116.419 171.456 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.4 ' H ' HG22 ' A' ' 49' ' ' THR . 13.8 t -86.65 -27.44 23.8 Favored 'General case' 0 C--N 1.366 1.293 0 C-N-CA 127.198 2.199 . . . . 1.13 111.115 -178.537 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -84.17 -33.65 24.16 Favored 'General case' 0 C--N 1.374 1.633 0 CA-C-N 119.656 1.116 . . . . 1.04 112.785 179.17 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.3 p -66.64 -38.97 82.7 Favored 'Isoleucine or valine' 0 C--N 1.378 1.823 0 C-N-CA 125.192 1.397 . . . . 1.07 112.928 168.156 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.2 mmmt -54.11 -51.62 63.61 Favored 'General case' 0 C--N 1.371 1.527 0 C-N-CA 127.263 2.225 . . . . 1.54 115.936 171.261 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.266 6.8 mt -85.96 -8.72 11.17 Favored 'Isoleucine or valine' 0 C--N 1.367 1.342 0 N-CA-C 114.958 1.466 . . . . 1.32 114.958 -178.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 39.2 t90 -76.98 -41.88 41.17 Favored 'General case' 0 C--N 1.377 1.782 0 C-N-CA 125.643 1.577 . . . . 0.28 110.625 170.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -81.67 -15.26 55.07 Favored 'General case' 0 C--N 1.367 1.339 0 C-N-CA 126.492 1.917 . . . . 0.46 112.836 179.246 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -76.85 -40.06 49.07 Favored 'General case' 0 C--N 1.366 1.302 0 C-N-CA 127.806 2.442 . . . . 1.34 112.585 172.262 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 70.7 m-20 -87.74 -15.08 38.01 Favored 'General case' 0 C--N 1.365 1.258 0 C-N-CA 126.551 1.941 . . . . 0.56 112.796 -176.026 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 20.1 m80 . . . . . 0 C--N 1.363 1.163 0 C-N-CA 126.178 1.791 . . . . 2.39 114.274 172.42 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 16.9 m . . . . . 0 CA--C 1.517 -0.318 0 N-CA-C 108.969 -0.752 . . . . 1.31 108.969 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.88 0.85 19.38 Favored 'General case' 0 C--N 1.368 1.38 0 N-CA-C 117.061 2.245 . . . . 3.73 117.061 -166.355 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.1 -47.17 10.44 Favored 'General case' 0 C--N 1.36 1.042 0 C-N-CA 126.141 1.776 . . . . 1.13 111.648 163.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 42.8 mm-40 -78.48 -43.18 27.67 Favored 'General case' 0 C--N 1.368 1.412 0 C-N-CA 127.679 2.391 . . . . 0.86 111.952 -170.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 54.1 p -70.56 -32.39 69.79 Favored 'General case' 0 C--N 1.374 1.666 0 C-N-CA 126.965 2.106 . . . . 1.12 112.792 177.059 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -64.74 -49.63 70.06 Favored 'General case' 0 C--N 1.369 1.437 0 C-N-CA 127.789 2.436 . . . . 1.22 112.672 177.077 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -73.99 -35.59 64.45 Favored 'General case' 0 C--N 1.363 1.193 0 N-CA-C 115.482 1.66 . . . . 1.06 115.482 -177.099 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 87.5 mt -69.77 -43.35 72.37 Favored 'General case' 0 C--N 1.364 1.214 0 C-N-CA 126.289 1.835 . . . . 1.05 114.566 177.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -69.42 -32.68 71.81 Favored 'General case' 0 C--N 1.363 1.179 0 C-N-CA 125.961 1.704 . . . . 1.66 114.77 174.094 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.6 ptm180 -80.14 -25.23 39.96 Favored 'General case' 0 C--N 1.372 1.571 0 N-CA-C 115.499 1.666 . . . . 2.54 115.499 -177.383 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.261 40.5 mmm-85 -74.75 -29.72 61.24 Favored 'General case' 0 C--N 1.368 1.404 0 CA-C-O 118.325 -0.845 . . . . 1.89 112.358 164.699 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -66.35 -40.08 89.6 Favored 'General case' 0 C--N 1.379 1.87 0 C-N-CA 126.48 1.912 . . . . 0.83 113.655 -178.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.39 -16.05 61.85 Favored 'General case' 0 C--N 1.367 1.359 0 C-N-CA 126.614 1.966 . . . . 4.57 114.404 177.777 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 59.7 mm-40 -98.35 -32.69 11.39 Favored 'General case' 0 C--N 1.366 1.312 0 C-N-CA 126.099 1.76 . . . . 2.53 113.118 175.483 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -166.67 150.44 7.1 Favored 'General case' 0 C--N 1.367 1.347 0 N-CA-C 105.93 -1.878 . . . . 2.04 105.93 -170.021 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 74.2 mmt-85 -100.13 -34.11 10.18 Favored 'General case' 0 C--N 1.359 1.013 0 C-N-CA 125.042 1.337 . . . . 4.25 109.902 -174.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 49.3 m-85 -122.5 140.35 52.85 Favored 'General case' 0 C--N 1.357 0.931 0 C-N-CA 126.395 1.878 . . . . 5.9 106.716 177.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -144.93 121.35 10.98 Favored 'General case' 0 CA--C 1.501 -0.937 0 N-CA-C 102.634 -3.098 . . . . 1.23 102.634 -171.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 28.8 p -89.64 165.37 14.27 Favored 'General case' 0 C--N 1.366 1.309 0 C-N-CA 127.443 2.297 . . . . 2.04 110.361 -170.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.09 -35.8 9.09 Favored Pre-proline 0 C--N 1.366 1.317 0 N-CA-C 120.785 3.624 . . . . 1.23 120.785 -170.258 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_exo -67.45 -31.37 34.45 Favored 'Trans proline' 0 C--N 1.36 1.158 0 C-N-CA 124.279 3.319 . . . . 1.03 115.025 174.63 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -102.83 -20.58 14.25 Favored 'General case' 0 C--N 1.362 1.121 0 C-N-CA 126.482 1.913 . . . . 1.7 114.66 177.442 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 42.5 ttp180 -80.11 -42.0 24.41 Favored 'General case' 0 C--N 1.374 1.667 0 C-N-CA 126.481 1.912 . . . . 3.04 111.72 -179.176 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -80.41 -20.73 43.29 Favored 'General case' 0 C--N 1.367 1.368 0 C-N-CA 126.995 2.118 . . . . 1.74 112.083 -178.42 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 47.2 t-80 -80.6 -28.3 37.13 Favored 'General case' 0 C--N 1.367 1.33 0 C-N-CA 128.139 2.576 . . . . 2.01 111.661 175.533 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -74.89 -30.74 61.39 Favored 'General case' 0 C--N 1.368 1.395 0 C-N-CA 128.226 2.61 . . . . 1.19 112.149 172.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.21 -26.39 35.96 Favored 'General case' 0 C--N 1.364 1.238 0 C-N-CA 127.738 2.415 . . . . 1.07 113.011 176.559 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 68.5 m -85.14 -27.42 26.22 Favored 'General case' 0 C--N 1.36 1.052 0 C-N-CA 125.848 1.659 . . . . 1.03 113.063 174.247 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -75.65 -38.67 58.64 Favored 'General case' 0 C--N 1.363 1.177 0 C-N-CA 127.909 2.484 . . . . 2.35 112.112 177.455 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.4 pt -103.95 -17.75 7.09 Favored 'Isoleucine or valine' 0 C--N 1.367 1.356 0 C-N-CA 123.888 0.875 . . . . 1.07 112.0 -175.044 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 21.3 tpt180 88.18 63.05 0.01 OUTLIER 'General case' 0 C--N 1.371 1.541 0 C-N-CA 129.263 3.025 . . . . 3.61 114.375 167.18 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 95.8 mt -135.11 -170.5 2.59 Favored 'General case' 0 C--N 1.363 1.154 0 C-N-CA 124.319 1.047 . . . . 1.12 109.811 178.278 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 71.5 p -96.37 147.39 32.88 Favored Pre-proline 0 C--N 1.37 1.487 0 C-N-CA 127.642 2.377 . . . . 1.36 108.864 177.09 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -59.47 -19.7 53.06 Favored 'Trans proline' 0 C--N 1.365 1.419 1 C-N-CA 126.416 4.744 . . . . 1.0 117.201 171.446 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.6 t -88.86 -31.71 18.15 Favored 'General case' 0 C--N 1.365 1.253 0 C-N-CA 126.427 1.891 . . . . 1.13 111.315 -175.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -82.57 -31.01 29.25 Favored 'General case' 0 C--N 1.372 1.563 0 CA-C-N 119.762 1.164 . . . . 1.04 112.156 178.47 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 8.2 p -68.58 -42.44 83.5 Favored 'Isoleucine or valine' 0 C--N 1.381 1.97 0 C-N-CA 124.509 1.123 . . . . 1.07 112.538 170.148 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.75 -47.42 73.88 Favored 'General case' 0 C--N 1.37 1.47 0 C-N-CA 126.993 2.117 . . . . 1.54 116.081 172.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.288 5.5 mt -86.93 -8.21 11.02 Favored 'Isoleucine or valine' 0 C--N 1.367 1.338 0 N-CA-C 115.11 1.522 . . . . 1.32 115.11 -179.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 44.9 t90 -72.83 -41.63 64.65 Favored 'General case' 0 C--N 1.378 1.843 0 C-N-CA 125.164 1.385 . . . . 0.28 111.226 166.43 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -83.02 -14.43 53.96 Favored 'General case' 0 C--N 1.367 1.35 0 C-N-CA 126.115 1.766 . . . . 0.46 113.767 -179.488 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -78.08 -38.2 44.77 Favored 'General case' 0 C--N 1.361 1.071 0 C-N-CA 127.658 2.383 . . . . 1.34 112.303 174.104 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -89.89 -18.48 26.08 Favored 'General case' 0 C--N 1.367 1.335 0 C-N-CA 126.201 1.8 . . . . 0.56 113.397 -177.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 10.6 m80 . . . . . 0 C--N 1.364 1.225 0 C-N-CA 126.397 1.879 . . . . 2.39 115.192 176.64 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 21.9 m . . . . . 0 CA--C 1.52 -0.192 0 N-CA-C 108.701 -0.851 . . . . 1.31 108.701 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.0 mtpp -85.02 7.03 22.83 Favored 'General case' 0 C--N 1.369 1.456 0 C-N-CA 127.162 2.185 . . . . 3.73 114.162 -170.062 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.26 -46.81 10.67 Favored 'General case' 0 C--N 1.362 1.117 0 C-N-CA 126.718 2.007 . . . . 1.13 111.976 160.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 46.7 mm-40 -73.27 -49.82 25.57 Favored 'General case' 0 C--N 1.37 1.499 0 C-N-CA 128.745 2.818 . . . . 0.86 112.892 -171.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 73.3 p -71.52 -28.79 64.13 Favored 'General case' 0 C--N 1.367 1.363 0 C-N-CA 127.475 2.31 . . . . 1.12 112.639 -179.294 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 50.1 t80 -66.0 -52.07 52.67 Favored 'General case' 0 C--N 1.369 1.421 0 C-N-CA 128.428 2.691 . . . . 1.22 112.782 176.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -72.07 -37.35 69.65 Favored 'General case' 0 C--N 1.362 1.115 0 N-CA-C 115.321 1.6 . . . . 1.06 115.321 -177.501 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 93.4 mt -69.53 -42.2 74.97 Favored 'General case' 0 C--N 1.363 1.193 0 C-N-CA 126.29 1.836 . . . . 1.05 114.464 179.125 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -72.71 -33.04 66.18 Favored 'General case' 0 C--N 1.363 1.161 0 C-N-CA 126.28 1.832 . . . . 1.66 115.583 173.323 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.9 ptm180 -76.87 -28.91 55.6 Favored 'General case' 0 C--N 1.372 1.586 0 N-CA-C 114.961 1.467 . . . . 2.54 114.961 -176.481 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 17.5 mmt85 -76.32 -32.72 58.86 Favored 'General case' 0 C--N 1.367 1.356 0 C-N-CA 124.019 0.928 . . . . 1.89 112.584 164.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 47.4 t80 -69.67 -29.41 66.85 Favored 'General case' 0 C--N 1.371 1.543 0 CA-C-N 120.41 1.459 . . . . 0.83 114.098 -173.015 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 13.1 mmt85 -78.34 -19.38 53.6 Favored 'General case' 0 C--N 1.364 1.236 0 C-N-CA 124.629 1.171 . . . . 4.57 113.824 174.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 65.0 tp60 -98.43 -29.22 13.24 Favored 'General case' 0 N--CA 1.432 -1.375 0 C-N-CA 127.811 2.444 . . . . 2.53 112.897 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -167.56 157.4 10.5 Favored 'General case' 0 C--N 1.37 1.473 0 CA-C-N 120.153 1.342 . . . . 2.04 108.421 -165.562 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.1 mmt180 -105.95 -35.74 7.2 Favored 'General case' 0 C--N 1.373 1.597 0 C-N-CA 125.159 1.384 . . . . 4.25 108.879 172.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . 1.98 0.0 OUTLIER -88.57 103.44 15.9 Favored 'General case' 0 N--CA 1.432 -1.333 1 C-N-CA 133.748 4.819 . . . . 5.9 115.488 -164.846 . . . . . . . . 4 3 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . 0.278 0.0 OUTLIER -140.69 118.26 11.57 Favored 'General case' 0 C--N 1.363 1.157 0 N-CA-C 104.272 -2.492 . . . . 1.23 104.272 179.266 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 25.8 p -89.92 169.98 10.77 Favored 'General case' 0 C--N 1.368 1.396 0 C-N-CA 128.455 2.702 . . . . 2.04 108.996 -171.458 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.39 -35.99 18.81 Favored Pre-proline 0 C--N 1.366 1.296 0 N-CA-C 120.084 3.364 . . . . 1.23 120.084 -172.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -67.44 -26.23 40.99 Favored 'Trans proline' 0 C--N 1.36 1.159 0 C-N-CA 124.384 3.39 . . . . 1.03 115.408 172.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -107.5 -22.91 12.37 Favored 'General case' 0 C--N 1.362 1.125 0 C-N-CA 126.296 1.838 . . . . 1.7 115.087 177.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 58.4 ttm-85 -80.19 -41.33 25.48 Favored 'General case' 0 C--N 1.376 1.728 0 CA-C-N 121.45 1.932 . . . . 3.04 111.151 179.283 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -81.14 -22.89 38.7 Favored 'General case' 0 C--N 1.371 1.538 0 C-N-CA 126.266 1.826 . . . . 1.74 112.193 -177.144 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 21.6 t60 -82.89 -25.88 32.06 Favored 'General case' 0 C--N 1.366 1.295 0 C-N-CA 127.881 2.473 . . . . 2.01 111.146 177.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -76.86 -28.24 55.35 Favored 'General case' 0 C--N 1.368 1.392 0 C-N-CA 128.237 2.615 . . . . 1.19 112.216 171.294 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -80.16 -28.82 38.75 Favored 'General case' 0 C--N 1.364 1.201 0 C-N-CA 127.168 2.187 . . . . 1.07 112.716 176.012 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 62.7 m -85.12 -26.83 26.64 Favored 'General case' 0 C--N 1.361 1.089 0 C-N-CA 126.22 1.808 . . . . 1.03 113.562 174.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -75.76 -38.91 57.92 Favored 'General case' 0 C--N 1.362 1.14 0 C-N-CA 127.529 2.332 . . . . 2.35 112.013 177.168 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.5 pt -100.97 -21.38 5.13 Favored 'Isoleucine or valine' 0 C--N 1.365 1.279 0 C-N-CA 124.13 0.972 . . . . 1.07 112.538 -174.273 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 9.3 tpp180 84.24 66.25 0.01 OUTLIER 'General case' 0 C--N 1.372 1.569 0 C-N-CA 129.006 2.922 . . . . 3.61 113.472 174.306 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 70.5 mt -139.62 -172.26 3.33 Favored 'General case' 0 C--N 1.359 1.013 0 N-CA-C 107.358 -1.349 . . . . 1.12 107.358 172.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 69.2 p -95.67 148.18 34.18 Favored Pre-proline 0 C--N 1.368 1.388 0 C-N-CA 127.294 2.238 . . . . 1.36 108.461 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_exo -57.83 -23.36 58.41 Favored 'Trans proline' 0 C--N 1.362 1.259 1 C-N-CA 126.565 4.843 . . . . 1.0 117.468 170.541 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.5 t -88.1 -29.11 20.86 Favored 'General case' 0 C--N 1.365 1.263 0 C-N-CA 125.789 1.635 . . . . 1.13 111.342 -175.223 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -83.9 -33.36 24.76 Favored 'General case' 0 C--N 1.37 1.46 0 CA-C-N 119.406 1.003 . . . . 1.04 112.311 179.124 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.5 p -67.23 -41.6 86.91 Favored 'Isoleucine or valine' 0 C--N 1.38 1.897 0 C-N-CA 125.493 1.517 . . . . 1.07 113.264 170.443 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.69 -49.02 77.9 Favored 'General case' 0 C--N 1.373 1.591 0 C-N-CA 128.538 2.735 . . . . 1.54 113.868 174.066 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.29 6.3 mt -84.78 -6.02 10.04 Favored 'Isoleucine or valine' 0 C--N 1.366 1.324 0 N-CA-C 115.007 1.484 . . . . 1.32 115.007 179.518 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 28.2 t90 -73.54 -42.8 61.25 Favored 'General case' 0 C--N 1.378 1.82 0 C-N-CA 125.412 1.485 . . . . 0.28 111.26 165.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -83.24 -14.48 53.14 Favored 'General case' 0 C--N 1.369 1.441 0 C-N-CA 126.222 1.809 . . . . 0.46 113.514 -179.611 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -78.87 -38.89 36.61 Favored 'General case' 0 C--N 1.362 1.11 0 C-N-CA 127.469 2.308 . . . . 1.34 112.487 175.242 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 65.7 m-20 -89.91 -24.84 21.22 Favored 'General case' 0 C--N 1.367 1.33 0 C-N-CA 125.923 1.689 . . . . 0.56 113.647 -174.732 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 8.2 m80 . . . . . 0 C--N 1.364 1.239 0 C-N-CA 126.31 1.844 . . . . 2.39 115.74 -179.49 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 27.4 m . . . . . 0 CA--C 1.522 -0.124 0 N-CA-C 107.512 -1.292 . . . . 1.31 107.512 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 50.2 pttt -81.21 -1.15 43.65 Favored 'General case' 0 C--N 1.369 1.428 0 C-N-CA 126.807 2.043 . . . . 3.73 115.927 -169.356 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -81.46 -41.48 21.75 Favored 'General case' 0 C--N 1.364 1.217 0 C-N-CA 126.482 1.913 . . . . 1.13 112.07 166.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 37.2 mm-40 -77.33 -45.67 25.4 Favored 'General case' 0 C--N 1.365 1.259 0 C-N-CA 128.181 2.592 . . . . 0.86 112.64 -169.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 76.1 p -69.17 -36.64 77.58 Favored 'General case' 0 C--N 1.371 1.504 0 C-N-CA 127.208 2.203 . . . . 1.12 111.953 -179.256 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -60.7 -53.59 55.62 Favored 'General case' 0 C--N 1.367 1.367 0 C-N-CA 130.374 3.47 . . . . 1.22 113.487 177.348 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -72.46 -37.55 68.49 Favored 'General case' 0 C--N 1.364 1.209 0 C-N-CA 126.18 1.792 . . . . 1.06 115.315 -176.143 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 92.9 mt -68.1 -40.74 82.51 Favored 'General case' 0 C--N 1.365 1.25 0 C-N-CA 126.478 1.911 . . . . 1.05 114.75 177.211 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -70.37 -33.73 71.78 Favored 'General case' 0 C--N 1.363 1.186 0 C-N-CA 126.332 1.853 . . . . 1.66 115.08 174.148 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.7 ptp180 -76.24 -33.13 59.18 Favored 'General case' 0 C--N 1.371 1.513 0 N-CA-C 116.155 1.909 . . . . 2.54 116.155 -178.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.269 2.3 mmm180 -75.9 -21.25 57.31 Favored 'General case' 0 C--N 1.371 1.538 0 N-CA-C 113.201 0.815 . . . . 1.89 113.201 166.071 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -75.41 -23.05 56.98 Favored 'General case' 0 C--N 1.371 1.508 0 CA-C-N 120.671 1.578 . . . . 0.83 114.678 174.083 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 36.0 mmt-85 -86.06 -40.18 16.02 Favored 'General case' 0 C--N 1.364 1.23 0 C-N-CA 125.776 1.63 . . . . 4.57 113.408 177.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 66.8 tp60 -86.03 -21.34 27.8 Favored 'General case' 0 C--N 1.368 1.388 0 C-N-CA 128.202 2.601 . . . . 2.53 112.773 -177.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.3 mm100 -134.22 -176.17 4.11 Favored 'General case' 0 C--N 1.362 1.12 0 N-CA-C 106.678 -1.601 . . . . 2.04 106.678 -177.51 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 28.0 mtp85 -106.11 -58.11 1.96 Allowed 'General case' 0 C--N 1.36 1.023 0 C-N-CA 126.376 1.87 . . . . 4.25 111.396 146.468 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 47.7 p90 -121.62 148.73 44.16 Favored 'General case' 0 N--CA 1.44 -0.937 0 C-N-CA 129.374 3.07 . . . . 5.9 108.574 -157.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -152.16 120.53 6.37 Favored 'General case' 0 N--CA 1.441 -0.92 0 N-CA-C 103.904 -2.628 . . . . 1.23 103.904 -167.043 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 26.3 p -89.02 169.37 11.58 Favored 'General case' 0 C--N 1.368 1.373 0 C-N-CA 128.23 2.612 . . . . 2.04 109.571 -171.414 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.53 -37.25 21.3 Favored Pre-proline 0 C--N 1.366 1.31 0 N-CA-C 120.253 3.427 . . . . 1.23 120.253 -173.077 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -67.68 -30.21 34.94 Favored 'Trans proline' 0 C--N 1.36 1.161 0 C-N-CA 124.282 3.322 . . . . 1.03 115.062 173.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -101.02 -21.45 15.02 Favored 'General case' 0 C--N 1.363 1.157 0 C-N-CA 126.535 1.934 . . . . 1.7 114.507 178.204 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 65.2 ttp85 -84.23 -35.09 23.69 Favored 'General case' 0 C--N 1.375 1.683 0 C-N-CA 126.08 1.752 . . . . 3.04 112.231 -178.449 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 54.7 mm-40 -79.78 -21.06 44.84 Favored 'General case' 0 C--N 1.366 1.283 0 C-N-CA 127.404 2.281 . . . . 1.74 112.279 177.355 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 20.4 t60 -83.34 -30.12 27.72 Favored 'General case' 0 C--N 1.365 1.277 0 C-N-CA 128.293 2.637 . . . . 2.01 111.51 178.639 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.4 -47.99 71.53 Favored 'General case' 0 C--N 1.371 1.501 0 C-N-CA 129.574 3.15 . . . . 1.19 111.57 171.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.87 -28.95 66.07 Favored 'General case' 0 C--N 1.354 0.78 0 C-N-CA 128.609 2.764 . . . . 1.07 116.513 179.255 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 75.7 m -83.26 -28.25 29.29 Favored 'General case' 0 C--N 1.361 1.095 0 C-N-CA 126.04 1.736 . . . . 1.03 112.871 174.096 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -73.41 -37.28 65.99 Favored 'General case' 0 C--N 1.362 1.146 0 C-N-CA 127.281 2.232 . . . . 2.35 113.024 175.421 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.656 HD11 HD22 ' A' ' 48' ' ' LEU . 2.8 pt -105.59 -13.4 9.36 Favored 'Isoleucine or valine' 0 C--N 1.366 1.319 0 C-N-CA 124.566 1.146 . . . . 1.07 112.317 -173.83 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 15.7 tpp180 87.58 41.76 0.01 OUTLIER 'General case' 0 C--N 1.37 1.495 0 C-N-CA 129.109 2.964 . . . . 3.61 115.132 164.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.656 HD22 HD11 ' A' ' 46' ' ' ILE . 0.2 OUTLIER -113.2 179.31 4.0 Favored 'General case' 0 C--N 1.361 1.108 0 C-N-CA 125.71 1.604 . . . . 1.12 110.115 -179.034 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 72.8 p -96.62 151.62 38.06 Favored Pre-proline 0 C--N 1.366 1.318 0 C-N-CA 127.244 2.218 . . . . 1.36 109.187 175.624 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.413 ' HA ' HG12 ' A' ' 53' ' ' VAL . 10.5 Cg_exo -57.27 -18.36 30.03 Favored 'Trans proline' 0 C--N 1.366 1.448 1 C-N-CA 126.515 4.81 . . . . 1.0 118.47 172.719 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 14.7 t -88.77 -41.0 12.8 Favored 'General case' 0 C--N 1.366 1.298 0 CA-C-N 120.13 1.332 . . . . 1.13 111.827 -174.547 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -67.01 -38.34 85.78 Favored 'General case' 0 C--N 1.364 1.22 0 C-N-CA 126.846 2.059 . . . . 1.04 113.351 172.024 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.413 HG12 ' HA ' ' A' ' 50' ' ' PRO . 10.3 p -65.63 -46.69 88.68 Favored 'Isoleucine or valine' 0 C--N 1.382 1.992 0 N-CA-C 113.821 1.045 . . . . 1.07 113.821 173.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.39 -43.09 99.64 Favored 'General case' 0 C--N 1.374 1.659 0 C-N-CA 126.013 1.725 . . . . 1.54 115.267 179.549 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.279 12.1 mt -85.12 -9.6 11.38 Favored 'Isoleucine or valine' 0 C--N 1.367 1.338 0 C-N-CA 125.271 1.428 . . . . 1.32 114.692 -179.417 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 38.7 t90 -75.24 -40.88 58.6 Favored 'General case' 0 C--N 1.381 1.948 0 CA-C-N 120.225 1.375 . . . . 0.28 110.936 165.26 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -79.4 -14.28 59.05 Favored 'General case' 0 C--N 1.368 1.383 0 C-N-CA 124.96 1.304 . . . . 0.46 114.149 178.107 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -75.38 -43.28 51.11 Favored 'General case' 0 C--N 1.362 1.122 0 C-N-CA 127.346 2.258 . . . . 1.34 112.489 169.064 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 56.6 m-20 -95.0 -25.71 16.38 Favored 'General case' 0 C--N 1.365 1.244 0 C-N-CA 125.561 1.545 . . . . 0.56 114.327 -168.531 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 2.7 t60 . . . . . 0 C--N 1.367 1.347 0 N-CA-C 114.466 1.284 . . . . 2.39 114.466 -170.418 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 30.7 m . . . . . 0 CA--C 1.519 -0.236 0 N-CA-C 107.649 -1.241 . . . . 1.31 107.649 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -85.34 10.68 11.97 Favored 'General case' 0 C--N 1.368 1.403 0 C-N-CA 126.464 1.906 . . . . 3.73 115.392 -169.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.24 -44.12 13.17 Favored 'General case' 0 C--N 1.362 1.129 0 C-N-CA 126.655 1.982 . . . . 1.13 112.343 159.221 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 50.0 mm-40 -77.0 -45.78 26.11 Favored 'General case' 0 C--N 1.369 1.425 0 C-N-CA 128.331 2.652 . . . . 0.86 111.996 -171.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 72.2 p -67.64 -34.67 77.43 Favored 'General case' 0 C--N 1.374 1.639 0 C-N-CA 128.289 2.636 . . . . 1.12 112.11 177.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -58.28 -57.4 13.04 Favored 'General case' 0 C--N 1.371 1.542 0 C-N-CA 128.719 2.808 . . . . 1.22 112.717 174.241 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -66.8 -37.47 84.61 Favored 'General case' 0 C--N 1.369 1.436 0 C-N-CA 125.969 1.707 . . . . 1.06 115.536 -175.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 98.6 mt -66.89 -37.15 83.84 Favored 'General case' 0 C--N 1.364 1.198 0 C-N-CA 126.98 2.112 . . . . 1.05 115.747 176.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -77.01 -27.08 54.49 Favored 'General case' 0 C--N 1.359 0.984 0 C-N-CA 126.74 2.016 . . . . 1.66 114.332 176.352 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 11.3 mtm180 -69.57 -45.6 68.31 Favored 'General case' 0 C--N 1.377 1.796 0 C-N-CA 124.521 1.128 . . . . 2.54 112.488 175.658 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.307 4.0 mmm180 -71.29 -28.07 63.87 Favored 'General case' 0 C--N 1.381 1.956 0 CA-C-N 115.685 -0.689 . . . . 1.89 112.592 -179.228 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -68.35 -36.02 78.61 Favored 'General case' 0 C--N 1.376 1.737 0 C-N-CA 128.016 2.527 . . . . 0.83 113.713 178.385 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.1 mmt85 -79.23 -14.83 58.8 Favored 'General case' 0 C--N 1.367 1.349 0 C-N-CA 124.846 1.258 . . . . 4.57 113.994 178.352 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 94.7 mm-40 -95.19 -31.99 13.26 Favored 'General case' 0 C--N 1.368 1.408 0 C-N-CA 126.004 1.721 . . . . 2.53 112.991 173.069 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -167.63 153.46 7.48 Favored 'General case' 0 C--N 1.366 1.311 0 N-CA-C 106.024 -1.843 . . . . 2.04 106.024 -166.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 77.0 mmt-85 -102.17 -34.05 9.42 Favored 'General case' 0 C--N 1.359 1.008 0 C-N-CA 124.788 1.235 . . . . 4.25 110.225 -175.667 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -121.06 139.03 53.88 Favored 'General case' 0 C--N 1.358 0.944 0 C-N-CA 125.897 1.679 . . . . 5.9 107.9 179.165 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -144.26 122.29 12.1 Favored 'General case' 0 CA--C 1.501 -0.919 0 C-N-CA 129.73 3.212 . . . . 1.23 102.356 -172.309 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 9.5 m -90.64 164.16 14.28 Favored 'General case' 0 C--N 1.366 1.313 0 C-N-CA 126.487 1.915 . . . . 2.04 109.864 -170.214 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -46.14 -35.13 3.83 Favored Pre-proline 0 C--N 1.367 1.352 0 N-CA-C 121.047 3.721 . . . . 1.23 121.047 -170.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_exo -66.98 -32.7 34.56 Favored 'Trans proline' 0 C--N 1.36 1.162 0 C-N-CA 124.265 3.31 . . . . 1.03 115.107 174.085 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -102.55 -19.3 14.91 Favored 'General case' 0 C--N 1.362 1.145 0 C-N-CA 126.239 1.815 . . . . 1.7 114.738 176.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 42.1 ttp180 -80.02 -41.97 24.74 Favored 'General case' 0 C--N 1.375 1.681 0 C-N-CA 126.243 1.817 . . . . 3.04 111.68 -179.436 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -81.47 -20.17 40.8 Favored 'General case' 0 C--N 1.369 1.443 0 C-N-CA 126.711 2.004 . . . . 1.74 112.287 -177.472 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 21.2 t60 -84.29 -26.13 28.8 Favored 'General case' 0 C--N 1.365 1.282 0 C-N-CA 128.222 2.609 . . . . 2.01 111.469 177.15 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -74.76 -31.74 61.87 Favored 'General case' 0 C--N 1.369 1.439 0 C-N-CA 128.151 2.58 . . . . 1.19 111.844 171.625 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -82.26 -25.78 33.77 Favored 'General case' 0 C--N 1.364 1.196 0 C-N-CA 127.776 2.43 . . . . 1.07 113.384 176.524 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.3 t -85.08 -28.74 25.42 Favored 'General case' 0 C--N 1.357 0.918 0 C-N-CA 125.849 1.66 . . . . 1.03 112.562 176.342 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -76.11 -41.6 49.71 Favored 'General case' 0 C--N 1.362 1.116 0 C-N-CA 127.799 2.44 . . . . 2.35 112.109 177.154 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.2 pt -98.62 -14.72 7.66 Favored 'Isoleucine or valine' 0 C--N 1.367 1.334 0 C-N-CA 124.287 1.035 . . . . 1.07 112.007 -175.394 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 13.2 tpp180 93.32 52.18 0.0 OUTLIER 'General case' 0 C--N 1.376 1.727 0 C-N-CA 129.099 2.96 . . . . 3.61 114.179 160.235 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 75.0 mt -127.51 -162.64 1.18 Allowed 'General case' 0 C--N 1.367 1.361 0 C-N-CA 124.675 1.19 . . . . 1.12 111.293 -176.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 69.7 p -104.71 148.74 36.55 Favored Pre-proline 0 C--N 1.369 1.44 0 C-N-CA 128.38 2.672 . . . . 1.36 109.013 176.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -61.85 -20.12 68.14 Favored 'Trans proline' 0 C--N 1.361 1.216 1 C-N-CA 126.252 4.634 . . . . 1.0 117.258 170.37 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.9 t -87.99 -29.87 20.43 Favored 'General case' 0 C--N 1.365 1.245 0 C-N-CA 126.372 1.869 . . . . 1.13 111.215 -177.328 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -82.69 -32.46 28.07 Favored 'General case' 0 C--N 1.37 1.49 0 CA-C-N 119.576 1.08 . . . . 1.04 112.483 178.385 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 8.4 p -68.24 -41.95 84.26 Favored 'Isoleucine or valine' 0 C--N 1.38 1.93 0 C-N-CA 124.788 1.235 . . . . 1.07 112.658 170.618 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.83 -46.25 78.17 Favored 'General case' 0 C--N 1.371 1.5 0 C-N-CA 126.998 2.119 . . . . 1.54 115.811 172.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.304 5.9 mt -86.89 -8.86 11.1 Favored 'Isoleucine or valine' 0 C--N 1.366 1.324 0 N-CA-C 115.403 1.631 . . . . 1.32 115.403 -179.665 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 36.8 t90 -73.72 -40.77 63.33 Favored 'General case' 0 C--N 1.379 1.848 0 CA-C-N 120.124 1.329 . . . . 0.28 111.346 165.411 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -83.15 -11.72 57.65 Favored 'General case' 0 C--N 1.365 1.271 0 C-N-CA 126.425 1.89 . . . . 0.46 113.753 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -81.43 -40.27 23.63 Favored 'General case' 0 C--N 1.358 0.936 0 C-N-CA 127.441 2.296 . . . . 1.34 112.026 171.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 48.6 m-20 -93.78 -27.29 16.56 Favored 'General case' 0 C--N 1.366 1.309 0 C-N-CA 125.743 1.617 . . . . 0.56 114.085 -171.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 2.3 t60 . . . . . 0 C--N 1.365 1.245 0 C-N-CA 125.096 1.358 . . . . 2.39 114.048 -176.258 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 20.8 m . . . . . 0 CA--C 1.519 -0.238 0 N-CA-C 108.591 -0.892 . . . . 1.31 108.591 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.22 -0.38 24.97 Favored 'General case' 0 C--N 1.369 1.421 0 C-N-CA 127.112 2.165 . . . . 3.73 116.113 -170.673 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.32 -47.64 9.83 Favored 'General case' 0 C--N 1.361 1.09 0 C-N-CA 126.388 1.875 . . . . 1.13 111.924 164.555 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 42.9 mm-40 -69.64 -45.52 68.26 Favored 'General case' 0 C--N 1.374 1.645 0 C-N-CA 128.365 2.666 . . . . 0.86 112.719 -173.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 77.3 p -73.97 -30.31 62.44 Favored 'General case' 0 C--N 1.367 1.346 0 C-N-CA 126.943 2.097 . . . . 1.12 112.32 -178.047 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 46.4 t80 -68.98 -47.56 65.3 Favored 'General case' 0 C--N 1.363 1.165 0 C-N-CA 127.498 2.319 . . . . 1.22 112.978 -179.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -73.66 -38.37 64.97 Favored 'General case' 0 C--N 1.359 0.986 0 N-CA-C 115.652 1.723 . . . . 1.06 115.652 -179.452 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 94.4 mt -69.55 -42.01 75.16 Favored 'General case' 0 C--N 1.362 1.115 0 C-N-CA 126.077 1.751 . . . . 1.05 114.884 178.61 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 80.4 mt-10 -70.8 -32.12 69.1 Favored 'General case' 0 C--N 1.364 1.206 0 C-N-CA 127.24 2.216 . . . . 1.66 114.903 174.724 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . 0.264 5.5 ptp180 -73.63 -41.64 62.5 Favored 'General case' 0 C--N 1.374 1.633 0 N-CA-C 115.234 1.568 . . . . 2.54 115.234 177.428 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.485 0.0 OUTLIER -86.07 1.9 48.61 Favored 'General case' 0 C--N 1.369 1.438 0 N-CA-C 115.732 1.753 . . . . 1.89 115.732 170.455 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -83.16 -36.66 24.56 Favored 'General case' 0 C--N 1.368 1.389 0 C-N-CA 124.741 1.216 . . . . 0.83 113.651 158.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 23.6 mmm-85 -86.87 -49.69 7.23 Favored 'General case' 0 C--N 1.369 1.429 0 C-N-CA 125.205 1.402 . . . . 4.57 114.384 -171.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . 0.27 0.0 OUTLIER -93.94 9.64 36.65 Favored 'General case' 0 C--N 1.369 1.421 0 C-N-CA 125.773 1.629 . . . . 2.53 113.15 -178.295 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -143.15 173.77 11.28 Favored 'General case' 0 C--N 1.361 1.107 0 N-CA-C 103.835 -2.654 . . . . 2.04 103.835 174.026 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.409 ' O ' HD12 ' A' ' 34' ' ' LEU . 10.8 mtp-105 -102.42 -76.85 0.57 Allowed 'General case' 0 C--N 1.362 1.148 0 N-CA-C 102.06 -3.311 . . . . 4.25 102.06 129.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . 2.299 4.3 m-85 55.19 67.76 0.97 Allowed 'General case' 0 C--N 1.368 1.395 0 C-N-CA 131.256 3.822 . . . . 5.9 117.759 127.546 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.409 HD12 ' O ' ' A' ' 32' ' ' ARG 0.253 0.0 OUTLIER -162.54 119.59 2.0 Favored 'General case' 0 C--N 1.352 0.705 0 N-CA-C 106.822 -1.547 . . . . 1.23 106.822 173.483 . . . . . . . . 4 4 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 13.6 m -106.98 166.78 10.35 Favored 'General case' 0 C--N 1.375 1.68 0 C-N-CA 125.878 1.671 . . . . 2.04 106.952 -177.582 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -43.49 -37.16 2.58 Favored Pre-proline 0 C--N 1.368 1.404 0 N-CA-C 120.928 3.677 . . . . 1.23 120.928 -172.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -67.53 -33.84 27.66 Favored 'Trans proline' 0 C--N 1.363 1.299 0 C-N-CA 124.435 3.423 . . . . 1.03 115.394 175.087 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -101.3 -9.19 21.43 Favored 'General case' 0 C--N 1.364 1.21 0 C-N-CA 125.679 1.592 . . . . 1.7 114.478 176.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 35.7 ttt85 -88.89 -43.42 11.2 Favored 'General case' 0 C--N 1.366 1.318 0 C-N-CA 127.385 2.274 . . . . 3.04 111.857 -176.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -83.24 -19.69 35.94 Favored 'General case' 0 C--N 1.369 1.447 0 C-N-CA 126.524 1.93 . . . . 1.74 111.923 177.614 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 40.3 t-80 -84.76 -25.12 28.47 Favored 'General case' 0 C--N 1.367 1.334 0 C-N-CA 127.151 2.18 . . . . 2.01 111.49 176.303 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -69.53 -33.91 73.49 Favored 'General case' 0 C--N 1.371 1.512 0 C-N-CA 128.047 2.539 . . . . 1.19 112.188 166.635 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -74.19 -27.5 60.83 Favored 'General case' 0 C--N 1.362 1.15 0 C-N-CA 126.764 2.026 . . . . 1.07 114.015 172.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 50.1 m -83.34 -28.28 29.12 Favored 'General case' 0 C--N 1.358 0.953 0 C-N-CA 125.305 1.442 . . . . 1.03 113.988 173.495 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -77.39 -38.9 48.9 Favored 'General case' 0 C--N 1.362 1.148 0 C-N-CA 127.912 2.485 . . . . 2.35 112.147 179.554 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.6 pt -100.08 -18.29 6.39 Favored 'Isoleucine or valine' 0 C--N 1.366 1.288 0 C-N-CA 124.654 1.182 . . . . 1.07 111.264 -175.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 17.6 tpt180 84.23 67.37 0.01 OUTLIER 'General case' 0 C--N 1.372 1.544 0 C-N-CA 129.131 2.972 . . . . 3.61 113.626 169.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 93.3 mt -137.27 -160.47 1.06 Allowed 'General case' 0 C--N 1.354 0.788 0 N-CA-C 106.704 -1.591 . . . . 1.12 106.704 173.004 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 77.1 p -107.67 145.84 32.14 Favored Pre-proline 0 C--N 1.364 1.221 0 C-N-CA 127.085 2.154 . . . . 1.36 107.414 175.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_exo -61.35 -18.01 56.58 Favored 'Trans proline' 0 C--N 1.366 1.456 1 C-N-CA 125.984 4.456 . . . . 1.0 116.484 171.542 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.8 t -85.52 -29.88 23.87 Favored 'General case' 0 C--N 1.366 1.307 0 C-N-CA 127.723 2.409 . . . . 1.13 111.253 -178.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . 0.25 9.1 pt20 -84.56 -31.45 24.35 Favored 'General case' 0 C--N 1.373 1.629 0 CA-C-N 119.505 1.048 . . . . 1.04 112.72 178.408 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 5.8 p -68.55 -33.68 61.26 Favored 'Isoleucine or valine' 0 C--N 1.379 1.872 0 C-N-CA 124.582 1.153 . . . . 1.07 112.869 167.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.01 -55.18 25.53 Favored 'General case' 0 C--N 1.371 1.508 0 C-N-CA 128.083 2.553 . . . . 1.54 116.241 166.741 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.267 4.9 mt -82.6 -6.5 10.06 Favored 'Isoleucine or valine' 0 C--N 1.368 1.382 0 N-CA-C 114.551 1.315 . . . . 1.32 114.551 179.429 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 25.5 t90 -76.38 -43.13 42.05 Favored 'General case' 0 C--N 1.376 1.753 0 C-N-CA 125.726 1.61 . . . . 0.28 111.186 169.399 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -80.23 -14.12 58.68 Favored 'General case' 0 C--N 1.37 1.474 0 C-N-CA 126.591 1.956 . . . . 0.46 112.691 178.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -78.92 -37.59 39.45 Favored 'General case' 0 C--N 1.36 1.061 0 C-N-CA 127.56 2.344 . . . . 1.34 112.197 172.229 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 60.8 m-20 -90.65 -37.3 13.85 Favored 'General case' 0 C--N 1.366 1.286 0 C-N-CA 126.126 1.77 . . . . 0.56 113.818 -174.094 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 7.4 t60 . . . . . 0 C--N 1.365 1.241 0 C-N-CA 125.965 1.706 . . . . 2.39 115.258 -171.065 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 24.7 m . . . . . 0 CA--C 1.518 -0.281 0 N-CA-C 107.662 -1.236 . . . . 1.31 107.662 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.78 -9.04 58.26 Favored 'General case' 0 C--N 1.368 1.386 0 C-N-CA 127.157 2.183 . . . . 3.73 116.285 -170.105 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -82.64 -35.95 26.46 Favored 'General case' 0 C--N 1.365 1.25 0 C-N-CA 126.462 1.905 . . . . 1.13 112.552 172.161 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 45.8 mm-40 -73.85 -45.88 48.38 Favored 'General case' 0 C--N 1.369 1.418 0 C-N-CA 128.832 2.853 . . . . 0.86 111.757 -175.84 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 59.7 p -73.33 -29.95 63.01 Favored 'General case' 0 C--N 1.366 1.283 0 C-N-CA 126.509 1.924 . . . . 1.12 112.469 179.592 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 63.7 t80 -63.49 -52.42 61.39 Favored 'General case' 0 C--N 1.367 1.347 0 C-N-CA 128.188 2.595 . . . . 1.22 113.332 176.64 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -73.01 -38.47 66.57 Favored 'General case' 0 C--N 1.362 1.145 0 N-CA-C 115.612 1.708 . . . . 1.06 115.612 -177.676 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 88.1 mt -69.05 -42.94 75.63 Favored 'General case' 0 C--N 1.365 1.256 0 C-N-CA 126.492 1.917 . . . . 1.05 114.398 -179.585 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -70.6 -33.93 71.6 Favored 'General case' 0 C--N 1.362 1.11 0 C-N-CA 126.586 1.954 . . . . 1.66 115.247 173.017 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . 0.256 2.7 ptp180 -75.07 -34.22 61.76 Favored 'General case' 0 C--N 1.372 1.559 0 N-CA-C 116.56 2.059 . . . . 2.54 116.56 -177.835 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.329 22.9 mmm-85 -75.64 -29.51 59.16 Favored 'General case' 0 C--N 1.371 1.515 0 CA-C-O 118.594 -0.717 . . . . 1.89 112.785 166.23 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -70.01 -21.21 63.23 Favored 'General case' 0 C--N 1.376 1.746 0 C-N-CA 126.558 1.943 . . . . 0.83 113.869 -175.192 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.2 mmm180 -70.34 -34.64 72.89 Favored 'General case' 0 C--N 1.366 1.324 0 C-N-CA 126.363 1.865 . . . . 4.57 115.542 169.8 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -99.6 -31.04 11.79 Favored 'General case' 0 C--N 1.36 1.029 0 C-N-CA 126.058 1.743 . . . . 2.53 113.995 -174.569 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -153.5 147.82 25.9 Favored 'General case' 0 C--N 1.364 1.215 0 CA-C-N 119.9 1.227 . . . . 2.04 107.87 -170.042 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 12.5 mtm105 -105.37 -38.38 6.51 Favored 'General case' 0 C--N 1.365 1.261 0 C-N-CA 125.761 1.624 . . . . 4.25 111.56 -176.088 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -104.77 134.08 48.51 Favored 'General case' 0 C--N 1.363 1.187 0 C-N-CA 124.774 1.23 . . . . 5.9 111.81 -173.218 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . 2.041 0.7 OUTLIER -100.45 93.43 5.63 Favored 'General case' 0 C--N 1.361 1.088 0 C-N-CA 129.687 3.195 . . . . 1.23 111.072 -169.633 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.7 p -71.75 145.77 48.55 Favored 'General case' 0 C--N 1.379 1.851 0 CA-C-N 122.786 2.539 . . . . 2.04 111.616 172.175 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.12 -39.96 80.88 Favored Pre-proline 0 C--N 1.365 1.259 0 N-CA-C 119.962 3.319 . . . . 1.23 119.962 -161.972 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -68.23 -21.54 41.67 Favored 'Trans proline' 0 C--N 1.363 1.33 0 C-N-CA 124.554 3.503 . . . . 1.03 115.337 174.741 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -104.23 -15.78 15.39 Favored 'General case' 0 C--N 1.363 1.177 0 C-N-CA 125.955 1.702 . . . . 1.7 114.508 176.251 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.8 ttm105 -80.75 -46.13 15.96 Favored 'General case' 0 C--N 1.375 1.69 0 C-N-CA 126.867 2.067 . . . . 3.04 111.343 179.072 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -75.52 -28.01 58.94 Favored 'General case' 0 C--N 1.37 1.492 0 C-N-CA 128.667 2.787 . . . . 1.74 112.13 -178.213 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 46.2 t-80 -84.75 -26.26 27.73 Favored 'General case' 0 C--N 1.364 1.207 0 C-N-CA 127.849 2.46 . . . . 2.01 111.755 -177.146 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -71.61 -34.91 70.26 Favored 'General case' 0 C--N 1.367 1.365 0 C-N-CA 127.982 2.513 . . . . 1.19 112.292 170.679 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.59 -30.72 59.7 Favored 'General case' 0 C--N 1.365 1.262 0 C-N-CA 127.956 2.503 . . . . 1.07 114.275 174.789 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 70.8 m -85.09 -26.95 26.62 Favored 'General case' 0 C--N 1.362 1.122 0 C-N-CA 125.952 1.701 . . . . 1.03 113.112 177.893 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 52.1 tp -74.04 -40.99 62.46 Favored 'General case' 0 C--N 1.363 1.157 0 C-N-CA 127.707 2.403 . . . . 2.35 112.212 176.298 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.5 pt -101.19 -14.84 7.85 Favored 'Isoleucine or valine' 0 C--N 1.366 1.311 0 C-N-CA 123.759 0.823 . . . . 1.07 112.828 -174.176 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 16.5 tpp180 86.75 51.42 0.01 OUTLIER 'General case' 0 C--N 1.369 1.441 0 C-N-CA 128.399 2.68 . . . . 3.61 113.462 166.732 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 75.6 mt -129.1 -170.63 2.31 Favored 'General case' 0 C--N 1.362 1.138 0 C-N-CA 124.806 1.243 . . . . 1.12 107.788 176.661 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 81.5 p -94.04 146.7 32.12 Favored Pre-proline 0 C--N 1.37 1.488 0 C-N-CA 126.614 1.966 . . . . 1.36 108.988 178.631 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_exo -60.58 -21.03 67.34 Favored 'Trans proline' 0 C--N 1.363 1.296 1 C-N-CA 125.983 4.455 . . . . 1.0 116.963 172.315 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.9 t -87.53 -29.48 21.3 Favored 'General case' 0 C--N 1.366 1.3 0 C-N-CA 125.801 1.64 . . . . 1.13 111.356 -177.193 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -82.6 -30.64 29.36 Favored 'General case' 0 C--N 1.372 1.571 0 CA-C-N 119.465 1.029 . . . . 1.04 112.593 178.098 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 8.0 p -70.16 -42.75 79.19 Favored 'Isoleucine or valine' 0 C--N 1.377 1.791 0 C-N-CA 125.319 1.448 . . . . 1.07 112.692 172.798 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.46 -47.29 84.48 Favored 'General case' 0 C--N 1.374 1.639 0 C-N-CA 128.608 2.763 . . . . 1.54 113.255 175.761 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.295 6.5 mt -88.47 -5.63 10.54 Favored 'Isoleucine or valine' 0 C--N 1.365 1.282 0 N-CA-C 115.308 1.596 . . . . 1.32 115.308 -179.924 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 53.6 t90 -72.24 -39.15 68.69 Favored 'General case' 0 C--N 1.38 1.914 0 C-N-CA 125.898 1.679 . . . . 0.28 110.308 165.283 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -79.5 -34.36 41.34 Favored 'General case' 0 C--N 1.367 1.34 0 C-N-CA 125.624 1.569 . . . . 0.46 113.645 178.026 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -65.59 -39.66 91.83 Favored 'General case' 0 C--N 1.356 0.87 0 C-N-CA 128.212 2.605 . . . . 1.34 113.524 177.729 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -86.05 -10.3 55.22 Favored 'General case' 0 C--N 1.364 1.219 0 C-N-CA 127.115 2.166 . . . . 0.56 112.942 169.589 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . 2.093 0.1 OUTLIER . . . . . 0 C--N 1.361 1.097 0 C-N-CA 130.042 3.337 . . . . 2.39 114.611 174.441 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.8 m . . . . . 0 CA--C 1.52 -0.179 0 N-CA-C 107.29 -1.374 . . . . 1.31 107.29 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.12 11.92 8.82 Favored 'General case' 0 C--N 1.368 1.405 0 C-N-CA 126.645 1.978 . . . . 3.73 115.027 -173.457 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.22 -40.76 16.29 Favored 'General case' 0 C--N 1.362 1.113 0 C-N-CA 126.495 1.918 . . . . 1.13 112.577 160.904 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 42.5 mm-40 -77.57 -54.16 6.73 Favored 'General case' 0 C--N 1.369 1.427 0 C-N-CA 129.046 2.938 . . . . 0.86 111.675 -167.852 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 74.1 p -64.96 -40.51 95.12 Favored 'General case' 0 C--N 1.37 1.466 0 C-N-CA 128.539 2.736 . . . . 1.12 111.821 178.941 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 43.7 t80 -54.96 -56.46 19.38 Favored 'General case' 0 C--N 1.367 1.34 0 C-N-CA 128.587 2.755 . . . . 1.22 113.785 175.167 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -65.39 -40.14 93.11 Favored 'General case' 0 C--N 1.368 1.404 0 C-N-CA 126.592 1.957 . . . . 1.06 115.495 -176.475 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 97.5 mt -66.06 -38.94 89.59 Favored 'General case' 0 C--N 1.365 1.252 0 N-CA-C 115.717 1.747 . . . . 1.05 115.717 178.913 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -76.55 -28.05 56.13 Favored 'General case' 0 C--N 1.36 1.044 0 C-N-CA 127.431 2.293 . . . . 1.66 114.825 176.426 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . 0.264 12.7 mtm180 -67.78 -52.52 36.27 Favored 'General case' 0 C--N 1.376 1.741 0 C-N-CA 124.033 0.933 . . . . 2.54 112.31 176.723 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.554 HH22 HD23 ' A' ' 42' ' ' LEU 0.584 0.2 OUTLIER -85.52 -5.67 59.26 Favored 'General case' 0 C--N 1.38 1.927 0 N-CA-C 113.458 0.911 . . . . 1.89 113.458 -173.484 . . . . . . . . 4 4 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -74.09 -30.99 62.62 Favored 'General case' 0 C--N 1.376 1.725 0 C-N-CA 127.109 2.164 . . . . 0.83 113.725 161.972 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.4 mmt-85 -74.44 -30.52 61.93 Favored 'General case' 0 C--N 1.369 1.448 0 C-N-CA 125.939 1.696 . . . . 4.57 114.361 169.139 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 66.6 tp60 -93.7 -24.47 17.84 Favored 'General case' 0 C--N 1.364 1.23 0 C-N-CA 127.1 2.16 . . . . 2.53 112.903 -175.276 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 41.8 mm-40 -138.77 171.11 14.82 Favored 'General case' 0 C--N 1.366 1.311 0 N-CA-C 107.22 -1.4 . . . . 2.04 107.22 -174.221 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 79.0 mtt-85 -107.18 -41.67 5.07 Favored 'General case' 0 C--N 1.36 1.044 0 C-N-CA 125.929 1.692 . . . . 4.25 110.547 162.197 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 49.9 p90 -136.03 150.69 49.29 Favored 'General case' 0 C--N 1.359 1.015 0 C-N-CA 127.478 2.311 . . . . 5.9 106.531 -163.37 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -157.58 121.19 4.1 Favored 'General case' 0 C--N 1.356 0.85 0 N-CA-C 106.135 -1.802 . . . . 1.23 106.135 -168.508 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.4 p -94.32 163.31 13.48 Favored 'General case' 0 C--N 1.367 1.361 0 C-N-CA 127.577 2.351 . . . . 2.04 110.2 -173.839 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -43.45 -38.41 3.72 Favored Pre-proline 0 C--N 1.367 1.34 0 N-CA-C 121.34 3.83 . . . . 1.23 121.34 -168.532 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -69.55 -34.36 15.46 Favored 'Trans proline' 0 C--N 1.36 1.158 0 CA-C-N 125.691 3.068 . . . . 1.03 114.92 -179.825 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -93.56 -33.56 13.69 Favored 'General case' 0 C--N 1.366 1.32 0 C-N-CA 125.921 1.689 . . . . 1.7 113.542 176.402 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 41.4 ttt180 -63.26 -43.32 98.29 Favored 'General case' 0 C--N 1.369 1.43 0 C-N-CA 128.814 2.846 . . . . 3.04 114.93 -179.835 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 -84.6 -19.66 32.67 Favored 'General case' 0 C--N 1.359 1.003 0 C-N-CA 128.136 2.574 . . . . 1.74 112.165 -177.945 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 56.7 t-80 -77.83 -24.95 48.51 Favored 'General case' 0 C--N 1.367 1.361 0 C-N-CA 128.364 2.665 . . . . 2.01 112.411 174.39 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.554 HD23 HH22 ' A' ' 27' ' ' ARG . 0.6 OUTLIER -68.36 -55.79 10.78 Favored 'General case' 0 C--N 1.369 1.421 0 C-N-CA 129.672 3.189 . . . . 1.19 110.891 172.441 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.53 -28.59 70.05 Favored 'General case' 0 C--N 1.356 0.852 0 C-N-CA 129.565 3.146 . . . . 1.07 116.323 178.183 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 66.1 m -85.18 -38.03 19.47 Favored 'General case' 0 C--N 1.362 1.123 0 C-N-CA 125.511 1.524 . . . . 1.03 114.024 177.769 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 83.9 mt -84.8 -21.85 29.77 Favored 'General case' 0 C--N 1.361 1.091 0 C-N-CA 125.241 1.417 . . . . 2.35 113.737 179.284 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -97.93 -20.23 5.68 Favored 'Isoleucine or valine' 0 C--N 1.367 1.339 0 C-N-CA 124.672 1.189 . . . . 1.07 110.623 176.689 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 82.27 61.66 0.02 OUTLIER 'General case' 0 C--N 1.371 1.543 0 C-N-CA 129.275 3.03 . . . . 3.61 112.689 165.909 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 93.2 mt -135.93 -170.45 2.64 Favored 'General case' 0 C--N 1.359 0.979 0 C-N-CA 124.895 1.278 . . . . 1.12 108.56 176.926 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 63.3 p -96.42 148.54 34.63 Favored Pre-proline 0 C--N 1.37 1.491 0 C-N-CA 127.039 2.136 . . . . 1.36 109.556 -178.095 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_exo -61.89 -21.96 73.34 Favored 'Trans proline' 0 C--N 1.367 1.511 1 C-N-CA 126.13 4.553 . . . . 1.0 116.09 171.983 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.3 t -86.37 -29.1 23.2 Favored 'General case' 0 C--N 1.365 1.282 0 C-N-CA 126.247 1.819 . . . . 1.13 111.176 -177.19 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -81.95 -31.35 31.29 Favored 'General case' 0 C--N 1.373 1.591 0 CA-C-N 119.393 0.997 . . . . 1.04 112.818 177.622 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 9.0 p -68.5 -43.04 84.05 Favored 'Isoleucine or valine' 0 C--N 1.376 1.747 0 C-N-CA 125.037 1.335 . . . . 1.07 112.968 172.26 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.42 -37.07 82.48 Favored 'General case' 0 C--N 1.378 1.825 0 C-N-CA 125.046 1.338 . . . . 1.54 114.046 177.52 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.301 6.9 mt -88.21 -5.96 10.59 Favored 'Isoleucine or valine' 0 C--N 1.372 1.581 0 N-CA-C 114.822 1.415 . . . . 1.32 114.822 176.588 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 49.7 t90 -75.37 -41.47 56.37 Favored 'General case' 0 C--N 1.379 1.877 0 C-N-CA 125.469 1.507 . . . . 0.28 110.781 166.065 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -78.0 -17.5 57.05 Favored 'General case' 0 C--N 1.368 1.401 0 C-N-CA 125.053 1.341 . . . . 0.46 113.751 177.686 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 20.7 tt0 -76.76 -38.45 54.09 Favored 'General case' 0 C--N 1.363 1.158 0 C-N-CA 127.428 2.291 . . . . 1.34 112.398 172.986 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 62.3 m-20 -91.98 -30.3 16.15 Favored 'General case' 0 C--N 1.365 1.261 0 C-N-CA 125.77 1.628 . . . . 0.56 113.856 -173.226 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 1.8 t60 . . . . . 0 C--N 1.364 1.205 0 C-N-CA 125.288 1.435 . . . . 2.39 114.338 -172.606 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 24.3 m . . . . . 0 CA--C 1.521 -0.151 0 N-CA-C 107.998 -1.112 . . . . 1.31 107.998 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.76 -4.25 48.4 Favored 'General case' 0 C--N 1.369 1.414 0 C-N-CA 127.245 2.218 . . . . 3.73 115.705 -172.591 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -79.31 -40.71 29.73 Favored 'General case' 0 C--N 1.366 1.283 0 C-N-CA 126.929 2.092 . . . . 1.13 112.14 168.769 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 -73.99 -49.13 25.82 Favored 'General case' 0 C--N 1.365 1.258 0 C-N-CA 129.388 3.075 . . . . 0.86 113.075 -172.472 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 66.9 p -73.28 -29.13 62.52 Favored 'General case' 0 C--N 1.364 1.221 0 C-N-CA 126.182 1.793 . . . . 1.12 112.52 -178.061 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -65.69 -53.05 46.34 Favored 'General case' 0 C--N 1.369 1.454 0 C-N-CA 128.47 2.708 . . . . 1.22 112.945 176.423 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -72.47 -36.18 68.4 Favored 'General case' 0 C--N 1.361 1.098 0 C-N-CA 125.973 1.709 . . . . 1.06 115.287 -176.632 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 90.3 mt -71.17 -41.3 70.55 Favored 'General case' 0 C--N 1.361 1.073 0 C-N-CA 126.873 2.069 . . . . 1.05 114.61 178.85 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -71.74 -31.35 66.59 Favored 'General case' 0 C--N 1.362 1.126 0 C-N-CA 125.893 1.677 . . . . 1.66 115.455 172.418 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.1 ptm180 -78.52 -29.38 46.5 Favored 'General case' 0 C--N 1.371 1.539 0 N-CA-C 115.267 1.58 . . . . 2.54 115.267 -176.938 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.258 36.1 mmm-85 -78.74 -26.28 44.62 Favored 'General case' 0 C--N 1.369 1.455 0 CA-C-O 118.384 -0.817 . . . . 1.89 112.724 164.057 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -71.23 -19.84 62.32 Favored 'General case' 0 C--N 1.376 1.747 0 CA-C-N 120.641 1.564 . . . . 0.83 114.164 178.365 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 19.8 mmm-85 -74.16 -44.61 52.9 Favored 'General case' 0 C--N 1.366 1.297 0 C-N-CA 126.685 1.994 . . . . 4.57 113.923 173.951 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 63.9 tp60 -93.25 -22.42 19.02 Favored 'General case' 0 N--CA 1.435 -1.188 0 C-N-CA 128.063 2.545 . . . . 2.53 112.748 -173.054 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -156.16 170.49 22.1 Favored 'General case' 0 C--N 1.365 1.276 0 O-C-N 121.174 -0.954 . . . . 2.04 109.573 178.516 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.546 ' HG3' HH11 ' A' ' 32' ' ' ARG . 8.2 mtm-85 -105.84 -34.27 7.71 Favored 'General case' 0 C--N 1.363 1.185 0 C-N-CA 127.287 2.235 . . . . 4.25 109.06 175.251 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -134.03 142.84 47.75 Favored 'General case' 0 C--N 1.357 0.893 0 C-N-CA 127.099 2.16 . . . . 5.9 105.808 -173.862 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.584 HD22 ' HB2' ' A' ' 39' ' ' ARG 0.295 0.0 OUTLIER -106.28 -106.1 0.32 Allowed 'General case' 0 CA--C 1.555 1.151 0 N-CA-C 102.925 -2.991 . . . . 1.23 102.925 -163.234 . . . . . . . . 4 4 . 1 . 023 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . 2.407 13.1 m -156.09 -159.55 0.91 Allowed 'General case' 0 C--N 1.376 1.718 0 N-CA-C 101.677 -3.453 . . . . 2.04 101.677 140.895 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . 0.27 . . -76.18 -53.85 2.12 Favored Pre-proline 0 C--N 1.365 1.265 0 CA-C-O 116.276 -1.821 . . . . 1.23 115.631 -177.667 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -72.76 -10.26 24.77 Favored 'Trans proline' 0 C--N 1.364 1.393 0 C-N-CA 123.83 3.02 . . . . 1.03 115.312 -178.943 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -99.29 -22.47 15.58 Favored 'General case' 0 C--N 1.361 1.065 0 C-N-CA 127.259 2.224 . . . . 1.7 113.539 179.5 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.584 ' HB2' HD22 ' A' ' 34' ' ' LEU . 3.2 tmm_? -83.75 -30.12 26.92 Favored 'General case' 0 C--N 1.378 1.822 0 CA-C-N 120.827 1.649 . . . . 3.04 111.157 171.5 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -81.88 -23.02 36.56 Favored 'General case' 0 C--N 1.375 1.696 0 C-N-CA 124.397 1.079 . . . . 1.74 112.447 178.281 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 46.0 t-80 -85.06 -26.54 26.92 Favored 'General case' 0 C--N 1.364 1.214 0 C-N-CA 127.7 2.4 . . . . 2.01 111.818 178.017 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -75.59 -26.76 58.15 Favored 'General case' 0 C--N 1.366 1.318 0 C-N-CA 128.568 2.747 . . . . 1.19 111.712 170.894 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -80.75 -31.27 35.97 Favored 'General case' 0 C--N 1.366 1.291 0 C-N-CA 126.995 2.118 . . . . 1.07 112.822 175.758 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 55.5 m -80.69 -25.65 38.05 Favored 'General case' 0 C--N 1.361 1.105 0 C-N-CA 125.733 1.613 . . . . 1.03 113.6 173.836 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 5.9 tt -75.06 -39.33 60.95 Favored 'General case' 0 C--N 1.362 1.142 0 C-N-CA 128.008 2.523 . . . . 2.35 112.434 175.357 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.8 pt -101.71 -14.76 7.97 Favored 'Isoleucine or valine' 0 C--N 1.367 1.369 0 C-N-CA 124.244 1.018 . . . . 1.07 112.83 -172.809 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 9.3 tpt180 89.5 33.96 0.02 OUTLIER 'General case' 0 C--N 1.37 1.482 0 C-N-CA 129.463 3.105 . . . . 3.61 112.318 165.408 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -118.28 178.36 4.47 Favored 'General case' 0 C--N 1.357 0.906 0 C-N-CA 127.492 2.317 . . . . 1.12 107.678 -174.162 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.413 HG22 ' H ' ' A' ' 51' ' ' THR . 81.1 p -93.11 143.15 26.31 Favored Pre-proline 0 C--N 1.364 1.212 0 C-N-CA 126.35 1.86 . . . . 1.36 109.526 179.886 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_exo -60.98 -18.02 55.08 Favored 'Trans proline' 0 C--N 1.368 1.595 1 C-N-CA 126.26 4.64 . . . . 1.0 116.57 172.457 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.413 ' H ' HG22 ' A' ' 49' ' ' THR . 14.0 t -86.05 -31.48 21.94 Favored 'General case' 0 C--N 1.366 1.288 0 C-N-CA 127.234 2.214 . . . . 1.13 111.11 -178.758 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -80.8 -34.76 33.82 Favored 'General case' 0 C--N 1.371 1.535 0 O-C-N 121.014 -1.054 . . . . 1.04 112.163 178.646 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 6.4 p -70.71 -36.32 64.53 Favored 'Isoleucine or valine' 0 C--N 1.378 1.82 0 C-N-CA 125.497 1.519 . . . . 1.07 112.707 173.766 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.04 -49.31 76.2 Favored 'General case' 0 C--N 1.369 1.451 0 C-N-CA 128.274 2.63 . . . . 1.54 113.675 170.316 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.286 5.2 mt -83.4 -7.61 10.92 Favored 'Isoleucine or valine' 0 C--N 1.368 1.403 0 N-CA-C 115.407 1.632 . . . . 1.32 115.407 178.847 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 23.1 t90 -75.11 -42.11 57.19 Favored 'General case' 0 C--N 1.377 1.779 0 C-N-CA 125.802 1.641 . . . . 0.28 110.976 168.728 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -85.0 -12.49 53.11 Favored 'General case' 0 C--N 1.368 1.373 0 C-N-CA 126.699 2.0 . . . . 0.46 113.261 179.704 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 20.7 tt0 -78.16 -40.23 38.55 Favored 'General case' 0 C--N 1.36 1.045 0 C-N-CA 127.311 2.244 . . . . 1.34 112.219 173.406 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 70.8 m-20 -87.65 -25.21 23.64 Favored 'General case' 0 C--N 1.368 1.382 0 C-N-CA 125.78 1.632 . . . . 0.56 113.675 -175.263 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 6.4 m80 . . . . . 0 C--N 1.363 1.191 0 N-CA-C 115.909 1.818 . . . . 2.39 115.909 -178.419 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 30.1 m . . . . . 0 CA--C 1.52 -0.179 0 N-CA-C 107.098 -1.445 . . . . 1.31 107.098 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.7 pptp? -73.69 -13.41 60.98 Favored 'General case' 0 C--N 1.368 1.395 0 C-N-CA 127.367 2.267 . . . . 3.73 116.669 -169.157 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -78.88 -34.63 44.69 Favored 'General case' 0 C--N 1.366 1.326 0 C-N-CA 126.726 2.01 . . . . 1.13 112.688 173.609 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 42.4 mm-40 -78.16 -41.83 33.55 Favored 'General case' 0 C--N 1.367 1.345 0 C-N-CA 128.136 2.574 . . . . 0.86 111.038 -173.502 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 71.8 p -74.52 -30.79 61.91 Favored 'General case' 0 C--N 1.365 1.281 0 C-N-CA 126.777 2.031 . . . . 1.12 112.147 178.812 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 49.9 t80 -64.28 -50.75 66.67 Favored 'General case' 0 C--N 1.368 1.411 0 C-N-CA 127.643 2.377 . . . . 1.22 112.855 176.252 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -75.14 -35.65 61.64 Favored 'General case' 0 C--N 1.359 1.01 0 N-CA-C 115.502 1.668 . . . . 1.06 115.502 -176.559 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 89.3 mt -69.83 -43.48 71.92 Favored 'General case' 0 C--N 1.364 1.233 0 C-N-CA 126.329 1.852 . . . . 1.05 114.422 177.906 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 77.0 mt-10 -70.09 -31.8 69.56 Favored 'General case' 0 C--N 1.362 1.145 0 C-N-CA 126.711 2.004 . . . . 1.66 115.279 173.802 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.6 ptm180 -77.53 -29.32 52.3 Favored 'General case' 0 C--N 1.369 1.441 0 N-CA-C 115.773 1.768 . . . . 2.54 115.773 -179.713 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.258 27.6 mmm-85 -77.56 -25.61 50.23 Favored 'General case' 0 C--N 1.369 1.445 0 C-N-CA 123.803 0.841 . . . . 1.89 112.323 165.523 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.402 ' O ' ' HG2' ' A' ' 29' ' ' ARG . 46.6 t80 -68.8 -46.37 68.86 Favored 'General case' 0 C--N 1.375 1.706 0 C-N-CA 126.757 2.023 . . . . 0.83 113.737 -177.52 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.402 ' HG2' ' O ' ' A' ' 28' ' ' PHE 2.348 11.3 mmm-85 -58.71 -25.71 63.16 Favored 'General case' 0 N--CA 1.496 1.866 0 C-N-CA 128.491 2.717 . . . . 4.57 114.3 176.184 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 65.7 tp60 -97.95 -30.41 12.74 Favored 'General case' 0 C--N 1.37 1.472 0 C-N-CA 127.667 2.387 . . . . 2.53 112.748 -177.217 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -170.96 150.52 3.13 Favored 'General case' 0 C--N 1.37 1.473 0 N-CA-C 107.086 -1.45 . . . . 2.04 107.086 -167.534 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.9 mtm105 -100.89 -34.14 9.92 Favored 'General case' 0 C--N 1.362 1.133 0 C-N-CA 125.173 1.389 . . . . 4.25 110.438 -177.937 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 58.4 m-85 -117.28 137.01 52.69 Favored 'General case' 0 C--N 1.357 0.919 0 C-N-CA 125.878 1.671 . . . . 5.9 108.678 -179.826 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -144.26 121.72 11.7 Favored 'General case' 0 CA--C 1.495 -1.138 0 N-CA-C 101.027 -3.694 . . . . 1.23 101.027 -173.023 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.6 p -83.9 164.91 19.14 Favored 'General case' 0 C--N 1.364 1.221 0 C-N-CA 126.94 2.096 . . . . 2.04 111.081 -168.185 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -41.3 -45.23 6.9 Favored Pre-proline 0 C--N 1.366 1.307 0 N-CA-C 120.733 3.605 . . . . 1.23 120.733 -174.048 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -71.78 -29.88 15.03 Favored 'Trans proline' 0 C--N 1.36 1.149 0 C-N-CA 124.292 3.328 . . . . 1.03 114.229 177.723 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -94.51 -18.63 21.27 Favored 'General case' 0 C--N 1.364 1.211 0 C-N-CA 126.009 1.724 . . . . 1.7 113.963 176.596 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 -81.44 -40.37 23.45 Favored 'General case' 0 C--N 1.373 1.611 0 C-N-CA 127.106 2.163 . . . . 3.04 111.241 -178.107 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -84.71 -17.69 37.59 Favored 'General case' 0 C--N 1.368 1.399 0 C-N-CA 125.627 1.571 . . . . 1.74 112.135 -179.584 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 46.6 t-80 -82.0 -24.25 35.53 Favored 'General case' 0 C--N 1.366 1.293 0 C-N-CA 128.066 2.546 . . . . 2.01 111.914 174.824 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -64.45 -50.38 67.74 Favored 'General case' 0 C--N 1.37 1.46 0 C-N-CA 129.097 2.959 . . . . 1.19 111.892 168.763 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.91 -31.92 73.38 Favored 'General case' 0 C--N 1.357 0.935 0 C-N-CA 129.223 3.009 . . . . 1.07 116.362 175.687 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 67.0 m -85.05 -27.11 26.58 Favored 'General case' 0 C--N 1.362 1.116 0 C-N-CA 125.762 1.625 . . . . 1.03 113.372 177.845 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 40.1 tp -77.12 -33.97 56.72 Favored 'General case' 0 C--N 1.361 1.079 0 C-N-CA 127.075 2.15 . . . . 2.35 112.546 177.189 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.6 pt -104.76 -21.8 5.16 Favored 'Isoleucine or valine' 0 C--N 1.366 1.285 0 C-N-CA 124.348 1.059 . . . . 1.07 112.185 -174.023 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.8 tpp180 84.99 70.06 0.01 OUTLIER 'General case' 0 C--N 1.372 1.562 0 C-N-CA 129.227 3.011 . . . . 3.61 114.051 175.818 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 93.4 mt -139.87 -166.57 2.11 Favored 'General case' 0 C--N 1.359 0.997 0 N-CA-C 106.981 -1.488 . . . . 1.12 106.981 169.972 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.418 HG22 ' H ' ' A' ' 51' ' ' THR . 71.3 p -98.8 144.53 28.33 Favored Pre-proline 0 C--N 1.368 1.412 0 C-N-CA 126.625 1.97 . . . . 1.36 108.703 175.643 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_exo -61.2 -18.92 61.3 Favored 'Trans proline' 0 C--N 1.367 1.548 1 C-N-CA 126.128 4.552 . . . . 1.0 116.572 172.26 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.418 ' H ' HG22 ' A' ' 49' ' ' THR . 13.8 t -85.54 -31.0 22.94 Favored 'General case' 0 C--N 1.366 1.294 0 C-N-CA 126.997 2.119 . . . . 1.13 111.144 -178.579 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -82.16 -32.41 30.0 Favored 'General case' 0 C--N 1.373 1.595 0 CA-C-N 119.362 0.983 . . . . 1.04 112.765 178.586 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.5 p -70.73 -36.71 66.08 Favored 'Isoleucine or valine' 0 C--N 1.376 1.743 0 C-N-CA 124.972 1.309 . . . . 1.07 112.74 172.2 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.98 -47.62 82.44 Favored 'General case' 0 C--N 1.369 1.439 0 C-N-CA 128.04 2.536 . . . . 1.54 113.543 170.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.293 4.9 mt -84.45 -5.83 9.82 Favored 'Isoleucine or valine' 0 C--N 1.369 1.42 0 N-CA-C 115.219 1.562 . . . . 1.32 115.219 177.519 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 31.0 t90 -74.53 -42.46 58.82 Favored 'General case' 0 C--N 1.376 1.743 0 C-N-CA 125.759 1.624 . . . . 0.28 110.87 166.945 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -84.51 -12.02 55.02 Favored 'General case' 0 C--N 1.365 1.276 0 C-N-CA 126.54 1.936 . . . . 0.46 113.588 -179.532 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -79.34 -34.71 41.93 Favored 'General case' 0 C--N 1.359 0.994 0 C-N-CA 127.377 2.271 . . . . 1.34 111.716 170.293 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 70.4 m-20 -90.39 -40.39 12.09 Favored 'General case' 0 C--N 1.367 1.338 0 C-N-CA 126.192 1.797 . . . . 0.56 114.051 -176.058 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 1.3 t60 . . . . . 0 C--N 1.363 1.191 0 N-CA-C 116.369 1.989 . . . . 2.39 116.369 -166.849 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . 0.259 10.8 m . . . . . 0 CA--C 1.519 -0.228 0 N-CA-C 110.268 -0.271 . . . . 1.31 110.268 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.7 pptp? -74.99 -9.92 58.99 Favored 'General case' 0 C--N 1.369 1.442 0 N-CA-C 117.473 2.397 . . . . 3.73 117.473 -162.233 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -83.59 -42.74 16.42 Favored 'General case' 0 C--N 1.363 1.157 0 C-N-CA 125.826 1.65 . . . . 1.13 111.736 168.671 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 50.2 mm-40 -73.52 -46.23 49.01 Favored 'General case' 0 C--N 1.368 1.41 0 C-N-CA 128.451 2.7 . . . . 0.86 112.104 -174.425 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 67.4 p -65.92 -40.48 91.48 Favored 'General case' 0 C--N 1.373 1.618 0 C-N-CA 127.896 2.478 . . . . 1.12 111.941 179.053 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -56.13 -56.58 19.21 Favored 'General case' 0 C--N 1.367 1.328 0 C-N-CA 128.332 2.653 . . . . 1.22 113.433 175.981 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.416 ' HA ' ' HG2' ' A' ' 26' ' ' ARG . 65.5 mm-40 -67.25 -35.84 80.37 Favored 'General case' 0 C--N 1.37 1.466 0 N-CA-C 115.397 1.629 . . . . 1.06 115.397 -176.407 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 96.3 mt -66.78 -38.02 85.72 Favored 'General case' 0 C--N 1.365 1.247 0 C-N-CA 126.606 1.962 . . . . 1.05 116.002 178.126 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -75.87 -28.67 58.25 Favored 'General case' 0 C--N 1.358 0.935 0 C-N-CA 128.091 2.556 . . . . 1.66 114.355 175.314 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.416 ' HG2' ' HA ' ' A' ' 23' ' ' GLU 0.254 0.5 OUTLIER -64.75 -50.15 67.97 Favored 'General case' 0 C--N 1.377 1.804 0 C-N-CA 125.263 1.425 . . . . 2.54 112.545 173.75 . . . . . . . . 4 4 . 1 . 025 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.14 -38.38 82.93 Favored 'General case' 0 C--N 1.384 2.108 0 N-CA-C 115.727 1.751 . . . . 1.89 115.727 170.823 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -68.28 -25.04 64.96 Favored 'General case' 0 C--N 1.377 1.774 0 C-N-CA 125.65 1.58 . . . . 0.83 114.32 -177.572 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 17.1 mmm-85 -72.21 -36.59 69.22 Favored 'General case' 0 C--N 1.366 1.286 0 C-N-CA 126.742 2.017 . . . . 4.57 114.495 173.441 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 65.7 tp60 -94.75 -27.6 15.72 Favored 'General case' 0 N--CA 1.433 -1.295 0 C-N-CA 128.162 2.585 . . . . 2.53 113.06 -172.579 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -167.52 158.79 11.67 Favored 'General case' 0 C--N 1.365 1.244 0 N-CA-C 107.516 -1.29 . . . . 2.04 107.516 -165.821 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 12.2 mtm105 -105.22 -37.48 6.87 Favored 'General case' 0 C--N 1.366 1.31 0 C-N-CA 124.878 1.271 . . . . 4.25 109.745 173.85 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 42.0 p90 -113.23 143.44 44.4 Favored 'General case' 0 C--N 1.36 1.058 0 C-N-CA 127.033 2.133 . . . . 5.9 109.315 -175.249 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -154.89 123.11 5.92 Favored 'General case' 0 N--CA 1.443 -0.796 0 N-CA-C 102.912 -2.995 . . . . 1.23 102.912 -170.938 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 8.2 m -81.98 163.03 22.43 Favored 'General case' 0 C--N 1.371 1.523 0 C-N-CA 126.805 2.042 . . . . 2.04 111.407 -170.43 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.65 -37.5 32.22 Favored Pre-proline 0 C--N 1.367 1.348 0 N-CA-C 120.21 3.411 . . . . 1.23 120.21 -172.908 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -67.23 -29.59 38.84 Favored 'Trans proline' 0 C--N 1.362 1.264 0 C-N-CA 124.406 3.404 . . . . 1.03 115.173 174.447 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -101.26 -20.35 15.29 Favored 'General case' 0 C--N 1.363 1.156 0 C-N-CA 125.941 1.697 . . . . 1.7 114.665 176.289 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 46.0 ttp85 -80.64 -42.9 21.35 Favored 'General case' 0 C--N 1.374 1.651 0 C-N-CA 125.97 1.708 . . . . 3.04 111.374 -176.961 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 77.4 mt-10 -84.07 -18.07 38.19 Favored 'General case' 0 C--N 1.367 1.346 0 C-N-CA 126.311 1.844 . . . . 1.74 111.738 -176.71 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 78.3 t60 -85.06 -23.44 28.57 Favored 'General case' 0 C--N 1.365 1.278 0 C-N-CA 127.991 2.517 . . . . 2.01 111.416 176.199 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -73.25 -34.31 65.77 Favored 'General case' 0 C--N 1.37 1.475 0 C-N-CA 128.03 2.532 . . . . 1.19 111.856 169.097 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -76.78 -28.92 55.85 Favored 'General case' 0 C--N 1.362 1.123 0 C-N-CA 127.2 2.2 . . . . 1.07 113.847 174.568 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 71.0 m -81.18 -33.14 33.24 Favored 'General case' 0 C--N 1.361 1.095 0 C-N-CA 125.098 1.359 . . . . 1.03 114.09 178.541 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 85.5 mt -85.07 -24.23 28.2 Favored 'General case' 0 C--N 1.359 1.018 0 C-N-CA 125.953 1.701 . . . . 2.35 113.294 177.355 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . 0.255 1.0 OUTLIER -96.39 -19.61 6.1 Favored 'Isoleucine or valine' 0 C--N 1.37 1.469 0 CA-C-N 118.994 0.815 . . . . 1.07 112.334 176.19 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 38.1 tpt85 86.72 51.91 0.01 OUTLIER 'General case' 0 C--N 1.371 1.524 0 C-N-CA 128.999 2.919 . . . . 3.61 112.639 167.685 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 85.1 mt -134.85 -167.57 2.01 Favored 'General case' 0 C--N 1.359 1.013 0 N-CA-C 106.71 -1.589 . . . . 1.12 106.71 176.208 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 81.9 p -102.09 145.44 30.5 Favored Pre-proline 0 C--N 1.365 1.281 0 C-N-CA 125.987 1.715 . . . . 1.36 108.393 -177.129 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_exo -61.5 -18.64 60.78 Favored 'Trans proline' 0 C--N 1.366 1.454 1 C-N-CA 126.127 4.552 . . . . 1.0 116.559 172.524 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 14.3 t -89.3 -30.19 18.63 Favored 'General case' 0 C--N 1.363 1.172 0 C-N-CA 126.635 1.974 . . . . 1.13 110.921 -176.355 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -80.94 -33.18 34.18 Favored 'General case' 0 C--N 1.375 1.679 0 C-N-CA 124.672 1.189 . . . . 1.04 111.839 177.644 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.2 p -70.21 -39.93 77.47 Favored 'Isoleucine or valine' 0 C--N 1.382 1.988 0 C-N-CA 125.419 1.488 . . . . 1.07 111.204 174.749 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.42 -33.74 76.56 Favored 'General case' 0 C--N 1.367 1.356 0 N-CA-C 115.568 1.692 . . . . 1.54 115.568 171.457 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.317 0.5 OUTLIER -80.51 -9.69 12.13 Favored 'Isoleucine or valine' 0 C--N 1.386 2.16 0 CA-C-N 121.671 2.032 . . . . 1.32 114.886 167.475 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 17.1 t90 -74.97 -37.05 62.02 Favored 'General case' 0 C--N 1.376 1.723 0 CA-C-N 120.891 1.678 . . . . 0.28 111.714 170.217 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 -85.09 -12.38 53.11 Favored 'General case' 0 C--N 1.367 1.342 0 C-N-CA 127.547 2.339 . . . . 0.46 113.523 177.671 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -70.03 -40.84 74.94 Favored 'General case' 0 C--N 1.367 1.357 0 C-N-CA 127.981 2.512 . . . . 1.34 112.091 163.926 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -91.62 -23.58 19.81 Favored 'General case' 0 C--N 1.367 1.327 0 C-N-CA 126.293 1.837 . . . . 0.56 113.785 -171.143 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . 2.221 46.5 t60 . . . . . 0 C--N 1.375 1.691 0 C-N-CA 125.954 1.702 . . . . 2.39 112.8 -178.076 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.3 m . . . . . 0 CA--C 1.518 -0.276 0 N-CA-C 107.895 -1.15 . . . . 1.31 107.895 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.03 0.03 29.39 Favored 'General case' 0 C--N 1.37 1.463 0 C-N-CA 127.091 2.156 . . . . 3.73 116.634 -167.258 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.33 -43.15 15.06 Favored 'General case' 0 C--N 1.363 1.164 0 C-N-CA 126.204 1.802 . . . . 1.13 112.102 165.98 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 41.3 mm-40 -77.4 -44.82 27.91 Favored 'General case' 0 C--N 1.367 1.357 0 C-N-CA 128.394 2.678 . . . . 0.86 111.395 -171.107 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 81.1 p -66.02 -33.53 76.02 Favored 'General case' 0 C--N 1.37 1.463 0 C-N-CA 127.755 2.422 . . . . 1.12 113.364 174.727 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 56.6 t80 -64.7 -49.87 69.21 Favored 'General case' 0 C--N 1.368 1.382 0 C-N-CA 127.703 2.401 . . . . 1.22 113.343 178.437 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -71.54 -35.68 70.73 Favored 'General case' 0 C--N 1.361 1.073 0 C-N-CA 126.217 1.807 . . . . 1.06 115.627 -178.594 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 93.5 mt -71.49 -40.08 70.43 Favored 'General case' 0 C--N 1.361 1.094 0 C-N-CA 126.329 1.851 . . . . 1.05 115.193 178.819 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -69.82 -33.24 72.05 Favored 'General case' 0 C--N 1.361 1.079 0 C-N-CA 127.363 2.265 . . . . 1.66 115.117 171.809 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -76.78 -27.0 55.12 Favored 'General case' 0 C--N 1.371 1.507 0 N-CA-C 116.101 1.889 . . . . 2.54 116.101 178.228 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.26 41.7 mmm-85 -75.41 -31.14 60.3 Favored 'General case' 0 C--N 1.368 1.389 0 C-N-CA 123.496 0.719 . . . . 1.89 112.166 165.619 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -69.28 -23.97 63.91 Favored 'General case' 0 C--N 1.374 1.648 0 C-N-CA 126.568 1.947 . . . . 0.83 113.965 -178.363 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 19.3 mmm-85 -74.33 -42.56 59.22 Favored 'General case' 0 C--N 1.365 1.282 0 C-N-CA 127.093 2.157 . . . . 4.57 114.324 174.585 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 64.3 tp60 -92.45 -23.36 19.18 Favored 'General case' 0 C--N 1.36 1.064 0 C-N-CA 128.079 2.552 . . . . 2.53 113.006 -172.27 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -158.45 156.59 30.63 Favored 'General case' 0 C--N 1.363 1.169 0 N-CA-C 106.64 -1.615 . . . . 2.04 106.64 -177.459 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 15.2 mtm105 -105.15 -33.3 8.31 Favored 'General case' 0 C--N 1.366 1.289 0 C-N-CA 124.991 1.316 . . . . 4.25 108.597 -179.857 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 49.9 p90 -125.87 146.49 49.8 Favored 'General case' 0 N--CA 1.437 -1.092 0 C-N-CA 127.539 2.336 . . . . 5.9 106.843 -178.651 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -153.19 123.55 7.11 Favored 'General case' 0 CA--C 1.499 -0.986 0 N-CA-C 102.816 -3.031 . . . . 1.23 102.816 -170.845 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 29.1 p -93.59 160.75 14.64 Favored 'General case' 0 C--N 1.365 1.239 0 C-N-CA 127.178 2.191 . . . . 2.04 110.735 -165.784 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . 0.256 . . -44.25 -43.73 16.31 Favored Pre-proline 0 C--N 1.367 1.359 0 N-CA-C 120.587 3.551 . . . . 1.23 120.587 -164.967 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_exo -67.27 -34.04 28.7 Favored 'Trans proline' 0 C--N 1.359 1.12 0 C-N-CA 124.253 3.302 . . . . 1.03 115.281 177.887 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -95.44 -20.15 19.3 Favored 'General case' 0 C--N 1.365 1.26 0 C-N-CA 126.551 1.941 . . . . 1.7 113.395 178.554 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 -83.92 -35.18 24.24 Favored 'General case' 0 C--N 1.375 1.695 0 CA-C-N 120.082 1.31 . . . . 3.04 111.956 -175.833 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -81.32 -16.12 53.37 Favored 'General case' 0 C--N 1.373 1.628 0 C-N-CA 126.719 2.007 . . . . 1.74 111.666 176.56 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 46.4 t-80 -80.79 -28.49 36.32 Favored 'General case' 0 C--N 1.366 1.296 0 C-N-CA 128.375 2.67 . . . . 2.01 111.666 174.695 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -73.44 -33.77 65.08 Favored 'General case' 0 C--N 1.37 1.461 0 C-N-CA 128.224 2.61 . . . . 1.19 112.293 171.944 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -78.86 -27.07 44.05 Favored 'General case' 0 C--N 1.363 1.172 0 C-N-CA 127.221 2.208 . . . . 1.07 113.886 175.061 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 75.7 m -83.35 -25.29 31.55 Favored 'General case' 0 C--N 1.359 1.018 0 C-N-CA 126.006 1.722 . . . . 1.03 112.522 175.238 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 48.2 tp -74.3 -39.89 62.6 Favored 'General case' 0 C--N 1.362 1.132 0 C-N-CA 128.007 2.523 . . . . 2.35 112.421 174.554 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.7 pt -103.84 -15.69 8.02 Favored 'Isoleucine or valine' 0 C--N 1.367 1.35 0 N-CA-C 113.505 0.928 . . . . 1.07 113.505 -173.978 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 23.2 tpt180 88.5 57.03 0.01 OUTLIER 'General case' 0 C--N 1.369 1.415 0 C-N-CA 129.394 3.078 . . . . 3.61 113.935 169.979 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 94.5 mt -134.65 -171.45 2.78 Favored 'General case' 0 C--N 1.361 1.094 0 C-N-CA 124.987 1.315 . . . . 1.12 108.089 175.527 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 31.8 p -110.22 158.75 34.33 Favored Pre-proline 0 C--N 1.368 1.381 0 C-N-CA 126.526 1.93 . . . . 1.36 110.289 179.933 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 78.6 Cg_exo -65.91 -19.5 58.3 Favored 'Trans proline' 0 C--N 1.371 1.715 1 C-N-CA 125.679 4.252 . . . . 1.0 117.466 -176.711 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 14.1 t -88.72 -29.1 20.09 Favored 'General case' 0 C--N 1.365 1.253 0 C-N-CA 125.711 1.605 . . . . 1.13 111.685 -175.888 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -84.81 -32.71 23.17 Favored 'General case' 0 C--N 1.368 1.387 0 C-N-CA 124.269 1.028 . . . . 1.04 112.39 179.031 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 8.0 p -67.41 -42.88 87.78 Favored 'Isoleucine or valine' 0 C--N 1.38 1.92 0 C-N-CA 124.055 0.942 . . . . 1.07 112.211 169.007 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.24 -37.26 86.84 Favored 'General case' 0 C--N 1.366 1.311 0 C-N-CA 127.128 2.171 . . . . 1.54 115.797 172.626 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.362 0.5 OUTLIER -77.38 -10.75 13.29 Favored 'Isoleucine or valine' 0 C--N 1.383 2.053 0 CA-C-N 121.397 1.908 . . . . 1.32 114.605 169.463 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 17.8 t90 -75.03 -41.22 59.65 Favored 'General case' 0 C--N 1.372 1.569 0 CA-C-N 120.355 1.434 . . . . 0.28 112.409 169.294 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 -85.14 -7.02 59.26 Favored 'General case' 0 C--N 1.367 1.357 0 C-N-CA 126.205 1.802 . . . . 0.46 113.084 178.389 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -71.41 -43.36 66.94 Favored 'General case' 0 C--N 1.364 1.226 0 C-N-CA 128.278 2.631 . . . . 1.34 112.326 162.901 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -90.46 -34.45 15.59 Favored 'General case' 0 C--N 1.366 1.313 0 C-N-CA 126.415 1.886 . . . . 0.56 114.233 -168.89 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 3.0 t60 . . . . . 0 C--N 1.361 1.088 0 N-CA-C 115.378 1.622 . . . . 2.39 115.378 -167.636 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 43.9 m . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 106.589 -1.634 . . . . 1.31 106.589 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.84 -8.27 57.02 Favored 'General case' 0 C--N 1.37 1.459 0 C-N-CA 127.12 2.168 . . . . 3.73 116.376 -170.401 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.9 -34.29 51.55 Favored 'General case' 0 C--N 1.367 1.333 0 C-N-CA 126.804 2.042 . . . . 1.13 112.703 171.554 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 42.9 mm-40 -77.39 -51.38 10.91 Favored 'General case' 0 C--N 1.366 1.304 0 C-N-CA 128.695 2.798 . . . . 0.86 110.545 -171.929 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 75.6 p -64.93 -33.5 76.17 Favored 'General case' 0 C--N 1.368 1.397 0 C-N-CA 127.484 2.314 . . . . 1.12 112.974 177.294 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -59.75 -64.48 0.93 Allowed 'General case' 0 C--N 1.372 1.569 0 C-N-CA 128.217 2.607 . . . . 1.22 112.928 175.023 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -67.28 -32.59 73.7 Favored 'General case' 0 C--N 1.375 1.711 0 N-CA-C 115.022 1.489 . . . . 1.06 115.022 -174.029 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 98.1 mt -67.85 -39.25 83.83 Favored 'General case' 0 C--N 1.361 1.106 0 N-CA-C 116.039 1.866 . . . . 1.05 116.039 176.93 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -75.25 -29.25 60.14 Favored 'General case' 0 C--N 1.361 1.08 0 C-N-CA 126.904 2.082 . . . . 1.66 114.597 177.659 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.8 mtm180 -69.17 -49.99 51.67 Favored 'General case' 0 C--N 1.374 1.649 0 C-N-CA 124.561 1.144 . . . . 2.54 112.181 176.574 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.456 0.0 OUTLIER -85.38 0.96 50.56 Favored 'General case' 0 C--N 1.375 1.705 0 N-CA-C 114.162 1.171 . . . . 1.89 114.162 179.457 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -78.03 -35.72 49.41 Favored 'General case' 0 C--N 1.374 1.658 0 C-N-CA 125.803 1.641 . . . . 0.83 113.206 162.46 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.3 mmm-85 -72.74 -33.82 66.64 Favored 'General case' 0 C--N 1.371 1.521 0 C-N-CA 125.859 1.664 . . . . 4.57 114.442 172.978 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 67.1 tp60 -91.82 -26.64 18.43 Favored 'General case' 0 N--CA 1.433 -1.321 0 C-N-CA 127.968 2.507 . . . . 2.53 112.695 -175.821 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 18.7 mm100 -143.33 137.62 28.91 Favored 'General case' 0 C--N 1.368 1.377 0 N-CA-C 107.812 -1.181 . . . . 2.04 107.812 -178.397 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . 2.131 0.4 OUTLIER -105.02 67.47 0.79 Allowed 'General case' 0 N--CA 1.5 2.042 0 C-N-CA 127.478 2.311 . . . . 4.25 110.046 154.576 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . 0.381 0.3 OUTLIER -148.24 -108.64 0.08 Allowed 'General case' 0 C--N 1.365 1.241 0 CA-C-O 115.842 -2.028 . . . . 5.9 111.829 -167.316 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -135.22 158.5 44.21 Favored 'General case' 0 C--N 1.381 1.97 3 C-N-CA 141.266 7.826 . . . . 1.23 97.702 19.38 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 27.9 p -84.53 149.75 25.7 Favored 'General case' 0 C--N 1.375 1.696 0 O-C-N 119.632 -1.918 . . . . 2.04 111.125 -170.902 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.73 -39.24 75.94 Favored Pre-proline 0 C--N 1.365 1.256 0 N-CA-C 119.602 3.186 . . . . 1.23 119.602 -167.358 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_exo -66.49 -26.33 47.45 Favored 'Trans proline' 0 C--N 1.364 1.35 0 C-N-CA 124.748 3.632 . . . . 1.03 115.474 173.826 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -99.55 -14.36 19.06 Favored 'General case' 0 C--N 1.364 1.221 0 C-N-CA 125.76 1.624 . . . . 1.7 114.082 174.239 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.2 ptt180 -85.83 -40.5 15.94 Favored 'General case' 0 C--N 1.375 1.717 0 CA-C-N 121.315 1.87 . . . . 3.04 112.384 -176.403 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -77.13 -27.63 54.04 Favored 'General case' 0 C--N 1.37 1.469 0 C-N-CA 128.82 2.848 . . . . 1.74 111.669 178.266 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 42.7 t-80 -83.94 -25.15 30.34 Favored 'General case' 0 C--N 1.367 1.343 0 C-N-CA 127.625 2.37 . . . . 2.01 111.456 -178.477 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -74.88 -31.78 61.69 Favored 'General case' 0 C--N 1.368 1.381 0 C-N-CA 128.127 2.571 . . . . 1.19 112.052 170.91 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.5 -27.61 58.85 Favored 'General case' 0 C--N 1.364 1.203 0 C-N-CA 127.216 2.206 . . . . 1.07 113.202 173.15 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 49.5 m -85.01 -27.45 26.41 Favored 'General case' 0 C--N 1.361 1.103 0 C-N-CA 126.196 1.798 . . . . 1.03 114.03 173.494 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 50.7 tp -74.39 -39.49 62.65 Favored 'General case' 0 C--N 1.362 1.152 0 C-N-CA 127.52 2.328 . . . . 2.35 112.391 179.317 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.9 pt -106.21 -17.75 7.49 Favored 'Isoleucine or valine' 0 C--N 1.363 1.178 0 C-N-CA 124.078 0.951 . . . . 1.07 112.099 -173.963 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 12.7 tpp180 87.74 65.01 0.01 OUTLIER 'General case' 0 C--N 1.374 1.656 0 C-N-CA 128.654 2.782 . . . . 3.61 113.999 168.581 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 96.8 mt -138.3 -173.46 3.54 Favored 'General case' 0 C--N 1.36 1.062 0 C-N-CA 124.389 1.076 . . . . 1.12 108.461 176.383 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.448 HG22 ' H ' ' A' ' 51' ' ' THR . 80.2 p -90.67 144.28 30.24 Favored Pre-proline 0 C--N 1.371 1.532 0 C-N-CA 126.273 1.829 . . . . 1.36 109.715 175.447 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -62.07 -21.05 71.74 Favored 'Trans proline' 0 C--N 1.362 1.237 1 C-N-CA 126.032 4.488 . . . . 1.0 116.52 172.876 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.448 ' H ' HG22 ' A' ' 49' ' ' THR . 13.5 t -86.33 -27.25 24.43 Favored 'General case' 0 C--N 1.366 1.297 0 C-N-CA 126.082 1.753 . . . . 1.13 111.114 -178.588 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -81.73 -32.45 31.57 Favored 'General case' 0 C--N 1.373 1.628 0 CA-C-N 119.185 0.902 . . . . 1.04 112.9 177.171 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.2 p -70.64 -38.35 72.9 Favored 'Isoleucine or valine' 0 C--N 1.376 1.751 0 C-N-CA 125.284 1.434 . . . . 1.07 112.566 174.139 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.49 -50.61 72.51 Favored 'General case' 0 C--N 1.375 1.693 0 C-N-CA 126.895 2.078 . . . . 1.54 114.615 171.139 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.276 6.9 mt -84.1 -2.26 6.9 Favored 'Isoleucine or valine' 0 C--N 1.369 1.444 0 N-CA-C 114.642 1.349 . . . . 1.32 114.642 177.623 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 31.9 t90 -74.43 -42.04 59.83 Favored 'General case' 0 C--N 1.379 1.858 0 C-N-CA 126.046 1.738 . . . . 0.28 110.419 165.916 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -76.22 -19.56 58.27 Favored 'General case' 0 C--N 1.371 1.513 0 C-N-CA 125.005 1.322 . . . . 0.46 113.628 175.946 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 18.8 tt0 -78.36 -35.98 46.69 Favored 'General case' 0 C--N 1.363 1.163 0 C-N-CA 127.153 2.181 . . . . 1.34 112.996 173.135 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 60.0 m-20 -95.02 -26.63 16.0 Favored 'General case' 0 C--N 1.368 1.377 0 C-N-CA 125.474 1.51 . . . . 0.56 114.083 -174.679 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 2.0 t60 . . . . . 0 C--N 1.367 1.344 0 C-N-CA 124.892 1.277 . . . . 2.39 113.564 -175.591 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.6 m . . . . . 0 CA--C 1.52 -0.181 0 N-CA-C 107.521 -1.288 . . . . 1.31 107.521 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.9 pttm -78.42 -6.58 55.69 Favored 'General case' 0 C--N 1.367 1.363 0 C-N-CA 127.24 2.216 . . . . 3.73 115.971 -171.501 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -78.96 -39.43 34.43 Favored 'General case' 0 C--N 1.366 1.307 0 C-N-CA 126.751 2.02 . . . . 1.13 112.422 169.627 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 41.1 mm-40 -75.43 -46.42 32.84 Favored 'General case' 0 C--N 1.366 1.308 0 C-N-CA 128.782 2.833 . . . . 0.86 111.834 -171.675 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 57.0 p -76.12 -27.93 57.27 Favored 'General case' 0 C--N 1.364 1.201 0 C-N-CA 126.413 1.885 . . . . 1.12 111.95 -177.728 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 50.0 t80 -64.87 -52.45 56.5 Favored 'General case' 0 C--N 1.369 1.436 0 C-N-CA 127.595 2.358 . . . . 1.22 112.689 174.943 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -75.17 -33.29 61.46 Favored 'General case' 0 C--N 1.36 1.034 0 N-CA-C 115.84 1.792 . . . . 1.06 115.84 -176.493 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 87.0 mt -72.71 -44.31 61.89 Favored 'General case' 0 C--N 1.363 1.161 0 C-N-CA 126.074 1.749 . . . . 1.05 114.535 178.198 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -69.81 -31.65 69.65 Favored 'General case' 0 C--N 1.364 1.226 0 C-N-CA 126.746 2.018 . . . . 1.66 115.07 173.935 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.5 ptm180 -78.81 -29.03 44.58 Favored 'General case' 0 C--N 1.371 1.519 0 N-CA-C 115.085 1.513 . . . . 2.54 115.085 179.954 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 30.8 mmm-85 -79.72 -22.22 43.61 Favored 'General case' 0 C--N 1.369 1.42 0 C-N-CA 124.017 0.927 . . . . 1.89 112.857 165.776 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -78.29 -32.43 49.41 Favored 'General case' 0 C--N 1.365 1.251 0 O-C-N 120.134 -1.604 . . . . 0.83 114.048 179.308 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 11.4 mmt85 -79.53 -44.56 20.94 Favored 'General case' 0 C--N 1.366 1.298 0 C-N-CA 125.56 1.544 . . . . 4.57 114.094 178.824 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 66.1 tp60 -90.98 -18.24 24.98 Favored 'General case' 0 C--N 1.363 1.167 0 C-N-CA 127.297 2.239 . . . . 2.53 112.494 -173.478 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -142.59 178.98 7.25 Favored 'General case' 0 C--N 1.36 1.05 0 N-CA-C 108.451 -0.944 . . . . 2.04 108.451 -172.327 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 72.2 mtt85 -105.53 -77.57 0.59 Allowed 'General case' 0 C--N 1.367 1.355 0 N-CA-C 106.505 -1.665 . . . . 4.25 106.505 120.676 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . 0.382 15.6 t80 86.94 -55.98 0.05 OUTLIER 'General case' 0 C--N 1.361 1.081 1 C-N-CA 133.633 4.773 . . . . 5.9 113.206 149.233 . . . . . . . . 3 2 . 1 . 028 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . 0.276 0.0 OUTLIER -58.65 107.84 0.56 Allowed 'General case' 0 C--N 1.354 0.799 0 C-N-CA 130.999 3.72 . . . . 1.23 114.146 178.32 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.4 t -110.46 -175.96 2.86 Favored 'General case' 0 C--N 1.363 1.189 0 N-CA-C 104.936 -2.246 . . . . 2.04 104.936 176.113 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . 0.255 . . -47.5 -45.78 57.99 Favored Pre-proline 0 C--N 1.365 1.264 0 N-CA-C 120.257 3.429 . . . . 1.23 120.257 -164.262 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_exo -68.83 -34.34 18.36 Favored 'Trans proline' 0 C--N 1.36 1.166 0 C-N-CA 124.285 3.323 . . . . 1.03 114.686 178.497 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -93.84 -13.11 27.63 Favored 'General case' 0 C--N 1.364 1.206 0 C-N-CA 126.53 1.932 . . . . 1.7 113.809 179.529 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 52.4 ttp180 -83.99 -28.5 27.69 Favored 'General case' 0 C--N 1.371 1.538 0 C-N-CA 127.007 2.123 . . . . 3.04 111.873 174.428 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 58.4 mm-40 -78.85 -21.52 47.46 Favored 'General case' 0 C--N 1.371 1.519 0 C-N-CA 126.696 1.998 . . . . 1.74 112.279 173.174 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 24.6 t60 -83.58 -28.21 28.7 Favored 'General case' 0 C--N 1.363 1.191 0 C-N-CA 128.015 2.526 . . . . 2.01 111.35 177.983 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.52 -52.02 30.24 Favored 'General case' 0 C--N 1.37 1.465 0 C-N-CA 129.323 3.049 . . . . 1.19 111.49 174.279 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.31 -32.16 73.67 Favored 'General case' 0 C--N 1.356 0.876 0 C-N-CA 129.849 3.26 . . . . 1.07 116.07 177.355 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 75.5 m -85.17 -28.63 25.35 Favored 'General case' 0 C--N 1.362 1.132 0 C-N-CA 125.399 1.48 . . . . 1.03 113.568 176.584 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 37.0 tp -74.05 -34.27 64.01 Favored 'General case' 0 C--N 1.361 1.069 0 C-N-CA 126.17 1.788 . . . . 2.35 113.321 175.529 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . 0.25 1.5 pt -106.13 -20.75 5.8 Favored 'Isoleucine or valine' 0 C--N 1.365 1.275 0 C-N-CA 124.506 1.122 . . . . 1.07 112.162 -173.074 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.7 tpp180 94.78 58.59 0.0 OUTLIER 'General case' 0 C--N 1.378 1.822 0 C-N-CA 130.38 3.472 . . . . 3.61 115.162 165.712 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 90.8 mt -130.85 -171.44 2.57 Favored 'General case' 0 C--N 1.358 0.977 0 O-C-N 120.85 -1.156 . . . . 1.12 110.044 179.72 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 79.6 p -95.78 147.03 32.35 Favored Pre-proline 0 C--N 1.368 1.372 0 C-N-CA 127.814 2.445 . . . . 1.36 108.786 177.897 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -61.11 -22.27 74.18 Favored 'Trans proline' 0 C--N 1.364 1.38 1 C-N-CA 126.146 4.564 . . . . 1.0 116.51 172.69 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.6 t -88.07 -27.34 22.03 Favored 'General case' 0 C--N 1.367 1.33 0 C-N-CA 126.017 1.727 . . . . 1.13 111.125 -176.214 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -83.39 -33.25 25.81 Favored 'General case' 0 C--N 1.37 1.475 0 CA-C-N 119.681 1.128 . . . . 1.04 112.381 177.728 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.1 p -68.68 -40.58 81.84 Favored 'Isoleucine or valine' 0 C--N 1.379 1.856 0 C-N-CA 125.421 1.489 . . . . 1.07 113.496 172.357 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.66 -50.17 74.07 Favored 'General case' 0 C--N 1.375 1.691 0 C-N-CA 129.013 2.925 . . . . 1.54 113.282 173.014 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.278 6.4 mt -85.83 -5.5 9.9 Favored 'Isoleucine or valine' 0 C--N 1.367 1.352 0 N-CA-C 114.758 1.392 . . . . 1.32 114.758 -179.29 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 13.6 t90 -75.71 -44.0 44.22 Favored 'General case' 0 C--N 1.379 1.882 0 C-N-CA 125.397 1.479 . . . . 0.28 110.626 168.88 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -82.99 -14.61 53.7 Favored 'General case' 0 C--N 1.372 1.574 0 C-N-CA 125.773 1.629 . . . . 0.46 113.347 179.226 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -74.33 -41.25 61.42 Favored 'General case' 0 C--N 1.361 1.097 0 C-N-CA 126.946 2.099 . . . . 1.34 113.279 172.736 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 50.4 m-20 -90.1 -23.4 21.4 Favored 'General case' 0 C--N 1.367 1.33 0 C-N-CA 125.91 1.684 . . . . 0.56 113.633 -172.075 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 11.4 m80 . . . . . 0 C--N 1.365 1.242 0 C-N-CA 126.476 1.91 . . . . 2.39 115.411 -179.339 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.9 m . . . . . 0 CA--C 1.521 -0.161 0 N-CA-C 107.763 -1.199 . . . . 1.31 107.763 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.9 pptp? -75.66 -11.65 60.05 Favored 'General case' 0 C--N 1.368 1.391 0 C-N-CA 127.319 2.248 . . . . 3.73 116.046 -170.82 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -79.53 -37.09 37.38 Favored 'General case' 0 C--N 1.367 1.342 0 C-N-CA 126.863 2.065 . . . . 1.13 112.575 172.54 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 45.9 mm-40 -75.56 -43.57 47.85 Favored 'General case' 0 C--N 1.368 1.395 0 C-N-CA 128.548 2.739 . . . . 0.86 111.405 -174.516 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 61.0 p -73.31 -32.97 64.92 Favored 'General case' 0 C--N 1.366 1.319 0 C-N-CA 126.785 2.034 . . . . 1.12 112.463 179.799 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -64.17 -50.36 68.46 Favored 'General case' 0 C--N 1.369 1.421 0 C-N-CA 127.798 2.439 . . . . 1.22 112.976 177.115 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -73.64 -35.6 65.31 Favored 'General case' 0 C--N 1.359 0.99 0 N-CA-C 115.394 1.628 . . . . 1.06 115.394 -177.259 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 90.8 mt -70.43 -42.55 71.41 Favored 'General case' 0 C--N 1.363 1.186 0 C-N-CA 126.189 1.795 . . . . 1.05 114.667 178.509 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -68.47 -33.52 74.31 Favored 'General case' 0 C--N 1.363 1.167 0 C-N-CA 126.872 2.069 . . . . 1.66 115.299 171.974 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.5 ptm180 -78.55 -27.03 45.79 Favored 'General case' 0 C--N 1.366 1.323 0 N-CA-C 115.896 1.813 . . . . 2.54 115.896 -177.544 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.269 1.6 mmm180 -78.07 -31.08 50.01 Favored 'General case' 0 C--N 1.369 1.442 0 C-N-CA 123.734 0.814 . . . . 1.89 112.016 164.029 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -70.65 -25.44 63.01 Favored 'General case' 0 C--N 1.371 1.534 0 C-N-CA 126.932 2.093 . . . . 0.83 114.52 -178.578 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 37.3 mmt-85 -79.31 -37.98 36.39 Favored 'General case' 0 C--N 1.366 1.326 0 C-N-CA 125.599 1.56 . . . . 4.57 113.3 178.899 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 62.3 tp60 -91.14 -25.08 19.76 Favored 'General case' 0 C--N 1.364 1.225 0 C-N-CA 127.983 2.513 . . . . 2.53 112.632 -175.116 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -159.66 154.12 23.99 Favored 'General case' 0 C--N 1.364 1.213 0 N-CA-C 107.297 -1.371 . . . . 2.04 107.297 -172.502 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 77.9 mtt85 -105.17 -35.69 7.51 Favored 'General case' 0 C--N 1.36 1.026 0 C-N-CA 125.163 1.385 . . . . 4.25 109.734 -179.634 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 -116.83 137.77 51.97 Favored 'General case' 0 C--N 1.358 0.977 0 C-N-CA 126.301 1.84 . . . . 5.9 109.034 -178.222 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -148.26 116.2 6.41 Favored 'General case' 0 CA--C 1.5 -0.975 0 C-N-CA 128.843 2.857 . . . . 1.23 103.96 -174.459 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . 2.311 15.1 t -96.7 177.18 5.73 Favored 'General case' 0 C--N 1.375 1.701 0 C-N-CA 127.358 2.263 . . . . 2.04 107.259 -170.127 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . 2.281 . . -9.73 -76.32 0.0 OUTLIER Pre-proline 0 C--N 1.361 1.101 2 C-N-CA 133.015 4.526 . . . . 1.23 122.558 -178.761 . . . . . . . . 3 2 . 1 . 029 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -74.29 -40.34 1.24 Allowed 'Trans proline' 0 C--N 1.363 1.338 1 C-N-CA 125.603 4.202 . . . . 1.03 111.615 -160.646 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -81.16 -25.03 37.15 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 128.37 2.668 . . . . 1.7 114.94 174.272 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.36 -37.09 26.14 Favored 'General case' 0 C--N 1.38 1.935 0 CA-C-N 121.179 1.809 . . . . 3.04 112.26 -172.952 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -85.13 -19.12 32.3 Favored 'General case' 0 C--N 1.368 1.383 0 C-N-CA 127.575 2.35 . . . . 1.74 111.732 -178.673 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 57.4 t-80 -81.58 -23.35 37.16 Favored 'General case' 0 C--N 1.368 1.37 0 C-N-CA 127.625 2.37 . . . . 2.01 112.252 175.033 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -69.48 -42.28 75.02 Favored 'General case' 0 C--N 1.368 1.41 0 C-N-CA 127.836 2.455 . . . . 1.19 111.722 167.89 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.99 -32.16 71.52 Favored 'General case' 0 C--N 1.363 1.191 0 C-N-CA 127.815 2.446 . . . . 1.07 115.789 173.599 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 66.4 m -83.95 -33.33 24.68 Favored 'General case' 0 C--N 1.361 1.076 0 C-N-CA 125.127 1.371 . . . . 1.03 113.976 -177.251 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 69.1 mt -84.21 -24.77 29.91 Favored 'General case' 0 C--N 1.359 1.003 0 C-N-CA 125.539 1.536 . . . . 2.35 113.419 177.348 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.6 pt -95.2 -22.11 5.45 Favored 'Isoleucine or valine' 0 C--N 1.37 1.493 0 CA-C-N 119.116 0.871 . . . . 1.07 112.276 176.392 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 85.47 63.55 0.01 OUTLIER 'General case' 0 C--N 1.373 1.599 0 C-N-CA 129.475 3.11 . . . . 3.61 111.697 172.132 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 87.5 mt -139.19 -174.55 3.89 Favored 'General case' 0 C--N 1.361 1.075 0 N-CA-C 107.124 -1.436 . . . . 1.12 107.124 170.9 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 81.6 p -95.82 148.51 34.67 Favored Pre-proline 0 C--N 1.368 1.398 0 C-N-CA 126.29 1.836 . . . . 1.36 109.216 -179.04 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_exo -60.71 -20.95 67.86 Favored 'Trans proline' 0 C--N 1.367 1.537 1 C-N-CA 126.139 4.559 . . . . 1.0 116.471 171.911 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.6 t -87.05 -28.61 22.48 Favored 'General case' 0 C--N 1.367 1.329 0 C-N-CA 126.256 1.822 . . . . 1.13 111.387 -177.395 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -83.84 -29.82 26.98 Favored 'General case' 0 C--N 1.373 1.612 0 CA-C-N 119.446 1.021 . . . . 1.04 112.916 177.484 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.1 p -68.61 -40.99 82.59 Favored 'Isoleucine or valine' 0 C--N 1.38 1.902 0 C-N-CA 124.962 1.305 . . . . 1.07 111.737 170.883 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . 0.3 0.0 OUTLIER -65.33 -34.61 78.74 Favored 'General case' 0 C--N 1.37 1.472 0 N-CA-C 116.976 2.213 . . . . 1.54 116.976 171.243 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.278 0.3 OUTLIER -77.28 -15.49 14.47 Favored 'Isoleucine or valine' 0 C--N 1.384 2.091 0 CA-C-N 121.591 1.996 . . . . 1.32 114.016 170.087 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 39.8 t90 -73.38 -41.34 63.48 Favored 'General case' 0 C--N 1.381 1.941 0 C-N-CA 125.569 1.548 . . . . 0.28 112.415 175.4 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -83.51 -12.51 56.15 Favored 'General case' 0 C--N 1.369 1.414 0 C-N-CA 126.028 1.731 . . . . 0.46 112.689 179.19 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -72.79 -44.04 62.02 Favored 'General case' 0 C--N 1.366 1.306 0 C-N-CA 127.01 2.124 . . . . 1.34 112.603 164.975 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 45.2 m-20 -92.37 -13.78 29.64 Favored 'General case' 0 C--N 1.366 1.322 0 N-CA-C 116.514 2.042 . . . . 0.56 116.514 -164.566 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 . . . . . 0 C--N 1.365 1.263 0 CA-C-N 120.583 1.538 . . . . 2.39 112.761 166.453 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 36.3 m . . . . . 0 CA--C 1.518 -0.286 0 N-CA-C 107.371 -1.344 . . . . 1.31 107.371 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 36.3 mttp -85.05 19.99 2.01 Favored 'General case' 0 C--N 1.37 1.46 0 C-N-CA 127.12 2.168 . . . . 3.73 114.692 -169.662 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.33 -49.48 8.11 Favored 'General case' 0 C--N 1.36 1.033 0 C-N-CA 126.65 1.98 . . . . 1.13 112.157 154.455 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 40.1 mm-40 -78.59 -48.8 14.45 Favored 'General case' 0 C--N 1.368 1.372 0 C-N-CA 128.671 2.788 . . . . 0.86 112.43 -166.704 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 70.3 p -70.75 -30.23 66.68 Favored 'General case' 0 C--N 1.369 1.436 0 C-N-CA 127.863 2.465 . . . . 1.12 112.358 179.57 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 51.8 t80 -67.07 -49.8 63.85 Favored 'General case' 0 C--N 1.365 1.263 0 C-N-CA 129.146 2.978 . . . . 1.22 112.882 179.121 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -72.52 -37.1 68.44 Favored 'General case' 0 C--N 1.361 1.078 0 C-N-CA 126.216 1.807 . . . . 1.06 115.501 -178.846 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 94.4 mt -69.5 -41.7 75.72 Favored 'General case' 0 C--N 1.363 1.165 0 C-N-CA 125.881 1.672 . . . . 1.05 114.807 177.769 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -71.0 -32.82 69.73 Favored 'General case' 0 C--N 1.364 1.22 0 C-N-CA 126.201 1.8 . . . . 1.66 114.862 175.136 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.2 ptp180 -74.26 -40.61 62.23 Favored 'General case' 0 C--N 1.375 1.715 0 N-CA-C 114.727 1.38 . . . . 2.54 114.727 179.216 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.613 3.1 ptm180 -86.43 2.67 46.88 Favored 'General case' 0 C--N 1.367 1.34 0 N-CA-C 116.215 1.931 . . . . 1.89 116.215 176.883 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 27.8 t80 -78.35 -42.39 30.63 Favored 'General case' 0 C--N 1.381 1.957 0 C-N-CA 126.587 1.955 . . . . 0.83 112.888 152.349 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.75 -29.33 62.16 Favored 'General case' 0 C--N 1.368 1.394 0 C-N-CA 126.878 2.071 . . . . 4.57 113.094 -176.421 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 62.9 tp60 -87.84 -27.53 22.19 Favored 'General case' 0 C--N 1.367 1.349 0 C-N-CA 127.622 2.369 . . . . 2.53 112.182 -179.824 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -169.74 163.76 9.92 Favored 'General case' 0 C--N 1.369 1.432 0 CA-C-O 122.19 0.995 . . . . 2.04 109.416 178.634 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.4 mtp-105 -105.42 -38.79 6.36 Favored 'General case' 0 C--N 1.355 0.823 0 C-N-CA 127.241 2.216 . . . . 4.25 113.512 -177.142 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 51.9 p90 -77.83 -24.06 48.8 Favored 'General case' 0 C--N 1.365 1.264 0 N-CA-C 116.754 2.131 . . . . 5.9 116.754 -150.432 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.45 HD12 ' HB2' ' A' ' 39' ' ' ARG 0.263 0.5 OUTLIER -33.22 106.57 0.04 OUTLIER 'General case' 0 N--CA 1.487 1.423 1 C-N-CA 132.899 4.48 . . . . 1.23 116.891 -164.398 . . . . . . . . 5 4 . 1 . 030 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 14.4 m -110.55 171.2 7.6 Favored 'General case' 0 C--N 1.355 0.843 0 C-N-CA 129.776 3.23 . . . . 2.04 106.03 -173.985 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -39.09 -37.76 0.61 Allowed Pre-proline 0 C--N 1.368 1.396 1 N-CA-C 122.122 4.119 . . . . 1.23 122.122 -164.995 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo -65.62 -33.56 44.86 Favored 'Trans proline' 0 C--N 1.358 1.032 0 C-N-CA 124.403 3.402 . . . . 1.03 115.502 175.619 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -103.81 -24.69 13.29 Favored 'General case' 0 C--N 1.362 1.129 0 C-N-CA 126.393 1.877 . . . . 1.7 114.865 177.646 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.45 ' HB2' HD12 ' A' ' 34' ' ' LEU . 0.7 OUTLIER -82.22 -35.27 28.41 Favored 'General case' 0 C--N 1.374 1.661 0 C-N-CA 126.226 1.811 . . . . 3.04 111.153 -176.75 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -83.0 -20.49 35.01 Favored 'General case' 0 C--N 1.373 1.602 0 C-N-CA 126.222 1.809 . . . . 1.74 112.293 179.032 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 23.1 t60 -78.44 -28.31 46.67 Favored 'General case' 0 C--N 1.367 1.338 0 C-N-CA 128.155 2.582 . . . . 2.01 111.187 175.722 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -71.95 -38.72 69.73 Favored 'General case' 0 C--N 1.37 1.492 0 C-N-CA 127.802 2.441 . . . . 1.19 112.73 170.902 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -74.7 -28.72 60.94 Favored 'General case' 0 C--N 1.361 1.104 0 C-N-CA 127.392 2.277 . . . . 1.07 113.877 -179.387 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 59.2 m -85.18 -29.34 24.81 Favored 'General case' 0 C--N 1.361 1.078 0 C-N-CA 126.122 1.769 . . . . 1.03 113.53 175.08 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -75.11 -36.82 61.64 Favored 'General case' 0 C--N 1.364 1.23 0 C-N-CA 127.183 2.193 . . . . 2.35 112.515 177.222 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.5 pt -103.14 -19.27 6.24 Favored 'Isoleucine or valine' 0 C--N 1.366 1.294 0 C-N-CA 124.277 1.031 . . . . 1.07 112.355 -173.922 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 13.2 tpp85 83.24 66.93 0.02 OUTLIER 'General case' 0 C--N 1.372 1.562 0 C-N-CA 128.995 2.918 . . . . 3.61 113.313 174.102 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 86.5 mt -141.55 -170.35 3.08 Favored 'General case' 0 C--N 1.359 1.014 0 N-CA-C 107.095 -1.446 . . . . 1.12 107.095 173.746 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.428 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 18.8 p -109.71 158.49 34.66 Favored Pre-proline 0 C--N 1.367 1.352 0 C-N-CA 126.275 1.83 . . . . 1.36 110.538 -175.649 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 49' ' ' THR . 88.7 Cg_exo -67.04 -25.26 44.27 Favored 'Trans proline' 0 C--N 1.373 1.86 1 C-N-CA 125.866 4.377 . . . . 1.0 115.765 -174.78 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 12.4 t -87.3 -26.92 23.19 Favored 'General case' 0 C--N 1.365 1.253 0 C-N-CA 127.035 2.134 . . . . 1.13 111.132 -173.896 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -84.6 -33.79 23.29 Favored 'General case' 0 C--N 1.371 1.51 0 C-N-CA 124.239 1.016 . . . . 1.04 112.442 178.697 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.1 p -67.55 -36.89 77.65 Favored 'Isoleucine or valine' 0 C--N 1.381 1.944 0 C-N-CA 124.432 1.093 . . . . 1.07 113.013 168.627 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.9 -56.96 9.79 Favored 'General case' 0 C--N 1.37 1.499 0 C-N-CA 128.606 2.762 . . . . 1.54 115.162 168.849 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.271 7.2 mt -84.22 -8.36 11.21 Favored 'Isoleucine or valine' 0 C--N 1.367 1.366 0 N-CA-C 115.009 1.485 . . . . 1.32 115.009 -176.448 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 57.1 t90 -75.45 -43.42 49.64 Favored 'General case' 0 C--N 1.378 1.827 0 C-N-CA 124.747 1.219 . . . . 0.28 110.864 167.775 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -82.24 -12.89 57.8 Favored 'General case' 0 C--N 1.368 1.389 0 C-N-CA 126.593 1.957 . . . . 0.46 113.038 -179.261 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -77.67 -42.84 33.22 Favored 'General case' 0 C--N 1.363 1.185 0 C-N-CA 127.532 2.333 . . . . 1.34 111.911 172.425 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 69.6 m-20 -87.69 -20.1 26.74 Favored 'General case' 0 C--N 1.366 1.298 0 C-N-CA 126.458 1.903 . . . . 0.56 113.027 -175.868 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 5.9 m80 . . . . . 0 C--N 1.365 1.254 0 C-N-CA 125.917 1.687 . . . . 2.39 114.338 178.895 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.485 0.184 . . . . 17.23 110.746 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.0 p -107.82 -31.94 7.82 Favored 'General case' 0 C--N 1.364 1.234 0 C-N-CA 126.66 1.984 . . . . 16.87 108.656 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 -131.32 70.05 1.47 Allowed 'General case' 0 C--N 1.362 1.112 0 N-CA-C 105.71 -1.959 . . . . 17.01 105.71 176.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.45 159.29 9.14 Favored Glycine 0 C--N 1.357 1.7 0 N-CA-C 106.245 -2.742 . . . . 15.79 106.245 -179.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -163.44 145.4 7.65 Favored Pre-proline 0 C--N 1.36 1.038 0 N-CA-C 105.724 -1.954 . . . . 16.2 105.724 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -91.84 66.89 1.0 Allowed 'Trans proline' 0 C--N 1.367 1.536 0 CA-C-N 125.463 2.987 . . . . 14.32 110.204 175.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 71.9 m-80 -145.46 179.46 7.39 Favored 'General case' 0 C--N 1.359 0.982 0 N-CA-C 105.15 -2.167 . . . . 15.54 105.15 -179.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? -137.58 100.12 4.13 Favored 'General case' 0 C--N 1.359 0.984 0 N-CA-C 106.048 -1.834 . . . . 17.23 106.048 176.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -153.72 -84.5 0.07 Allowed 'General case' 0 C--N 1.358 0.958 0 N-CA-C 105.042 -2.207 . . . . 14.38 105.042 176.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.7 mmm180 -149.19 119.96 7.56 Favored 'General case' 0 C--N 1.36 1.056 0 N-CA-C 106.165 -1.791 . . . . 13.85 106.165 -177.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . 2.322 0.0 OUTLIER 81.18 55.1 0.02 OUTLIER 'General case' 0 C--N 1.371 1.502 0 C-N-CA 130.003 3.321 . . . . 13.21 115.065 -9.298 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 90.7 mmt-85 -91.48 124.57 35.75 Favored 'General case' 0 C--N 1.372 1.584 1 C-N-CA 134.613 5.165 . . . . 10.61 112.853 8.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.59 169.94 13.89 Favored 'General case' 0 N--CA 1.426 -1.647 0 C-N-CA 129.697 3.199 . . . . 8.2 114.341 176.637 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 24.1 m -130.92 135.72 59.51 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.868 0 N-CA-C 104.017 -2.586 . . . . 4.36 104.017 146.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.4 mt -138.24 107.58 6.12 Favored 'General case' 0 C--N 1.355 0.846 0 N-CA-C 105.48 -2.044 . . . . 5.24 105.48 176.171 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.405 ' HB3' ' HB2' ' A' ' 20' ' ' GLN . 20.5 m-30 -105.25 154.06 20.75 Favored 'General case' 0 N--CA 1.439 -0.999 0 C-N-CA 129.144 2.978 . . . . 1.53 109.921 -172.453 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . 0.275 7.5 m -95.43 -173.6 2.95 Favored 'General case' 0 C--N 1.375 1.701 0 C-N-CA 126.529 1.932 . . . . 1.31 111.418 -175.534 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.7 pttp -75.89 -10.37 59.37 Favored 'General case' 0 C--N 1.369 1.441 0 N-CA-C 117.758 2.503 . . . . 3.73 117.758 -157.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -83.24 -41.05 18.81 Favored 'General case' 0 C--N 1.362 1.15 0 C-N-CA 125.62 1.568 . . . . 1.13 111.999 167.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.405 ' HB2' ' HB3' ' A' ' 16' ' ' PHE . 57.7 mm-40 -75.77 -44.31 42.15 Favored 'General case' 0 C--N 1.368 1.39 0 C-N-CA 128.422 2.689 . . . . 0.86 111.445 -173.036 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 61.6 p -73.03 -26.59 61.36 Favored 'General case' 0 C--N 1.369 1.417 0 C-N-CA 127.637 2.375 . . . . 1.12 112.509 179.01 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 53.0 t80 -67.58 -52.68 35.66 Favored 'General case' 0 C--N 1.371 1.507 0 C-N-CA 127.825 2.45 . . . . 1.22 112.316 176.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -71.9 -35.19 69.63 Favored 'General case' 0 C--N 1.363 1.163 0 N-CA-C 115.469 1.655 . . . . 1.06 115.469 -177.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 93.9 mt -72.18 -40.96 67.55 Favored 'General case' 0 C--N 1.359 0.998 0 C-N-CA 126.035 1.734 . . . . 1.05 114.962 178.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -71.4 -30.98 66.73 Favored 'General case' 0 C--N 1.361 1.088 0 C-N-CA 125.598 1.559 . . . . 1.66 115.135 172.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.1 ptm180 -78.64 -26.94 45.26 Favored 'General case' 0 C--N 1.371 1.511 0 N-CA-C 114.735 1.384 . . . . 2.54 114.735 -178.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 39.8 mmm-85 -79.02 -27.09 43.21 Favored 'General case' 0 C--N 1.368 1.399 0 C-N-CA 124.038 0.935 . . . . 1.89 112.939 163.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -73.86 -17.81 61.01 Favored 'General case' 0 C--N 1.369 1.45 0 CA-C-N 120.535 1.516 . . . . 0.83 114.301 177.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 39.0 mmt-85 -83.8 -46.18 12.49 Favored 'General case' 0 C--N 1.365 1.28 0 C-N-CA 125.961 1.704 . . . . 4.57 112.676 174.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 68.2 tp60 -90.94 -23.99 20.29 Favored 'General case' 0 C--N 1.367 1.362 0 C-N-CA 127.474 2.309 . . . . 2.53 113.102 -174.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -126.47 170.74 11.67 Favored 'General case' 0 C--N 1.365 1.272 0 C-N-CA 125.07 1.348 . . . . 2.04 108.162 -177.066 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 62.8 mtt85 -107.12 -41.48 5.14 Favored 'General case' 0 C--N 1.361 1.07 0 C-N-CA 126.836 2.054 . . . . 4.25 110.381 165.084 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 33.6 p90 -144.52 152.37 40.49 Favored 'General case' 0 C--N 1.36 1.025 0 C-N-CA 127.157 2.183 . . . . 5.9 106.337 -161.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -150.36 120.93 7.45 Favored 'General case' 0 N--CA 1.441 -0.875 0 N-CA-C 104.212 -2.514 . . . . 1.23 104.212 -174.335 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.6 p -84.35 162.93 19.86 Favored 'General case' 0 C--N 1.372 1.571 0 C-N-CA 127.886 2.474 . . . . 2.04 111.234 -173.065 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.26 -36.98 31.08 Favored Pre-proline 0 C--N 1.367 1.353 0 N-CA-C 120.466 3.506 . . . . 1.23 120.466 -170.306 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -67.51 -29.19 37.58 Favored 'Trans proline' 0 C--N 1.36 1.142 0 C-N-CA 124.082 3.188 . . . . 1.03 114.669 175.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.265 0.9 OUTLIER -104.45 -17.1 14.88 Favored 'General case' 0 C--N 1.361 1.091 0 C-N-CA 126.681 1.992 . . . . 1.7 114.974 178.611 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 56.0 ttp85 -82.96 -37.43 24.1 Favored 'General case' 0 C--N 1.376 1.727 0 C-N-CA 126.26 1.824 . . . . 3.04 112.164 178.097 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -77.96 -20.86 51.92 Favored 'General case' 0 C--N 1.367 1.34 0 C-N-CA 126.943 2.097 . . . . 1.74 112.351 177.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 34.9 t-80 -81.2 -28.89 34.73 Favored 'General case' 0 C--N 1.364 1.233 0 C-N-CA 128.374 2.669 . . . . 2.01 111.486 175.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -75.23 -30.59 60.59 Favored 'General case' 0 C--N 1.369 1.449 0 C-N-CA 128.444 2.698 . . . . 1.19 112.354 172.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.63 -27.2 34.26 Favored 'General case' 0 C--N 1.364 1.239 0 C-N-CA 127.67 2.388 . . . . 1.07 112.939 177.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 69.0 m -85.06 -26.15 27.16 Favored 'General case' 0 C--N 1.362 1.125 0 C-N-CA 126.215 1.806 . . . . 1.03 113.075 173.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 48.3 tp -75.33 -37.67 60.61 Favored 'General case' 0 C--N 1.362 1.148 0 C-N-CA 127.327 2.251 . . . . 2.35 112.434 176.127 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.0 pt -103.86 -21.49 5.25 Favored 'Isoleucine or valine' 0 C--N 1.366 1.311 0 C-N-CA 123.861 0.864 . . . . 1.07 112.27 -173.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 8.5 tpp180 83.69 68.72 0.02 OUTLIER 'General case' 0 C--N 1.371 1.505 0 C-N-CA 129.082 2.953 . . . . 3.61 113.812 175.225 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 77.2 mt -139.83 -172.52 3.41 Favored 'General case' 0 C--N 1.36 1.044 0 N-CA-C 107.844 -1.169 . . . . 1.12 107.844 171.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 66.8 p -94.6 149.54 36.66 Favored Pre-proline 0 C--N 1.371 1.515 0 C-N-CA 127.59 2.356 . . . . 1.36 108.712 179.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_exo -58.16 -24.63 67.69 Favored 'Trans proline' 0 C--N 1.362 1.252 1 C-N-CA 126.45 4.767 . . . . 1.0 117.123 171.099 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.3 t -89.06 -28.44 20.13 Favored 'General case' 0 C--N 1.365 1.255 0 C-N-CA 125.024 1.33 . . . . 1.13 111.546 -174.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -82.55 -31.62 29.02 Favored 'General case' 0 C--N 1.371 1.533 0 C-N-CA 124.274 1.03 . . . . 1.04 112.438 178.191 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 10.7 p -69.22 -43.12 81.65 Favored 'Isoleucine or valine' 0 C--N 1.378 1.834 0 C-N-CA 125.128 1.371 . . . . 1.07 113.295 171.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.58 -46.32 89.27 Favored 'General case' 0 C--N 1.374 1.673 0 C-N-CA 126.848 2.059 . . . . 1.54 115.078 175.668 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.287 8.2 mt -84.41 -6.46 10.31 Favored 'Isoleucine or valine' 0 C--N 1.369 1.421 0 N-CA-C 114.407 1.262 . . . . 1.32 114.407 176.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 31.9 t90 -71.77 -43.09 66.33 Favored 'General case' 0 C--N 1.381 1.937 0 CA-C-N 120.335 1.425 . . . . 0.28 111.421 165.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -79.32 -16.07 56.92 Favored 'General case' 0 C--N 1.372 1.553 0 C-N-CA 125.276 1.431 . . . . 0.46 113.648 178.362 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -76.27 -38.81 55.7 Favored 'General case' 0 C--N 1.363 1.161 0 C-N-CA 127.215 2.206 . . . . 1.34 112.865 170.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 55.0 m-20 -87.65 -19.79 27.23 Favored 'General case' 0 C--N 1.365 1.28 0 C-N-CA 126.262 1.825 . . . . 0.56 113.001 -173.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 8.5 m80 -80.23 -27.05 38.82 Favored 'General case' 0 C--N 1.365 1.265 0 C-N-CA 126.554 1.942 . . . . 2.39 114.672 178.283 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 2.8 ptm180 -86.62 50.57 2.03 Favored 'General case' 0 C--N 1.366 1.298 0 C-N-CA 127.577 2.351 . . . . 3.79 113.531 171.122 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -145.08 49.34 1.27 Allowed 'General case' 0 C--N 1.375 1.697 0 CA-C-N 120.686 1.584 . . . . 6.38 111.524 -166.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . 0.263 9.3 ptmm? 57.37 46.9 17.51 Favored 'General case' 0 N--CA 1.497 1.877 0 C-N-CA 127.431 2.293 . . . . 5.9 114.431 171.146 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 5.5 m -85.63 -19.95 30.21 Favored 'General case' 0 C--N 1.366 1.283 0 N-CA-C 117.619 2.452 . . . . 3.68 117.619 -138.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -86.22 53.35 2.77 Favored 'General case' 0 C--N 1.367 1.333 0 C-N-CA 126.188 1.795 . . . . 8.17 113.904 -175.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 24.7 ptt-85 -177.28 171.81 1.97 Allowed 'General case' 0 C--N 1.357 0.933 0 N-CA-C 102.945 -2.983 . . . . 11.25 102.945 174.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -89.62 16.82 7.17 Favored 'General case' 0 C--N 1.369 1.437 0 C-N-CA 124.788 1.235 . . . . 9.1 113.444 179.292 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -94.98 83.8 4.02 Favored 'General case' 0 C--N 1.362 1.119 0 C-N-CA 125.785 1.634 . . . . 9.58 107.035 163.136 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -140.09 66.97 1.38 Allowed 'General case' 0 N--CA 1.444 -0.729 0 N-CA-C 102.541 -3.133 . . . . 12.3 102.541 -178.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.487 ' H ' ' CD ' ' A' ' 70' ' ' GLU 0.406 0.8 OUTLIER -49.6 -60.36 2.94 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 121.143 3.756 . . . . 12.57 121.143 -172.753 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 37.2 mtmm -118.59 122.76 43.38 Favored 'General case' 0 C--N 1.377 1.775 0 CA-C-N 123.456 2.844 . . . . 16.33 106.65 177.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 86.54 70.95 1.3 Allowed Glycine 0 C--N 1.36 1.876 0 C-N-CA 126.518 2.009 . . . . 15.41 111.796 -179.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -135.21 111.49 9.71 Favored 'General case' 0 N--CA 1.421 -1.887 0 C-N-CA 127.083 2.153 . . . . 13.81 107.281 176.637 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -112.6 69.39 0.69 Allowed 'General case' 0 N--CA 1.444 -0.77 0 C-N-CA 131.252 3.821 . . . . 14.6 108.211 178.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 102.89 -99.91 1.87 Allowed Glycine 0 C--N 1.361 1.936 0 C-N-CA 126.197 1.855 . . . . 15.93 108.657 -177.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 61.5 t-80 -149.33 85.04 5.95 Favored Pre-proline 0 C--N 1.357 0.928 0 N-CA-C 104.554 -2.387 . . . . 18.34 104.554 173.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo . . . . . 0 C--O 1.263 1.744 0 C-N-CA 123.473 2.782 . . . . 17.68 108.818 -176.969 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.322 0 CA-C-O 120.531 0.205 . . . . 17.23 110.786 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.7 m -135.09 25.9 3.56 Favored 'General case' 0 C--N 1.36 1.045 0 C-N-CA 125.434 1.494 . . . . 16.87 107.062 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -123.67 71.07 1.08 Allowed 'General case' 0 C--N 1.368 1.398 0 N-CA-C 106.874 -1.528 . . . . 17.01 106.874 -177.137 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.78 -139.79 5.2 Favored Glycine 0 C--N 1.356 1.66 0 N-CA-C 107.246 -2.341 . . . . 15.79 107.246 -178.362 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . 0.263 15.4 mt -118.87 -56.86 0.04 OUTLIER Pre-proline 0 C--N 1.362 1.14 0 CA-C-O 115.903 -1.998 . . . . 16.2 111.276 179.751 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -90.95 80.9 0.43 Allowed 'Trans proline' 0 C--N 1.366 1.472 0 CA-C-N 125.328 2.938 . . . . 14.32 109.892 -170.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 28.4 p30 -91.18 72.13 6.26 Favored 'General case' 0 C--N 1.366 1.288 0 C-N-CA 126.408 1.883 . . . . 15.54 111.445 -176.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.0 pttm -164.24 -54.87 0.03 OUTLIER 'General case' 0 CA--C 1.501 -0.922 0 N-CA-C 105.901 -1.889 . . . . 17.23 105.901 177.426 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -142.66 106.32 4.66 Favored 'General case' 0 C--N 1.359 0.992 0 N-CA-C 104.943 -2.243 . . . . 14.38 104.943 -179.013 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.543 ' HB2' ' H ' ' A' ' 12' ' ' ARG . 13.7 ptp180 -132.7 146.09 51.57 Favored 'General case' 0 C--N 1.359 0.986 0 N-CA-C 105.084 -2.191 . . . . 13.85 105.084 177.594 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . 0.383 75.8 mmtt 104.24 -57.79 0.0 OUTLIER 'General case' 0 C--N 1.373 1.6 1 C-N-CA 137.026 6.13 . . . . 13.21 108.898 6.833 . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.543 ' H ' ' HB2' ' A' ' 10' ' ' ARG . 36.5 ttm-85 -71.83 -52.31 18.13 Favored 'General case' 0 N--CA 1.428 -1.532 0 N-CA-C 119.343 3.09 . . . . 10.61 119.343 -176.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 48.9 mmm-85 -104.55 -163.34 0.96 Allowed 'General case' 0 C--N 1.375 1.717 1 C-N-CA 133.936 4.895 . . . . 8.2 106.656 12.067 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 30.8 m -68.63 136.77 25.74 Favored 'Isoleucine or valine' 0 C--N 1.353 0.731 0 C-N-CA 128.593 2.757 . . . . 4.36 112.755 169.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 17.9 mt -117.77 92.49 3.85 Favored 'General case' 0 C--N 1.356 0.889 0 C-N-CA 124.985 1.314 . . . . 5.24 108.696 177.379 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 8.9 m-30 -105.16 151.85 23.54 Favored 'General case' 0 C--N 1.367 1.339 0 C-N-CA 128.684 2.794 . . . . 1.53 107.103 175.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.7 m -112.52 -168.51 1.33 Allowed 'General case' 0 C--N 1.362 1.11 0 C-N-CA 126.681 1.992 . . . . 1.31 107.633 172.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 65.2 mttt -85.08 4.89 31.96 Favored 'General case' 0 C--N 1.367 1.343 0 C-N-CA 127.278 2.231 . . . . 3.73 113.875 -172.363 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -83.92 -37.51 22.25 Favored 'General case' 0 C--N 1.363 1.192 0 C-N-CA 126.689 1.996 . . . . 1.13 112.526 165.024 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 45.7 mm-40 -77.21 -51.9 10.15 Favored 'General case' 0 C--N 1.368 1.371 0 C-N-CA 129.033 2.933 . . . . 0.86 111.792 -170.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 72.5 p -65.11 -38.32 90.32 Favored 'General case' 0 C--N 1.371 1.528 0 C-N-CA 127.506 2.322 . . . . 1.12 113.093 178.081 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 48.9 t80 -58.73 -57.3 13.63 Favored 'General case' 0 C--N 1.37 1.488 0 C-N-CA 129.013 2.925 . . . . 1.22 112.815 177.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -67.46 -36.74 81.76 Favored 'General case' 0 C--N 1.367 1.348 0 C-N-CA 126.598 1.959 . . . . 1.06 115.169 -175.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 98.5 mt -66.93 -37.46 84.36 Favored 'General case' 0 C--N 1.364 1.239 0 C-N-CA 126.369 1.868 . . . . 1.05 115.664 176.355 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -76.51 -28.58 56.45 Favored 'General case' 0 C--N 1.361 1.097 0 C-N-CA 126.488 1.915 . . . . 1.66 114.516 176.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 11.0 mtm180 -69.6 -45.05 69.48 Favored 'General case' 0 C--N 1.377 1.77 0 C-N-CA 124.638 1.175 . . . . 2.54 112.442 176.495 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.296 43.4 mmm-85 -70.39 -30.16 66.99 Favored 'General case' 0 C--N 1.38 1.926 0 CA-C-N 115.448 -0.796 . . . . 1.89 112.063 -179.35 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 34.8 t80 -68.68 -35.53 77.34 Favored 'General case' 0 C--N 1.375 1.674 0 C-N-CA 127.879 2.472 . . . . 0.83 113.82 -178.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 11.4 mmm-85 -76.09 -23.05 54.94 Favored 'General case' 0 C--N 1.365 1.279 0 C-N-CA 125.387 1.475 . . . . 4.57 114.961 177.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -93.62 -27.18 16.73 Favored 'General case' 0 N--CA 1.434 -1.268 0 C-N-CA 128.383 2.673 . . . . 2.53 112.443 179.072 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -171.25 152.7 3.44 Favored 'General case' 0 C--N 1.367 1.349 0 N-CA-C 106.61 -1.626 . . . . 2.04 106.61 -168.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 90.3 mtt-85 -105.06 -34.07 8.09 Favored 'General case' 0 C--N 1.36 1.046 0 C-N-CA 124.6 1.16 . . . . 4.25 110.206 -179.243 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -113.99 137.1 52.15 Favored 'General case' 0 C--N 1.358 0.936 0 C-N-CA 126.189 1.796 . . . . 5.9 108.443 178.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -146.98 120.98 9.37 Favored 'General case' 0 CA--C 1.5 -0.944 0 N-CA-C 102.656 -3.09 . . . . 1.23 102.656 -175.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 28.4 p -92.4 166.4 12.58 Favored 'General case' 0 C--N 1.365 1.262 0 C-N-CA 127.278 2.231 . . . . 2.04 109.647 -170.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -46.78 -35.6 5.5 Favored Pre-proline 0 C--N 1.366 1.309 0 N-CA-C 120.761 3.615 . . . . 1.23 120.761 -171.035 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_exo -67.25 -31.46 35.57 Favored 'Trans proline' 0 C--N 1.36 1.154 0 C-N-CA 124.337 3.358 . . . . 1.03 115.186 173.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -103.49 -20.04 14.18 Favored 'General case' 0 C--N 1.362 1.137 0 C-N-CA 126.395 1.878 . . . . 1.7 114.798 177.027 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 43.0 ttp180 -81.0 -42.54 20.99 Favored 'General case' 0 C--N 1.373 1.59 0 C-N-CA 126.452 1.901 . . . . 3.04 111.711 -179.014 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -80.23 -21.21 43.09 Favored 'General case' 0 C--N 1.369 1.42 0 C-N-CA 126.78 2.032 . . . . 1.74 112.065 -178.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 44.7 t-80 -80.85 -28.01 36.24 Favored 'General case' 0 C--N 1.367 1.367 0 C-N-CA 127.935 2.494 . . . . 2.01 111.636 175.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -74.68 -30.44 61.58 Favored 'General case' 0 C--N 1.37 1.457 0 C-N-CA 128.258 2.623 . . . . 1.19 112.321 172.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -80.55 -27.52 37.53 Favored 'General case' 0 C--N 1.365 1.267 0 C-N-CA 127.871 2.468 . . . . 1.07 113.064 176.116 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 70.7 m -85.14 -26.01 27.11 Favored 'General case' 0 C--N 1.361 1.071 0 C-N-CA 126.235 1.814 . . . . 1.03 113.208 174.166 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -75.37 -39.33 59.35 Favored 'General case' 0 C--N 1.362 1.136 0 C-N-CA 127.699 2.4 . . . . 2.35 111.98 176.486 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.6 pt -103.06 -20.11 5.83 Favored 'Isoleucine or valine' 0 C--N 1.365 1.268 0 C-N-CA 123.666 0.787 . . . . 1.07 112.339 -173.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 8.2 tpp180 84.66 68.5 0.01 OUTLIER 'General case' 0 C--N 1.371 1.542 0 C-N-CA 129.136 2.975 . . . . 3.61 113.82 174.203 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 84.1 mt -138.16 -171.47 3.04 Favored 'General case' 0 C--N 1.36 1.028 0 N-CA-C 108.56 -0.904 . . . . 1.12 108.56 173.017 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 69.5 p -95.57 146.5 31.42 Favored Pre-proline 0 C--N 1.369 1.452 0 C-N-CA 127.58 2.352 . . . . 1.36 108.72 177.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_exo -59.01 -21.16 57.22 Favored 'Trans proline' 0 C--N 1.364 1.377 1 C-N-CA 126.476 4.784 . . . . 1.0 117.158 171.43 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.8 t -86.55 -31.02 21.47 Favored 'General case' 0 C--N 1.365 1.276 0 C-N-CA 126.407 1.883 . . . . 1.13 111.094 -176.564 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -84.47 -31.13 24.71 Favored 'General case' 0 C--N 1.369 1.436 0 CA-C-N 119.63 1.104 . . . . 1.04 112.906 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.6 p -68.62 -38.41 79.0 Favored 'Isoleucine or valine' 0 C--N 1.379 1.867 0 C-N-CA 124.653 1.181 . . . . 1.07 112.181 169.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.3 mmmt -55.92 -46.72 78.37 Favored 'General case' 0 C--N 1.371 1.525 0 N-CA-C 116.5 2.037 . . . . 1.54 116.5 170.376 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.252 3.2 mt -85.69 -9.05 11.26 Favored 'Isoleucine or valine' 0 C--N 1.371 1.507 0 N-CA-C 115.264 1.579 . . . . 1.32 115.264 178.572 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 30.1 t90 -74.85 -41.28 60.15 Favored 'General case' 0 C--N 1.378 1.843 0 CA-C-N 120.134 1.333 . . . . 0.28 110.691 169.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -85.23 -17.24 37.64 Favored 'General case' 0 C--N 1.366 1.3 0 C-N-CA 126.272 1.829 . . . . 0.46 114.316 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -85.08 -25.83 27.34 Favored 'General case' 0 C--N 1.364 1.209 0 C-N-CA 125.388 1.475 . . . . 1.34 112.102 177.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 48.4 m-20 -87.24 -41.3 13.81 Favored 'General case' 0 C--N 1.368 1.411 0 C-N-CA 125.647 1.579 . . . . 0.56 113.674 177.122 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -66.65 -27.96 68.09 Favored 'General case' 0 C--N 1.363 1.188 0 N-CA-C 118.116 2.635 . . . . 2.39 118.116 -170.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 5.7 ptm180 -85.71 61.2 6.7 Favored 'General case' 0 C--N 1.361 1.091 0 C-N-CA 128.027 2.531 . . . . 3.79 112.109 -176.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . 2.465 0.0 OUTLIER -176.33 -51.02 0.01 OUTLIER 'General case' 0 C--N 1.372 1.561 0 O-C-N 120.901 -1.125 . . . . 6.38 113.58 157.534 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.36 65.93 0.97 Allowed 'General case' 0 C--N 1.359 1.011 0 O-C-N 118.993 -2.317 . . . . 5.9 107.15 -176.446 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . 0.285 2.9 p -43.18 95.08 0.01 OUTLIER 'General case' 0 N--CA 1.438 -1.043 1 C-N-CA 138.133 6.573 . . . . 3.68 117.897 -151.38 . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 51.6 mttp -90.5 33.22 0.91 Allowed 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 131.692 3.997 . . . . 8.17 117.206 -164.072 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 6.1 ptp180 -99.73 159.09 15.31 Favored 'General case' 0 C--N 1.366 1.318 0 CA-C-N 120.744 1.611 . . . . 11.25 110.514 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -101.02 4.05 42.04 Favored 'General case' 0 C--N 1.362 1.147 0 C-N-CA 126.331 1.852 . . . . 9.1 112.384 179.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -102.58 45.32 0.97 Allowed 'General case' 0 C--N 1.365 1.266 0 C-N-CA 126.988 2.115 . . . . 9.58 111.527 -178.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 8.9 p-10 -118.43 47.68 1.57 Allowed 'General case' 0 CA--C 1.496 -1.113 0 C-N-CA 129.968 3.307 . . . . 12.3 111.604 -175.127 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -60.07 127.72 33.25 Favored 'General case' 0 C--N 1.366 1.299 0 C-N-CA 126.57 1.948 . . . . 12.57 113.466 145.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.66 150.44 25.15 Favored 'General case' 0 C--N 1.347 0.46 1 C-N-CA 133.874 4.87 . . . . 16.33 112.735 -6.333 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 87.79 61.42 1.52 Allowed Glycine 0 C--N 1.365 2.154 0 C-N-CA 126.859 2.171 . . . . 15.41 113.793 179.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -136.74 116.5 13.07 Favored 'General case' 0 N--CA 1.423 -1.788 0 C-N-CA 127.857 2.463 . . . . 13.81 105.334 177.189 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -103.0 61.46 0.79 Allowed 'General case' 0 N--CA 1.438 -1.029 0 C-N-CA 131.379 3.871 . . . . 14.6 110.988 -171.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 115.53 -97.58 0.8 Allowed Glycine 0 C--N 1.359 1.856 0 C-N-CA 125.773 1.654 . . . . 15.93 109.044 176.363 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 64.2 t-80 -151.08 94.63 3.48 Favored Pre-proline 0 C--N 1.358 0.944 0 N-CA-C 105.404 -2.073 . . . . 18.34 105.404 179.047 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo . . . . . 0 C--O 1.263 1.749 0 C-N-CA 123.602 2.868 . . . . 17.68 111.427 173.771 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.281 0 CA-C-O 120.528 0.204 . . . . 17.23 111.379 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.4 p -160.12 -138.15 0.05 OUTLIER 'General case' 0 C--N 1.362 1.136 0 N-CA-C 105.447 -2.057 . . . . 16.87 105.447 179.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -145.17 113.0 6.36 Favored 'General case' 0 C--N 1.359 0.985 0 N-CA-C 102.52 -3.141 . . . . 17.01 102.52 177.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.95 -115.14 0.66 Allowed Glycine 0 C--N 1.358 1.77 0 N-CA-C 109.738 -1.345 . . . . 15.79 109.738 -171.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . 0.318 22.6 mt -97.07 -48.24 0.23 Allowed Pre-proline 0 C--N 1.369 1.454 0 CA-C-O 115.679 -2.105 . . . . 16.2 114.073 -177.263 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -79.62 127.18 7.07 Favored 'Trans proline' 0 C--N 1.367 1.536 0 CA-C-N 125.784 3.101 . . . . 14.32 110.721 -174.394 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 6.1 p-10 -93.66 125.59 38.36 Favored 'General case' 0 C--N 1.362 1.147 0 C-N-CA 126.462 1.905 . . . . 15.54 112.836 -166.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -164.58 -48.34 0.03 OUTLIER 'General case' 0 C--N 1.356 0.88 0 N-CA-C 105.308 -2.108 . . . . 17.23 105.308 171.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 52.7 pttt -149.92 36.58 0.7 Allowed 'General case' 0 C--N 1.36 1.06 0 C-N-CA 124.321 1.048 . . . . 14.38 108.683 -172.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.8 ppt_? -103.58 130.69 51.04 Favored 'General case' 0 C--N 1.366 1.31 0 C-N-CA 125.135 1.374 . . . . 13.85 109.52 178.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 41.5 pttt -172.18 146.48 1.9 Allowed 'General case' 0 C--N 1.356 0.873 0 N-CA-C 105.926 -1.879 . . . . 13.21 105.926 -173.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.411 ' H ' ' HE ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -72.42 -60.42 2.24 Favored 'General case' 0 C--N 1.368 1.396 0 C-N-CA 129.31 3.044 . . . . 10.61 113.579 178.273 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 17.6 mmm180 -105.13 160.04 15.38 Favored 'General case' 0 C--N 1.364 1.234 0 C-N-CA 126.821 2.048 . . . . 8.2 107.943 168.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.1 m -104.32 146.65 11.43 Favored 'Isoleucine or valine' 0 C--N 1.358 0.938 0 C-N-CA 124.834 1.254 . . . . 4.36 111.962 -157.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -134.49 85.82 2.22 Favored 'General case' 0 C--N 1.361 1.105 0 N-CA-C 106.959 -1.497 . . . . 5.24 106.959 172.054 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.496 ' HB3' ' HB2' ' A' ' 20' ' ' GLN . 20.2 m-85 -105.4 151.36 24.31 Favored 'General case' 0 C--N 1.363 1.17 0 C-N-CA 126.983 2.113 . . . . 1.53 111.297 -175.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 13.8 m -103.19 -172.18 2.07 Favored 'General case' 0 C--N 1.372 1.55 0 C-N-CA 127.237 2.215 . . . . 1.31 109.653 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.8 pttm -75.57 -6.7 51.61 Favored 'General case' 0 C--N 1.369 1.451 0 N-CA-C 117.218 2.303 . . . . 3.73 117.218 -163.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.6 -44.05 13.87 Favored 'General case' 0 C--N 1.362 1.145 0 C-N-CA 125.99 1.716 . . . . 1.13 111.868 167.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.496 ' HB2' ' HB3' ' A' ' 16' ' ' PHE . 46.5 mm-40 -78.56 -38.21 40.86 Favored 'General case' 0 C--N 1.368 1.392 0 C-N-CA 127.723 2.409 . . . . 0.86 111.508 -171.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 70.8 p -74.93 -29.62 61.0 Favored 'General case' 0 C--N 1.371 1.524 0 C-N-CA 127.185 2.194 . . . . 1.12 112.199 178.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 52.6 t80 -65.88 -51.12 61.45 Favored 'General case' 0 C--N 1.37 1.483 0 C-N-CA 128.265 2.626 . . . . 1.22 112.251 176.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -73.24 -34.93 66.13 Favored 'General case' 0 C--N 1.36 1.061 0 N-CA-C 115.408 1.633 . . . . 1.06 115.408 -177.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 93.8 mt -70.5 -41.64 72.37 Favored 'General case' 0 C--N 1.363 1.195 0 C-N-CA 126.028 1.731 . . . . 1.05 114.923 177.432 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -71.19 -31.02 67.13 Favored 'General case' 0 C--N 1.362 1.148 0 C-N-CA 126.032 1.733 . . . . 1.66 115.259 173.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.1 ptm180 -80.07 -24.7 40.45 Favored 'General case' 0 C--N 1.37 1.488 0 N-CA-C 115.128 1.529 . . . . 2.54 115.128 -179.156 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.275 36.3 mmm-85 -75.6 -31.71 60.03 Favored 'General case' 0 C--N 1.371 1.524 0 C-N-CA 123.6 0.76 . . . . 1.89 112.07 163.706 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -68.84 -35.14 76.59 Favored 'General case' 0 C--N 1.375 1.682 0 C-N-CA 127.04 2.136 . . . . 0.83 113.736 -173.166 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 31.8 mmt-85 -83.68 -14.94 50.59 Favored 'General case' 0 C--N 1.363 1.192 0 N-CA-C 113.854 1.057 . . . . 4.57 113.854 179.143 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 64.2 tp60 -92.61 -27.2 17.48 Favored 'General case' 0 C--N 1.367 1.342 0 C-N-CA 127.686 2.394 . . . . 2.53 112.292 174.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -171.1 151.65 3.28 Favored 'General case' 0 C--N 1.367 1.328 0 N-CA-C 105.425 -2.065 . . . . 2.04 105.425 -170.113 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.7 mmt85 -105.09 -33.02 8.43 Favored 'General case' 0 C--N 1.359 0.983 0 O-C-N 120.903 -1.123 . . . . 4.25 108.938 -177.261 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 37.7 p90 -114.34 141.28 47.82 Favored 'General case' 0 C--N 1.356 0.869 0 C-N-CA 126.765 2.026 . . . . 5.9 107.912 179.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -151.25 121.64 7.33 Favored 'General case' 0 CA--C 1.499 -1.017 0 N-CA-C 102.735 -3.061 . . . . 1.23 102.735 -173.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 28.3 p -89.43 168.37 12.26 Favored 'General case' 0 C--N 1.366 1.304 0 C-N-CA 127.393 2.277 . . . . 2.04 109.771 -170.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.28 -35.54 15.58 Favored Pre-proline 0 C--N 1.366 1.316 0 N-CA-C 120.255 3.428 . . . . 1.23 120.255 -172.243 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -67.82 -29.3 35.4 Favored 'Trans proline' 0 C--N 1.36 1.157 0 C-N-CA 124.238 3.292 . . . . 1.03 115.171 173.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -102.03 -22.09 14.34 Favored 'General case' 0 C--N 1.362 1.137 0 C-N-CA 126.771 2.028 . . . . 1.7 114.587 177.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 36.0 ttm180 -79.19 -42.44 26.06 Favored 'General case' 0 C--N 1.373 1.603 0 C-N-CA 127.139 2.176 . . . . 3.04 111.446 -178.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -80.32 -21.34 42.65 Favored 'General case' 0 C--N 1.368 1.403 0 C-N-CA 127.012 2.125 . . . . 1.74 112.188 -178.025 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 47.5 t-80 -81.05 -27.8 35.61 Favored 'General case' 0 C--N 1.366 1.303 0 C-N-CA 128.076 2.55 . . . . 2.01 111.536 176.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -74.55 -33.14 62.66 Favored 'General case' 0 C--N 1.367 1.358 0 C-N-CA 128.306 2.642 . . . . 1.19 112.408 172.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -80.01 -26.78 39.7 Favored 'General case' 0 C--N 1.365 1.268 0 C-N-CA 128.052 2.541 . . . . 1.07 113.226 178.014 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 69.5 m -85.13 -26.91 26.57 Favored 'General case' 0 C--N 1.361 1.067 0 C-N-CA 126.011 1.724 . . . . 1.03 112.956 174.011 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 48.8 tp -74.38 -38.4 63.16 Favored 'General case' 0 C--N 1.363 1.169 0 C-N-CA 127.6 2.36 . . . . 2.35 112.702 176.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.0 pt -105.13 -18.11 7.11 Favored 'Isoleucine or valine' 0 C--N 1.366 1.288 0 C-N-CA 123.886 0.874 . . . . 1.07 112.445 -174.234 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 24.0 tpt180 85.0 67.87 0.01 OUTLIER 'General case' 0 C--N 1.37 1.482 0 C-N-CA 129.008 2.923 . . . . 3.61 114.167 173.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 84.1 mt -137.86 -172.31 3.22 Favored 'General case' 0 C--N 1.36 1.033 0 C-N-CA 123.817 0.847 . . . . 1.12 108.82 173.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.436 HG22 ' H ' ' A' ' 51' ' ' THR . 71.4 p -94.72 146.87 32.2 Favored Pre-proline 0 C--N 1.368 1.403 0 C-N-CA 127.164 2.186 . . . . 1.36 109.219 176.581 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_exo -57.92 -23.54 60.17 Favored 'Trans proline' 0 C--N 1.364 1.358 1 C-N-CA 126.829 5.019 . . . . 1.0 117.332 170.431 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.436 ' H ' HG22 ' A' ' 49' ' ' THR . 14.2 t -85.63 -33.14 21.7 Favored 'General case' 0 C--N 1.364 1.235 0 C-N-CA 126.58 1.952 . . . . 1.13 110.837 -175.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -81.81 -31.33 31.79 Favored 'General case' 0 C--N 1.369 1.421 0 CA-C-N 119.566 1.075 . . . . 1.04 112.781 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.2 p -69.25 -38.68 78.08 Favored 'Isoleucine or valine' 0 C--N 1.381 1.941 0 C-N-CA 124.97 1.308 . . . . 1.07 112.192 171.608 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.0 tppt? -57.32 -44.08 83.9 Favored 'General case' 0 C--N 1.37 1.47 0 C-N-CA 127.993 2.517 . . . . 1.54 114.567 171.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.279 1.9 mt -86.46 -8.55 11.1 Favored 'Isoleucine or valine' 0 C--N 1.369 1.437 0 N-CA-C 115.732 1.753 . . . . 1.32 115.732 177.68 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 38.4 t90 -74.5 -41.68 60.27 Favored 'General case' 0 C--N 1.378 1.823 0 CA-C-N 120.0 1.273 . . . . 0.28 110.928 168.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -85.19 -10.0 57.15 Favored 'General case' 0 C--N 1.365 1.276 0 C-N-CA 126.731 2.012 . . . . 0.46 113.69 178.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -77.66 -41.38 38.47 Favored 'General case' 0 C--N 1.363 1.162 0 C-N-CA 125.899 1.679 . . . . 1.34 112.194 171.075 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 -91.21 -22.12 20.78 Favored 'General case' 0 C--N 1.366 1.29 0 C-N-CA 125.48 1.512 . . . . 0.56 114.106 -171.482 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 6.9 m80 -78.58 -33.88 47.29 Favored 'General case' 0 C--N 1.364 1.226 0 N-CA-C 115.557 1.688 . . . . 2.39 115.557 -177.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -86.62 50.47 2.01 Favored 'General case' 0 C--N 1.362 1.138 0 C-N-CA 126.412 1.885 . . . . 3.79 114.608 177.332 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 53.5 p90 -64.49 -17.94 64.33 Favored 'General case' 0 C--N 1.377 1.797 0 N-CA-C 120.024 3.342 . . . . 6.38 120.024 -178.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.427 ' O ' ' HG2' ' A' ' 63' ' ' LYS 0.372 0.0 OUTLIER 101.42 59.9 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 130.239 3.415 . . . . 5.9 106.193 -158.98 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.54 -24.79 15.89 Favored 'General case' 0 C--N 1.361 1.078 0 O-C-N 120.216 -1.552 . . . . 3.68 113.978 -147.343 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 49.9 mmtm -89.94 66.26 6.84 Favored 'General case' 0 C--N 1.37 1.463 0 C-N-CA 127.577 2.351 . . . . 8.17 110.638 -176.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.401 ' H ' ' H ' ' A' ' 67' ' ' ALA . 5.7 ppt_? -150.74 -35.87 0.15 Allowed 'General case' 0 N--CA 1.442 -0.84 0 C-N-CA 127.607 2.363 . . . . 11.25 105.218 173.492 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.401 ' H ' ' H ' ' A' ' 66' ' ' ARG . . . -100.9 -27.15 13.47 Favored 'General case' 0 C--N 1.366 1.319 0 C-N-CA 126.977 2.111 . . . . 9.1 110.888 176.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -105.02 39.45 1.71 Allowed 'General case' 0 C--N 1.371 1.52 0 C-N-CA 127.046 2.138 . . . . 9.58 110.393 170.327 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -148.08 65.47 1.09 Allowed 'General case' 0 N--CA 1.44 -0.954 0 N-CA-C 104.004 -2.591 . . . . 12.3 104.004 176.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . 0.351 1.5 pp20? -49.69 -69.84 0.1 Allowed 'General case' 0 C--N 1.365 1.242 0 C-N-CA 129.178 2.991 . . . . 12.57 118.682 -173.045 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 37.0 mtmm -93.54 -175.96 3.94 Favored 'General case' 0 C--N 1.371 1.522 0 C-N-CA 127.328 2.251 . . . . 16.33 107.605 160.178 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -88.22 40.76 3.06 Favored Glycine 0 C--N 1.359 1.844 0 C-N-CA 130.348 3.832 . . . . 15.41 112.302 -169.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 15.1 t80 -71.01 -52.57 18.83 Favored 'General case' 0 C--N 1.351 0.639 1 C-N-CA 132.814 4.445 . . . . 13.81 114.757 -174.174 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -124.94 45.54 2.53 Favored 'General case' 0 N--CA 1.442 -0.849 0 C-N-CA 127.747 2.419 . . . . 14.6 108.542 -176.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 129.52 -109.65 0.98 Allowed Glycine 0 C--N 1.359 1.835 0 N-CA-C 108.081 -2.007 . . . . 15.93 108.081 177.003 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 56.6 t-80 -156.74 150.81 19.65 Favored Pre-proline 0 C--N 1.358 0.957 0 N-CA-C 104.956 -2.238 . . . . 18.34 104.956 -177.006 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_exo . . . . . 0 C--O 1.26 1.624 0 C-N-CA 123.717 2.945 . . . . 17.68 110.527 173.665 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.425 0 N-CA-C 112.01 0.374 . . . . 17.23 112.01 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.8 m -136.98 -47.72 0.6 Allowed 'General case' 0 C--N 1.361 1.108 0 N-CA-C 105.734 -1.95 . . . . 16.87 105.734 176.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -139.24 93.54 2.7 Favored 'General case' 0 C--N 1.358 0.963 0 N-CA-C 103.057 -2.942 . . . . 17.01 103.057 172.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.96 -136.03 2.63 Favored Glycine 0 C--N 1.354 1.577 0 N-CA-C 107.652 -2.179 . . . . 15.79 107.652 -174.096 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 22.6 mt -122.93 161.21 45.68 Favored Pre-proline 0 C--N 1.366 1.286 0 N-CA-C 106.261 -1.755 . . . . 16.2 106.261 179.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -81.46 120.88 3.68 Favored 'Trans proline' 0 C--N 1.367 1.549 0 CA-C-N 124.757 2.735 . . . . 14.32 111.0 -178.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 7.1 p-10 -113.74 24.64 11.93 Favored 'General case' 0 C--N 1.362 1.127 0 C-N-CA 125.559 1.544 . . . . 15.54 112.7 -170.092 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.415 ' H ' ' H ' ' A' ' 9' ' ' LYS . 21.3 pttp -166.25 0.69 0.03 OUTLIER 'General case' 0 C--N 1.359 0.987 0 C-N-CA 125.383 1.473 . . . . 17.23 107.61 171.129 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.415 ' H ' ' H ' ' A' ' 8' ' ' LYS . 60.2 mttp 82.9 2.78 1.07 Allowed 'General case' 0 C--N 1.372 1.552 0 C-N-CA 129.555 3.142 . . . . 14.38 113.662 176.239 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 54.2 ttp85 -131.95 17.64 4.63 Favored 'General case' 0 C--N 1.359 1.011 0 C-N-CA 124.132 0.973 . . . . 13.85 110.097 -160.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.0 pttt -161.35 147.02 14.04 Favored 'General case' 0 C--N 1.359 0.993 0 N-CA-C 107.015 -1.476 . . . . 13.21 107.015 173.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.5 tpm_? -101.75 -34.83 9.29 Favored 'General case' 0 N--CA 1.414 -2.251 1 C-N-CA 132.678 4.391 . . . . 10.61 109.881 -3.071 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . 2.37 0.0 OUTLIER -44.89 -11.38 0.01 OUTLIER 'General case' 0 C--N 1.376 1.758 2 C-N-CA 135.864 5.666 . . . . 8.2 122.186 -174.568 . . . . . . . . 4 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.2 m -122.44 128.48 75.42 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.234 1 C-N-CA 131.941 4.096 . . . . 4.36 108.582 -173.014 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.0 mt -138.72 125.36 20.76 Favored 'General case' 0 N--CA 1.447 -0.605 0 N-CA-C 104.529 -2.397 . . . . 5.24 104.529 -179.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 12.1 m-30 -88.17 149.08 24.08 Favored 'General case' 0 C--N 1.367 1.326 0 C-N-CA 127.966 2.507 . . . . 1.53 110.824 -174.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 26.6 m -106.19 -174.93 2.65 Favored 'General case' 0 C--N 1.366 1.316 0 C-N-CA 126.988 2.115 . . . . 1.31 108.78 179.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 69.4 mttt -85.02 12.25 7.99 Favored 'General case' 0 C--N 1.372 1.563 0 C-N-CA 126.869 2.068 . . . . 3.73 114.445 -172.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.41 -48.81 8.65 Favored 'General case' 0 C--N 1.361 1.099 0 C-N-CA 126.774 2.029 . . . . 1.13 111.664 157.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 53.4 mm-40 -73.45 -45.66 52.98 Favored 'General case' 0 C--N 1.37 1.475 0 C-N-CA 128.802 2.841 . . . . 0.86 112.903 -173.256 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 58.5 p -73.31 -28.14 61.92 Favored 'General case' 0 C--N 1.367 1.359 0 C-N-CA 127.489 2.315 . . . . 1.12 112.13 179.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 34.1 t80 -66.33 -50.21 64.38 Favored 'General case' 0 C--N 1.37 1.473 0 C-N-CA 127.563 2.345 . . . . 1.22 112.522 176.192 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -74.2 -34.19 63.64 Favored 'General case' 0 C--N 1.363 1.178 0 N-CA-C 115.469 1.655 . . . . 1.06 115.469 -177.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 92.4 mt -70.17 -43.56 70.59 Favored 'General case' 0 C--N 1.364 1.209 0 C-N-CA 126.034 1.733 . . . . 1.05 114.726 177.434 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -69.31 -33.98 73.98 Favored 'General case' 0 C--N 1.363 1.179 0 C-N-CA 126.506 1.922 . . . . 1.66 114.421 174.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.5 ptm180 -80.31 -27.38 38.46 Favored 'General case' 0 C--N 1.373 1.606 0 N-CA-C 115.837 1.791 . . . . 2.54 115.837 -177.277 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.284 36.6 mmm-85 -74.67 -31.51 61.94 Favored 'General case' 0 C--N 1.371 1.53 0 C-N-CA 123.929 0.892 . . . . 1.89 111.747 167.615 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -68.12 -39.98 82.62 Favored 'General case' 0 C--N 1.378 1.808 0 C-N-CA 126.865 2.066 . . . . 0.83 113.671 -175.421 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.8 mmm-85 -71.9 -20.86 61.72 Favored 'General case' 0 C--N 1.366 1.306 0 C-N-CA 126.079 1.752 . . . . 4.57 115.26 178.024 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 85.4 mm-40 -98.07 -33.43 11.17 Favored 'General case' 0 C--N 1.359 1.022 0 C-N-CA 126.018 1.727 . . . . 2.53 112.917 177.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -162.53 150.39 14.07 Favored 'General case' 0 C--N 1.368 1.396 0 CA-C-N 120.345 1.43 . . . . 2.04 108.636 -172.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 72.2 mmt-85 -105.36 -34.42 7.85 Favored 'General case' 0 C--N 1.36 1.035 0 C-N-CA 126.187 1.795 . . . . 4.25 112.356 -175.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -86.3 -16.91 36.04 Favored 'General case' 0 C--N 1.359 1.02 0 C-N-CA 129.18 2.992 . . . . 5.9 116.005 -150.37 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . 0.359 0.0 OUTLIER -33.67 109.1 0.07 Allowed 'General case' 0 N--CA 1.496 1.849 1 C-N-CA 133.537 4.735 . . . . 1.23 115.614 -165.839 . . . . . . . . 4 3 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 30.7 p -100.32 170.85 8.15 Favored 'General case' 0 C--N 1.361 1.108 0 C-N-CA 128.515 2.726 . . . . 2.04 108.426 -169.036 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -42.6 -36.9 1.62 Allowed Pre-proline 0 C--N 1.367 1.343 0 N-CA-C 121.496 3.887 . . . . 1.23 121.496 -170.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_exo -66.9 -31.93 37.06 Favored 'Trans proline' 0 C--N 1.359 1.082 0 C-N-CA 124.256 3.304 . . . . 1.03 115.122 174.061 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -103.72 -22.82 13.5 Favored 'General case' 0 C--N 1.36 1.056 0 C-N-CA 126.937 2.095 . . . . 1.7 114.706 178.174 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 44.4 ttp180 -81.88 -38.0 26.02 Favored 'General case' 0 C--N 1.373 1.609 0 C-N-CA 126.681 1.992 . . . . 3.04 111.927 -178.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -81.59 -20.76 39.14 Favored 'General case' 0 C--N 1.37 1.466 0 C-N-CA 126.087 1.755 . . . . 1.74 112.172 179.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 48.0 t-80 -79.24 -28.28 42.45 Favored 'General case' 0 C--N 1.367 1.351 0 C-N-CA 128.213 2.605 . . . . 2.01 111.552 174.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -72.57 -36.13 68.11 Favored 'General case' 0 C--N 1.368 1.401 0 C-N-CA 128.719 2.807 . . . . 1.19 112.313 173.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.59 -28.88 41.05 Favored 'General case' 0 C--N 1.363 1.189 0 C-N-CA 128.226 2.611 . . . . 1.07 113.504 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 67.7 m -85.19 -26.71 26.61 Favored 'General case' 0 C--N 1.362 1.125 0 C-N-CA 126.179 1.791 . . . . 1.03 113.137 176.081 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -74.99 -39.13 61.41 Favored 'General case' 0 C--N 1.363 1.163 0 C-N-CA 127.357 2.263 . . . . 2.35 112.097 175.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.9 pt -101.06 -19.61 5.87 Favored 'Isoleucine or valine' 0 C--N 1.366 1.29 0 C-N-CA 123.832 0.853 . . . . 1.07 113.236 -174.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 11.0 tpp180 83.89 62.95 0.01 OUTLIER 'General case' 0 C--N 1.369 1.455 0 C-N-CA 128.945 2.898 . . . . 3.61 113.775 174.095 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 70.5 mt -137.32 -173.81 3.57 Favored 'General case' 0 C--N 1.36 1.057 0 N-CA-C 107.833 -1.173 . . . . 1.12 107.833 173.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 57.8 p -93.2 145.98 31.06 Favored Pre-proline 0 C--N 1.368 1.381 0 C-N-CA 127.327 2.251 . . . . 1.36 109.176 -177.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_exo -58.39 -22.66 59.58 Favored 'Trans proline' 0 C--N 1.363 1.328 1 C-N-CA 126.626 4.884 . . . . 1.0 117.237 170.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.9 t -87.9 -29.3 20.97 Favored 'General case' 0 C--N 1.364 1.239 0 C-N-CA 126.34 1.856 . . . . 1.13 111.165 -176.047 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -83.29 -34.09 25.81 Favored 'General case' 0 C--N 1.37 1.486 0 CA-C-N 119.488 1.04 . . . . 1.04 112.516 179.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.5 p -67.48 -39.8 83.23 Favored 'Isoleucine or valine' 0 C--N 1.379 1.859 0 C-N-CA 125.302 1.441 . . . . 1.07 112.584 169.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.07 -49.14 66.99 Favored 'General case' 0 C--N 1.371 1.534 0 C-N-CA 127.167 2.187 . . . . 1.54 115.747 170.369 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.277 4.8 mt -85.68 -7.41 10.91 Favored 'Isoleucine or valine' 0 C--N 1.367 1.343 0 N-CA-C 115.217 1.562 . . . . 1.32 115.217 179.125 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 34.1 t90 -74.66 -42.17 58.98 Favored 'General case' 0 C--N 1.379 1.857 0 C-N-CA 125.018 1.327 . . . . 0.28 111.412 169.384 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -84.28 -14.89 48.58 Favored 'General case' 0 C--N 1.367 1.363 0 C-N-CA 126.122 1.769 . . . . 0.46 113.319 179.44 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -75.59 -40.52 56.45 Favored 'General case' 0 C--N 1.365 1.263 0 C-N-CA 127.418 2.287 . . . . 1.34 112.954 174.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 70.3 m-20 -89.76 -26.73 20.46 Favored 'General case' 0 C--N 1.366 1.314 0 C-N-CA 125.872 1.669 . . . . 0.56 113.48 -175.202 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 8.5 m80 -77.39 -16.74 58.69 Favored 'General case' 0 C--N 1.364 1.203 0 N-CA-C 116.959 2.207 . . . . 2.39 116.959 -178.269 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -85.39 45.87 1.23 Allowed 'General case' 0 C--N 1.366 1.301 0 C-N-CA 126.786 2.034 . . . . 3.79 115.131 -169.547 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.47 ' HB3' ' H ' ' A' ' 63' ' ' LYS . 1.3 m-85 -103.6 -114.55 0.22 Allowed 'General case' 0 C--N 1.375 1.68 0 O-C-N 120.528 -1.358 . . . . 6.38 107.443 176.668 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.47 ' H ' ' HB3' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -151.02 56.8 0.9 Allowed 'General case' 0 CA--C 1.485 -1.537 0 C-N-CA 129.839 3.255 . . . . 5.9 102.511 174.777 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -106.31 105.64 15.77 Favored 'General case' 0 N--CA 1.411 -2.424 1 C-N-CA 132.315 4.246 . . . . 3.68 101.352 171.003 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -87.17 56.47 4.0 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 129.323 3.049 . . . . 8.17 112.736 173.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 78.5 ttt-85 -103.82 -52.86 2.88 Favored 'General case' 0 C--N 1.361 1.108 0 C-N-CA 126.489 1.916 . . . . 11.25 107.789 175.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -97.2 -12.64 22.77 Favored 'General case' 0 C--N 1.364 1.226 0 C-N-CA 125.592 1.557 . . . . 9.1 112.337 -177.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -103.2 62.88 0.8 Allowed 'General case' 0 C--N 1.365 1.259 0 CA-C-O 124.849 2.261 . . . . 9.58 109.219 166.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -159.38 66.71 0.4 Allowed 'General case' 0 N--CA 1.436 -1.153 0 CA-C-N 109.7 -3.409 . . . . 12.3 106.47 -178.359 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . 0.263 24.4 mt-10 -87.05 90.03 8.21 Favored 'General case' 0 C--N 1.37 1.497 0 C-N-CA 124.807 1.243 . . . . 12.57 111.64 160.598 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.2 mtmp? -166.4 13.08 0.03 OUTLIER 'General case' 0 CA--C 1.504 -0.82 0 C-N-CA 128.028 2.531 . . . . 16.33 111.396 -171.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 142.36 -25.84 2.31 Favored Glycine 0 CA--C 1.505 -0.562 0 C-N-CA 125.565 1.555 . . . . 15.41 115.106 174.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -65.23 -16.65 63.77 Favored 'General case' 0 C--N 1.363 1.171 0 C-N-CA 129.613 3.165 . . . . 13.81 118.024 -170.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -81.53 53.64 2.15 Favored 'General case' 0 C--N 1.356 0.881 0 C-N-CA 129.718 3.207 . . . . 14.6 113.942 -174.206 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 179.09 -130.88 1.6 Allowed Glycine 0 CA--C 1.493 -1.282 1 N-CA-C 102.957 -4.057 . . . . 15.93 102.957 -179.567 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -143.48 84.35 10.14 Favored Pre-proline 0 C--N 1.355 0.811 0 N-CA-C 105.802 -1.925 . . . . 18.34 105.802 172.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo . . . . . 0 C--O 1.261 1.666 0 C-N-CA 123.833 3.022 . . . . 17.68 109.466 -176.202 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.035 0 CA-C-O 120.217 0.055 . . . . 17.23 110.887 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.3 p -104.97 -38.46 6.6 Favored 'General case' 0 C--N 1.366 1.29 0 C-N-CA 126.334 1.853 . . . . 16.87 109.211 -176.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 52.9 m-20 -132.12 62.47 1.64 Allowed 'General case' 0 C--N 1.361 1.081 0 N-CA-C 104.233 -2.506 . . . . 17.01 104.233 173.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.96 -141.91 3.29 Favored Glycine 0 C--N 1.358 1.751 0 N-CA-C 110.389 -1.084 . . . . 15.79 110.389 -172.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.419 HD11 HG23 ' A' ' 21' ' ' THR . 10.2 mt -131.96 162.08 58.76 Favored Pre-proline 0 C--N 1.364 1.211 0 N-CA-C 105.796 -1.927 . . . . 16.2 105.796 -171.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -82.43 143.89 12.56 Favored 'Trans proline' 0 C--N 1.364 1.351 0 CA-C-N 124.786 2.745 . . . . 14.32 113.323 -173.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -138.2 -149.58 0.31 Allowed 'General case' 0 C--N 1.359 1.013 0 N-CA-C 103.021 -2.955 . . . . 15.54 103.021 167.131 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 35.8 mmtp -94.34 111.19 22.92 Favored 'General case' 0 C--N 1.363 1.184 0 C-N-CA 125.567 1.547 . . . . 17.23 109.727 -178.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . 0.262 62.3 mttp 80.71 -105.95 0.02 OUTLIER 'General case' 0 C--N 1.367 1.367 0 C-N-CA 129.271 3.028 . . . . 14.38 111.499 -179.066 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 37.6 ptt180 -156.41 158.24 36.99 Favored 'General case' 0 C--N 1.357 0.895 0 N-CA-C 105.873 -1.899 . . . . 13.85 105.873 178.342 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -154.68 125.41 7.04 Favored 'General case' 0 C--N 1.358 0.936 0 N-CA-C 107.84 -1.171 . . . . 13.21 107.84 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . 2.07 12.5 mmm180 -55.47 -34.73 64.8 Favored 'General case' 0 C--N 1.367 1.359 0 C-N-CA 131.42 3.888 . . . . 10.61 117.755 169.418 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . 1.952 0.6 OUTLIER -42.87 -126.58 0.0 OUTLIER 'General case' 0 C--N 1.364 1.21 2 C-N-CA 133.659 4.784 . . . . 8.2 123.335 -159.452 . . . . . . . . 4 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 60.4 t -96.86 16.44 2.58 Favored 'Isoleucine or valine' 0 C--N 1.365 1.263 0 C-N-CA 131.324 3.85 . . . . 4.36 111.731 -164.103 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -58.92 150.85 23.19 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 131.031 3.732 . . . . 5.24 116.039 -163.341 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -86.51 122.35 30.33 Favored 'General case' 0 C--N 1.353 0.734 0 C-N-CA 128.076 2.55 . . . . 1.53 115.325 -132.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 40.0 m -114.99 -172.39 2.12 Favored 'General case' 0 C--N 1.37 1.47 0 C-N-CA 127.414 2.285 . . . . 1.31 106.294 175.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.1 pttm -73.36 6.44 2.92 Favored 'General case' 0 C--N 1.367 1.345 0 N-CA-C 118.952 2.945 . . . . 3.73 118.952 -157.461 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.25 -51.97 6.23 Favored 'General case' 0 C--N 1.361 1.081 0 C-N-CA 125.865 1.666 . . . . 1.13 111.966 159.072 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -84.47 -39.27 19.12 Favored 'General case' 0 C--N 1.364 1.236 0 C-N-CA 128.276 2.63 . . . . 0.86 111.258 -165.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.419 HG23 HD11 ' A' ' 5' ' ' LEU . 71.7 p -70.21 -34.81 73.36 Favored 'General case' 0 C--N 1.376 1.756 0 C-N-CA 127.531 2.333 . . . . 1.12 111.377 177.24 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 54.0 t80 -64.2 -51.67 62.61 Favored 'General case' 0 C--N 1.37 1.476 0 C-N-CA 129.461 3.104 . . . . 1.22 112.76 179.053 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -72.81 -34.76 67.07 Favored 'General case' 0 C--N 1.362 1.109 0 N-CA-C 115.19 1.552 . . . . 1.06 115.19 -177.432 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 92.2 mt -69.15 -42.32 76.12 Favored 'General case' 0 C--N 1.366 1.309 0 C-N-CA 125.766 1.626 . . . . 1.05 115.072 176.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -71.12 -31.7 68.08 Favored 'General case' 0 C--N 1.362 1.128 0 C-N-CA 126.231 1.812 . . . . 1.66 115.135 174.165 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.6 ptm180 -79.59 -26.51 41.24 Favored 'General case' 0 C--N 1.369 1.442 0 N-CA-C 115.1 1.519 . . . . 2.54 115.1 -177.421 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.264 40.0 mmm-85 -74.12 -32.01 63.01 Favored 'General case' 0 C--N 1.371 1.536 0 C-N-CA 123.43 0.692 . . . . 1.89 112.18 163.393 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -68.37 -27.22 66.05 Favored 'General case' 0 C--N 1.376 1.735 0 C-N-CA 126.589 1.956 . . . . 0.83 114.315 -177.513 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 36.9 mmt-85 -79.74 -27.73 40.52 Favored 'General case' 0 C--N 1.365 1.259 0 C-N-CA 125.309 1.444 . . . . 4.57 113.487 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 65.5 tp60 -93.49 -27.43 16.68 Favored 'General case' 0 N--CA 1.433 -1.298 0 C-N-CA 127.81 2.444 . . . . 2.53 112.541 179.103 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -166.19 152.0 8.78 Favored 'General case' 0 C--N 1.367 1.362 0 N-CA-C 107.732 -1.21 . . . . 2.04 107.732 -167.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 24.0 mmt85 -105.07 -35.28 7.68 Favored 'General case' 0 C--N 1.361 1.079 0 C-N-CA 125.556 1.543 . . . . 4.25 110.277 -178.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 -114.35 137.05 52.31 Favored 'General case' 0 C--N 1.358 0.951 0 C-N-CA 126.537 1.935 . . . . 5.9 107.69 178.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -145.85 120.68 9.93 Favored 'General case' 0 CA--C 1.496 -1.102 0 N-CA-C 101.644 -3.465 . . . . 1.23 101.644 -176.448 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 24.8 p -84.41 164.46 18.88 Favored 'General case' 0 C--N 1.366 1.321 0 C-N-CA 127.18 2.192 . . . . 2.04 110.523 -168.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.63 -36.06 25.58 Favored Pre-proline 0 C--N 1.364 1.206 0 N-CA-C 119.969 3.322 . . . . 1.23 119.969 -170.187 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -68.54 -35.85 16.43 Favored 'Trans proline' 0 C--N 1.361 1.214 0 C-N-CA 124.46 3.44 . . . . 1.03 115.004 173.172 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -93.65 -18.32 22.29 Favored 'General case' 0 C--N 1.366 1.29 0 C-N-CA 126.28 1.832 . . . . 1.7 113.946 179.203 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 32.2 ttm180 -80.38 -40.03 27.32 Favored 'General case' 0 C--N 1.371 1.53 0 C-N-CA 127.127 2.171 . . . . 3.04 110.664 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.84 -17.23 48.13 Favored 'General case' 0 C--N 1.371 1.542 0 C-N-CA 126.634 1.973 . . . . 1.74 112.148 -179.313 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 42.4 t-80 -81.16 -28.99 34.8 Favored 'General case' 0 C--N 1.364 1.208 0 C-N-CA 128.294 2.638 . . . . 2.01 111.611 174.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -73.27 -33.89 65.51 Favored 'General case' 0 C--N 1.368 1.404 0 C-N-CA 128.137 2.575 . . . . 1.19 112.321 172.186 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.47 -24.31 36.86 Favored 'General case' 0 C--N 1.363 1.176 0 C-N-CA 127.764 2.426 . . . . 1.07 113.356 177.425 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.6 t -85.2 -27.69 25.94 Favored 'General case' 0 C--N 1.359 0.985 0 C-N-CA 126.457 1.903 . . . . 1.03 111.981 174.156 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 45.0 tp -74.97 -37.45 61.92 Favored 'General case' 0 C--N 1.361 1.082 0 C-N-CA 127.501 2.32 . . . . 2.35 112.54 176.405 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.9 pt -106.13 -19.18 6.69 Favored 'Isoleucine or valine' 0 C--N 1.367 1.344 0 C-N-CA 123.712 0.805 . . . . 1.07 112.442 -174.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 8.9 tpp180 86.88 68.98 0.01 OUTLIER 'General case' 0 C--N 1.372 1.581 0 C-N-CA 129.3 3.04 . . . . 3.61 114.236 171.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 73.8 mt -136.49 -164.5 1.58 Allowed 'General case' 0 C--N 1.363 1.164 0 C-N-CA 124.803 1.241 . . . . 1.12 109.4 174.342 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 80.6 p -104.72 146.73 33.2 Favored Pre-proline 0 C--N 1.369 1.415 0 C-N-CA 127.94 2.496 . . . . 1.36 108.631 177.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_exo -59.29 -19.73 51.93 Favored 'Trans proline' 0 C--N 1.369 1.605 1 C-N-CA 126.583 4.855 . . . . 1.0 117.119 170.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 14.1 t -87.08 -34.7 19.06 Favored 'General case' 0 C--N 1.365 1.259 0 C-N-CA 126.597 1.959 . . . . 1.13 111.036 -176.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -79.99 -31.52 39.77 Favored 'General case' 0 C--N 1.372 1.579 0 CA-C-N 119.909 1.231 . . . . 1.04 112.445 179.476 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.9 p -68.96 -39.45 79.8 Favored 'Isoleucine or valine' 0 C--N 1.38 1.919 0 C-N-CA 124.645 1.178 . . . . 1.07 112.546 171.257 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.67 -45.13 73.83 Favored 'General case' 0 C--N 1.37 1.468 0 N-CA-C 116.29 1.959 . . . . 1.54 116.29 169.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.254 2.3 mt -87.58 -8.18 10.97 Favored 'Isoleucine or valine' 0 C--N 1.368 1.403 0 N-CA-C 115.319 1.6 . . . . 1.32 115.319 178.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 36.8 t90 -75.78 -41.89 51.73 Favored 'General case' 0 C--N 1.379 1.856 0 CA-C-N 119.86 1.209 . . . . 0.28 110.732 169.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -85.24 -9.23 58.0 Favored 'General case' 0 C--N 1.367 1.347 0 C-N-CA 126.735 2.014 . . . . 0.46 113.386 178.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -75.46 -41.01 56.71 Favored 'General case' 0 C--N 1.363 1.177 0 C-N-CA 125.839 1.656 . . . . 1.34 112.148 168.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -93.21 -19.02 21.84 Favored 'General case' 0 C--N 1.366 1.285 0 C-N-CA 125.368 1.467 . . . . 0.56 114.455 -173.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 11.4 m80 -79.47 -35.18 40.7 Favored 'General case' 0 C--N 1.363 1.167 0 N-CA-C 115.155 1.539 . . . . 2.39 115.155 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.1 ptm180 -86.76 48.72 1.68 Allowed 'General case' 0 C--N 1.362 1.134 0 C-N-CA 127.049 2.139 . . . . 3.79 113.774 171.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -140.23 60.75 1.54 Allowed 'General case' 0 C--N 1.373 1.591 0 CA-C-N 120.442 1.474 . . . . 6.38 110.551 -166.796 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.7 ptmt 55.71 34.91 24.27 Favored 'General case' 0 N--CA 1.497 1.893 0 C-N-CA 127.654 2.382 . . . . 5.9 114.982 173.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.4 m -80.02 -16.44 55.13 Favored 'General case' 0 C--N 1.37 1.488 0 C-N-CA 126.122 1.769 . . . . 3.68 114.492 -145.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -90.34 61.43 5.03 Favored 'General case' 0 C--N 1.368 1.379 0 C-N-CA 128.146 2.578 . . . . 8.17 110.732 179.417 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -146.01 -55.26 0.28 Allowed 'General case' 0 N--CA 1.441 -0.909 0 N-CA-C 103.801 -2.666 . . . . 11.25 103.801 -179.462 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -101.11 96.94 7.55 Favored 'General case' 0 C--N 1.368 1.399 0 C-N-CA 126.077 1.751 . . . . 9.1 108.094 165.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -105.45 39.25 1.78 Allowed 'General case' 0 C--N 1.361 1.067 0 C-N-CA 126.48 1.912 . . . . 9.58 112.213 -171.031 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.445 ' HA ' ' HG3' ' A' ' 71' ' ' LYS . 0.8 OUTLIER -149.39 61.3 1.03 Allowed 'General case' 0 N--CA 1.438 -1.038 0 C-N-CA 127.119 2.168 . . . . 12.3 107.095 177.795 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -104.34 97.01 7.01 Favored 'General case' 0 C--N 1.373 1.599 0 C-N-CA 124.962 1.305 . . . . 12.57 107.709 154.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.445 ' HG3' ' HA ' ' A' ' 69' ' ' ASN . 0.0 OUTLIER -131.48 -171.99 2.74 Favored 'General case' 0 CA--C 1.498 -1.035 0 N-CA-C 119.954 3.316 . . . . 16.33 119.954 -132.623 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.42 ' H ' ' CD ' ' A' ' 71' ' ' LYS . . . 91.23 53.93 2.08 Favored Glycine 0 C--N 1.363 2.075 1 C-N-CA 134.227 5.679 . . . . 15.41 106.547 -168.277 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . 0.291 9.9 t80 -91.8 -36.79 13.33 Favored 'General case' 0 C--N 1.369 1.438 0 N-CA-C 115.927 1.825 . . . . 13.81 115.927 -137.176 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -129.04 51.77 2.01 Favored 'General case' 0 N--CA 1.44 -0.958 0 C-N-CA 127.791 2.436 . . . . 14.6 106.148 169.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -163.94 96.11 0.13 Allowed Glycine 0 C--N 1.358 1.755 0 N-CA-C 105.657 -2.977 . . . . 15.93 105.657 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 74.5 m-70 -123.9 165.64 22.78 Favored Pre-proline 0 C--N 1.36 1.061 0 C-N-CA 125.732 1.613 . . . . 18.34 107.909 -170.374 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_exo . . . . . 0 C--O 1.261 1.639 0 C-N-CA 123.465 2.777 . . . . 17.68 111.165 176.801 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.279 0 N-CA-C 110.565 -0.161 . . . . 17.23 110.565 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.0 m -151.57 28.08 0.64 Allowed 'General case' 0 C--N 1.361 1.074 0 C-N-CA 125.587 1.555 . . . . 16.87 106.912 178.376 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 10.0 p30 -138.49 102.02 4.51 Favored 'General case' 0 C--N 1.365 1.244 0 N-CA-C 106.886 -1.524 . . . . 17.01 106.886 -174.062 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.55 128.0 1.03 Allowed Glycine 0 C--N 1.359 1.847 0 N-CA-C 108.447 -1.861 . . . . 15.79 108.447 -179.126 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -173.55 167.65 2.54 Favored Pre-proline 0 C--N 1.363 1.176 0 N-CA-C 105.376 -2.083 . . . . 16.2 105.376 -177.13 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -79.13 139.24 14.89 Favored 'Trans proline' 0 C--N 1.363 1.315 0 C-N-CA 124.138 3.225 . . . . 14.32 110.7 161.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -115.01 47.04 1.33 Allowed 'General case' 0 C--N 1.363 1.175 0 C-N-CA 125.813 1.645 . . . . 15.54 106.718 -179.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -135.3 -28.48 1.14 Allowed 'General case' 0 C--N 1.357 0.911 0 C-N-CA 127.784 2.434 . . . . 17.23 105.041 175.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -109.39 147.66 32.4 Favored 'General case' 0 C--N 1.363 1.169 0 C-N-CA 127.333 2.253 . . . . 14.38 107.343 179.508 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 48.9 mtm-85 -110.06 -174.53 2.51 Favored 'General case' 0 C--N 1.36 1.058 0 C-N-CA 126.4 1.88 . . . . 13.85 109.733 -165.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.3 mtmp? -138.93 78.83 1.69 Allowed 'General case' 0 C--N 1.36 1.033 0 N-CA-C 105.661 -1.977 . . . . 13.21 105.661 172.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.48 HH21 ' HE ' ' A' ' 47' ' ' ARG . 88.4 mtm180 -86.82 -132.36 0.06 Allowed 'General case' 0 C--N 1.367 1.364 0 C-N-CA 129.898 3.279 . . . . 10.61 110.952 178.672 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.51 173.26 7.71 Favored 'General case' 0 C--N 1.363 1.163 0 C-N-CA 127.304 2.242 . . . . 8.2 112.44 -177.602 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.4 m -106.29 156.19 7.0 Favored 'Isoleucine or valine' 0 C--N 1.359 0.993 0 C-N-CA 126.531 1.933 . . . . 4.36 110.101 -156.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -175.47 131.43 0.28 Allowed 'General case' 0 C--N 1.358 0.97 0 N-CA-C 103.901 -2.629 . . . . 5.24 103.901 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -106.45 103.28 12.7 Favored 'General case' 0 C--N 1.365 1.252 0 C-N-CA 127.076 2.15 . . . . 1.53 108.458 170.091 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 32.8 m -127.31 -166.64 1.63 Allowed 'General case' 0 C--N 1.35 0.608 0 C-N-CA 128.362 2.665 . . . . 1.31 106.911 173.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.7 pttm -76.06 -10.94 59.82 Favored 'General case' 0 C--N 1.367 1.359 0 C-N-CA 127.554 2.342 . . . . 3.73 116.273 -169.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -78.55 -34.57 47.0 Favored 'General case' 0 C--N 1.367 1.332 0 C-N-CA 126.839 2.055 . . . . 1.13 112.679 172.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 42.9 mm-40 -76.89 -44.11 33.19 Favored 'General case' 0 C--N 1.366 1.3 0 C-N-CA 128.796 2.839 . . . . 0.86 111.272 -174.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 62.4 p -74.49 -28.8 61.17 Favored 'General case' 0 C--N 1.363 1.188 0 C-N-CA 126.493 1.917 . . . . 1.12 111.947 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 54.0 t80 -65.63 -51.08 62.33 Favored 'General case' 0 C--N 1.369 1.45 0 C-N-CA 127.494 2.318 . . . . 1.22 112.765 175.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -74.45 -34.32 63.14 Favored 'General case' 0 C--N 1.358 0.967 0 N-CA-C 115.741 1.756 . . . . 1.06 115.741 -176.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 83.2 mt -74.1 -42.32 60.28 Favored 'General case' 0 C--N 1.361 1.077 0 C-N-CA 126.621 1.968 . . . . 1.05 114.369 178.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -69.2 -30.94 69.23 Favored 'General case' 0 C--N 1.363 1.164 0 C-N-CA 127.005 2.122 . . . . 1.66 115.382 171.046 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.6 ptm180 -77.49 -31.06 53.38 Favored 'General case' 0 C--N 1.369 1.422 0 N-CA-C 115.364 1.616 . . . . 2.54 115.364 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.441 ' HE ' HE21 ' A' ' 31' ' ' GLN 0.254 37.2 mmm-85 -79.73 -16.51 55.49 Favored 'General case' 0 C--N 1.37 1.496 0 C-N-CA 123.879 0.872 . . . . 1.89 112.675 164.542 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -75.33 -30.51 60.31 Favored 'General case' 0 C--N 1.368 1.373 0 O-C-N 120.44 -1.412 . . . . 0.83 114.344 173.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.413 ' HD3' HH12 ' A' ' 66' ' ' ARG . 9.3 tpt180 -93.62 -37.51 11.83 Favored 'General case' 0 C--N 1.353 0.736 0 C-N-CA 125.917 1.687 . . . . 4.57 114.213 -167.546 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 65.8 tp60 -92.41 -23.22 19.26 Favored 'General case' 0 C--N 1.367 1.359 0 C-N-CA 127.037 2.135 . . . . 2.53 112.519 174.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.441 HE21 ' HE ' ' A' ' 27' ' ' ARG . 0.4 OUTLIER -127.4 165.59 19.5 Favored 'General case' 0 C--N 1.363 1.177 0 N-CA-C 105.916 -1.883 . . . . 2.04 105.916 -176.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . 0.26 94.1 mtt-85 -89.05 -79.82 0.31 Allowed 'General case' 0 C--N 1.355 0.807 0 N-CA-C 105.92 -1.881 . . . . 4.25 105.92 130.354 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . 2.369 16.5 m-85 70.74 49.28 0.39 Allowed 'General case' 0 C--N 1.362 1.11 0 C-N-CA 130.943 3.697 . . . . 5.9 114.631 122.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . 2.337 0.0 OUTLIER -79.8 -122.87 0.01 OUTLIER 'General case' 0 C--N 1.359 1.011 0 C-N-CA 129.207 3.003 . . . . 1.23 110.873 173.04 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 21.7 t 118.44 167.31 0.0 OUTLIER 'General case' 0 C--N 1.378 1.809 0 C-N-CA 130.959 3.704 . . . . 2.04 101.383 -170.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -73.22 -49.42 7.02 Favored Pre-proline 0 C--N 1.347 0.472 0 CA-C-O 116.218 -1.848 . . . . 1.23 114.197 178.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -72.52 -17.41 26.7 Favored 'Trans proline' 0 C--N 1.365 1.415 0 CA-C-N 125.067 2.845 . . . . 1.03 116.137 179.474 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.303 1.2 pt-20 -97.37 -14.29 21.34 Favored 'General case' 0 C--N 1.368 1.389 0 CA-C-N 120.327 1.421 . . . . 1.7 113.365 178.692 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 37.2 ttm180 -81.52 -36.11 29.56 Favored 'General case' 0 C--N 1.372 1.583 0 C-N-CA 125.828 1.651 . . . . 3.04 112.307 170.226 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -76.91 -23.15 52.51 Favored 'General case' 0 C--N 1.372 1.568 0 C-N-CA 126.88 2.072 . . . . 1.74 112.662 179.369 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 45.4 t-80 -85.01 -31.19 23.61 Favored 'General case' 0 C--N 1.362 1.14 0 C-N-CA 127.88 2.472 . . . . 2.01 110.97 178.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -75.85 -35.4 59.95 Favored 'General case' 0 C--N 1.368 1.374 0 C-N-CA 128.201 2.601 . . . . 1.19 112.212 174.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -80.79 -29.67 36.04 Favored 'General case' 0 C--N 1.364 1.196 0 C-N-CA 128.131 2.572 . . . . 1.07 113.029 -179.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 73.8 m -84.57 -29.55 25.75 Favored 'General case' 0 C--N 1.364 1.203 0 C-N-CA 124.796 1.238 . . . . 1.03 113.216 176.034 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 36.6 tp -72.79 -38.2 67.31 Favored 'General case' 0 C--N 1.361 1.092 0 C-N-CA 125.823 1.649 . . . . 2.35 113.18 175.224 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.3 pt -99.12 -18.09 6.43 Favored 'Isoleucine or valine' 0 C--N 1.368 1.389 0 C-N-CA 124.085 0.954 . . . . 1.07 112.998 -173.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.48 ' HE ' HH21 ' A' ' 12' ' ' ARG . 1.3 tpp180 95.32 45.1 0.0 OUTLIER 'General case' 0 C--N 1.375 1.676 0 C-N-CA 130.092 3.357 . . . . 3.61 114.366 164.257 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 94.6 mt -127.45 -175.57 3.49 Favored 'General case' 0 C--N 1.356 0.889 0 O-C-N 120.636 -1.29 . . . . 1.12 109.613 -177.145 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.427 HG22 ' H ' ' A' ' 51' ' ' THR . 71.5 p -90.74 145.59 32.37 Favored Pre-proline 0 C--N 1.369 1.435 0 C-N-CA 126.774 2.029 . . . . 1.36 109.482 -178.139 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_exo -61.89 -20.99 71.37 Favored 'Trans proline' 0 C--N 1.366 1.476 1 C-N-CA 126.173 4.582 . . . . 1.0 116.142 173.542 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.427 ' H ' HG22 ' A' ' 49' ' ' THR . 13.6 t -87.74 -29.0 21.4 Favored 'General case' 0 C--N 1.366 1.312 0 C-N-CA 126.613 1.965 . . . . 1.13 110.869 -176.794 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -82.27 -33.55 29.11 Favored 'General case' 0 C--N 1.373 1.615 0 CA-C-N 119.575 1.079 . . . . 1.04 112.542 178.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.3 p -69.49 -38.02 76.07 Favored 'Isoleucine or valine' 0 C--N 1.378 1.831 0 C-N-CA 125.52 1.528 . . . . 1.07 112.624 171.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 6.3 mmmt -53.48 -50.67 64.86 Favored 'General case' 0 C--N 1.373 1.61 0 C-N-CA 127.656 2.382 . . . . 1.54 115.442 169.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.0 mt -86.31 -4.81 9.63 Favored 'Isoleucine or valine' 0 C--N 1.366 1.288 0 N-CA-C 114.823 1.416 . . . . 1.32 114.823 178.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 24.9 t90 -75.77 -43.5 46.23 Favored 'General case' 0 C--N 1.376 1.753 0 C-N-CA 124.856 1.262 . . . . 0.28 110.558 169.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -82.87 -20.29 35.81 Favored 'General case' 0 C--N 1.371 1.52 0 C-N-CA 125.43 1.492 . . . . 0.46 113.098 179.093 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -85.0 -23.92 28.47 Favored 'General case' 0 C--N 1.369 1.433 0 C-N-CA 125.768 1.627 . . . . 1.34 112.231 178.238 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 51.5 m-20 -87.4 -28.71 21.99 Favored 'General case' 0 C--N 1.367 1.354 0 C-N-CA 125.48 1.512 . . . . 0.56 113.231 171.597 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 2.4 m80 -81.59 -16.49 51.42 Favored 'General case' 0 C--N 1.365 1.264 0 N-CA-C 115.207 1.558 . . . . 2.39 115.207 -173.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . 0.346 0.0 OUTLIER -81.43 -35.0 31.16 Favored 'General case' 0 C--N 1.37 1.479 0 CA-C-N 119.673 1.124 . . . . 3.79 113.91 -178.312 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 51.7 p90 -164.64 113.81 1.13 Allowed 'General case' 0 N--CA 1.434 -1.274 0 N-CA-C 106.396 -1.705 . . . . 6.38 106.396 158.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.0 mptp? -126.24 97.98 5.28 Favored 'General case' 0 C--N 1.35 0.62 0 N-CA-C 103.955 -2.609 . . . . 5.9 103.955 67.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . 0.346 0.6 OUTLIER -43.21 77.23 0.0 OUTLIER 'General case' 0 C--N 1.373 1.602 1 C-N-CA 134.616 5.166 . . . . 3.68 117.479 -162.828 . . . . . . . . 4 3 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 6.5 ptpp? -90.32 26.55 1.9 Allowed 'General case' 0 N--CA 1.449 -0.52 1 C-N-CA 132.279 4.232 . . . . 8.17 115.018 -175.103 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.413 HH12 ' HD3' ' A' ' 29' ' ' ARG . 75.2 ttt-85 -156.03 -52.88 0.08 Allowed 'General case' 0 C--N 1.358 0.944 0 N-CA-C 106.842 -1.54 . . . . 11.25 106.842 -179.403 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -100.4 117.03 33.75 Favored 'General case' 0 C--N 1.361 1.092 0 C-N-CA 126.517 1.927 . . . . 9.1 109.462 -171.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -105.39 44.89 1.0 Allowed 'General case' 0 C--N 1.359 1.021 0 C-N-CA 126.655 1.982 . . . . 9.58 109.787 -177.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -174.8 96.91 0.08 Allowed 'General case' 0 N--CA 1.422 -1.828 2 C-N-CA 132.299 4.239 . . . . 12.3 99.637 -169.399 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . 2.137 18.3 pt-20 -47.9 -100.16 0.0 OUTLIER 'General case' 0 C--N 1.353 0.727 0 C-N-CA 130.504 3.522 . . . . 12.57 117.827 168.305 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.2 mmmm -81.18 121.43 26.12 Favored 'General case' 0 C--N 1.357 0.906 0 C-N-CA 124.848 1.259 . . . . 16.33 111.924 -177.469 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 126.51 -39.21 2.03 Favored Glycine 0 C--N 1.355 1.601 0 C-N-CA 125.538 1.542 . . . . 15.41 113.564 175.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 32.8 t80 -69.59 -51.29 36.58 Favored 'General case' 0 C--N 1.367 1.33 0 C-N-CA 128.311 2.644 . . . . 13.81 117.164 -161.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -105.88 32.7 4.19 Favored 'General case' 0 N--CA 1.446 -0.628 0 C-N-CA 127.403 2.281 . . . . 14.6 113.304 -161.189 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 63.07 47.47 88.23 Favored Glycine 0 C--N 1.362 2.009 0 C-N-CA 127.644 2.545 . . . . 15.93 117.502 165.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . 2.392 52.5 t60 173.63 64.26 0.04 OUTLIER Pre-proline 0 N--CA 1.44 -0.938 0 CA-C-O 115.79 -2.052 . . . . 18.34 108.197 174.759 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo . . . . . 0 C--O 1.262 1.701 0 CA-C-N 125.721 3.079 . . . . 17.68 109.499 165.548 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.495 0.188 . . . . 17.23 110.817 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.496 ' H ' HD12 ' A' ' 15' ' ' LEU . 12.8 t -142.3 -107.32 0.14 Allowed 'General case' 0 C--N 1.36 1.03 0 N-CA-C 104.651 -2.352 . . . . 16.87 104.651 179.373 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -156.46 144.5 19.59 Favored 'General case' 0 C--N 1.358 0.975 0 N-CA-C 105.669 -1.975 . . . . 17.01 105.669 -179.318 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.44 134.06 3.06 Favored Glycine 0 C--N 1.355 1.59 0 N-CA-C 105.721 -2.951 . . . . 15.79 105.721 177.222 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 17.0 mt -129.7 164.56 39.22 Favored Pre-proline 0 C--N 1.361 1.081 0 N-CA-C 105.306 -2.109 . . . . 16.2 105.306 -178.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -82.18 73.99 5.4 Favored 'Trans proline' 0 C--N 1.369 1.648 0 C-N-CA 124.383 3.389 . . . . 14.32 110.325 174.021 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 58.8 m-80 -166.66 -47.45 0.02 OUTLIER 'General case' 0 C--N 1.357 0.917 0 N-CA-C 103.194 -2.891 . . . . 15.54 103.194 -167.485 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 57.6 mtpt -84.64 -45.86 12.08 Favored 'General case' 0 C--N 1.367 1.349 0 C-N-CA 129.108 2.963 . . . . 17.23 110.314 -179.096 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 17.6 pttm -145.74 122.1 10.95 Favored 'General case' 0 C--N 1.357 0.899 0 N-CA-C 103.987 -2.597 . . . . 14.38 103.987 173.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 -116.8 128.65 55.5 Favored 'General case' 0 C--N 1.36 1.034 0 C-N-CA 125.288 1.435 . . . . 13.85 107.427 -173.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . 0.258 36.0 mtmm 88.56 23.03 0.04 OUTLIER 'General case' 0 C--N 1.369 1.436 0 C-N-CA 129.839 3.256 . . . . 13.21 110.053 -170.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 51.9 ptt85 -63.72 168.23 5.11 Favored 'General case' 0 C--N 1.363 1.179 0 C-N-CA 131.51 3.924 . . . . 10.61 118.246 -173.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.3 mmm180 -92.64 161.96 14.36 Favored 'General case' 0 C--N 1.365 1.245 0 C-N-CA 128.275 2.63 . . . . 8.2 109.059 162.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.4 m -90.84 153.06 3.25 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.748 0 C-N-CA 126.761 2.024 . . . . 4.36 113.481 -156.025 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.496 HD12 ' H ' ' A' ' 2' ' ' SER . 3.7 mm? -120.63 90.16 3.27 Favored 'General case' 0 C--N 1.363 1.163 0 C-N-CA 125.424 1.49 . . . . 5.24 108.043 178.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.487 ' HB3' ' HB2' ' A' ' 20' ' ' GLN . 19.8 m-30 -105.64 154.99 19.67 Favored 'General case' 0 C--N 1.36 1.024 0 C-N-CA 129.28 3.032 . . . . 1.53 110.096 178.199 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.6 m -96.23 -178.21 4.24 Favored 'General case' 0 C--N 1.373 1.617 0 C-N-CA 126.821 2.049 . . . . 1.31 110.818 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.9 ptmm? -80.61 7.31 10.36 Favored 'General case' 0 C--N 1.37 1.481 0 N-CA-C 116.925 2.194 . . . . 3.73 116.925 -165.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.28 -48.92 8.61 Favored 'General case' 0 C--N 1.36 1.049 0 C-N-CA 126.146 1.778 . . . . 1.13 111.873 158.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.487 ' HB2' ' HB3' ' A' ' 16' ' ' PHE . 55.8 mm-40 -76.13 -46.42 28.83 Favored 'General case' 0 C--N 1.368 1.38 0 C-N-CA 128.623 2.769 . . . . 0.86 112.374 -168.688 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 59.9 p -70.93 -31.0 67.48 Favored 'General case' 0 C--N 1.37 1.485 0 C-N-CA 127.975 2.51 . . . . 1.12 111.981 179.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 49.9 t80 -63.68 -53.95 43.33 Favored 'General case' 0 C--N 1.367 1.348 0 C-N-CA 128.873 2.869 . . . . 1.22 112.508 178.042 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -68.32 -37.67 80.79 Favored 'General case' 0 C--N 1.364 1.229 0 C-N-CA 125.977 1.711 . . . . 1.06 115.597 -178.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 93.7 mt -69.12 -36.12 77.15 Favored 'General case' 0 C--N 1.361 1.082 0 N-CA-C 116.3 1.963 . . . . 1.05 116.3 177.106 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -77.68 -22.21 50.87 Favored 'General case' 0 C--N 1.359 0.99 0 C-N-CA 126.903 2.081 . . . . 1.66 113.738 176.244 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . 0.293 8.2 mmt85 -66.87 -55.22 15.69 Favored 'General case' 0 C--N 1.379 1.86 0 C-N-CA 123.318 0.647 . . . . 2.54 111.704 168.761 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.623 2.8 ptm180 -86.27 1.82 49.48 Favored 'General case' 0 C--N 1.372 1.548 0 N-CA-C 115.367 1.617 . . . . 1.89 115.367 -171.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 25.2 t80 -79.74 -43.02 23.34 Favored 'General case' 0 C--N 1.378 1.832 0 C-N-CA 126.909 2.084 . . . . 0.83 113.792 153.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.2 tmm_? -80.51 -29.49 37.29 Favored 'General case' 0 C--N 1.368 1.408 0 C-N-CA 125.8 1.64 . . . . 4.57 113.884 -173.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 66.0 tp60 -88.39 -24.62 23.03 Favored 'General case' 0 C--N 1.368 1.371 0 C-N-CA 127.928 2.491 . . . . 2.53 112.528 -178.128 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -161.73 155.17 21.21 Favored 'General case' 0 C--N 1.361 1.1 0 N-CA-C 106.14 -1.8 . . . . 2.04 106.14 -173.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.7 mmm180 -90.13 -48.93 6.87 Favored 'General case' 0 C--N 1.363 1.188 0 C-N-CA 125.306 1.442 . . . . 4.25 109.554 173.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . 2.397 39.7 m-85 32.47 -145.87 0.0 OUTLIER 'General case' 0 C--N 1.371 1.536 1 C-N-CA 133.799 4.84 . . . . 5.9 117.029 176.005 . . . . . . . . 3 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -155.48 129.92 9.0 Favored 'General case' 0 C--N 1.359 0.987 1 C-N-CA 132.124 4.17 . . . . 1.23 102.696 5.004 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 21.4 p -90.42 165.56 13.77 Favored 'General case' 0 C--N 1.368 1.377 0 C-N-CA 126.847 2.059 . . . . 2.04 109.862 -171.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.8 -34.39 14.53 Favored Pre-proline 0 C--N 1.366 1.317 0 N-CA-C 120.206 3.41 . . . . 1.23 120.206 -171.456 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_exo -67.18 -27.45 41.45 Favored 'Trans proline' 0 C--N 1.361 1.213 0 C-N-CA 124.173 3.249 . . . . 1.03 115.581 175.335 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -107.85 -21.82 12.69 Favored 'General case' 0 C--N 1.362 1.122 0 C-N-CA 126.013 1.725 . . . . 1.7 114.764 176.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 60.9 ttp85 -78.22 -43.42 28.42 Favored 'General case' 0 C--N 1.377 1.774 0 CA-C-N 121.253 1.842 . . . . 3.04 111.429 179.487 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -82.71 -21.67 34.74 Favored 'General case' 0 C--N 1.368 1.404 0 C-N-CA 127.167 2.187 . . . . 1.74 112.588 -176.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 47.1 t-80 -81.91 -26.77 33.8 Favored 'General case' 0 C--N 1.365 1.277 0 C-N-CA 127.735 2.414 . . . . 2.01 111.269 177.158 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -69.8 -38.71 76.74 Favored 'General case' 0 C--N 1.368 1.41 0 C-N-CA 128.106 2.562 . . . . 1.19 112.543 169.098 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -76.21 -27.42 56.82 Favored 'General case' 0 C--N 1.361 1.106 0 C-N-CA 127.752 2.421 . . . . 1.07 113.794 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 68.3 m -85.15 -29.36 24.84 Favored 'General case' 0 C--N 1.36 1.034 0 C-N-CA 125.939 1.695 . . . . 1.03 113.505 175.314 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -76.88 -36.41 56.76 Favored 'General case' 0 C--N 1.364 1.207 0 C-N-CA 127.545 2.338 . . . . 2.35 112.199 178.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.0 pt -102.66 -19.71 5.97 Favored 'Isoleucine or valine' 0 C--N 1.365 1.27 0 C-N-CA 124.329 1.052 . . . . 1.07 111.489 -175.257 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 11.7 tpp85 85.21 66.85 0.01 OUTLIER 'General case' 0 C--N 1.374 1.644 0 C-N-CA 129.092 2.957 . . . . 3.61 113.806 170.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 90.5 mt -137.6 -171.47 3.0 Favored 'General case' 0 C--N 1.36 1.039 0 C-N-CA 124.743 1.217 . . . . 1.12 108.751 174.127 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 82.4 p -97.09 148.58 34.6 Favored Pre-proline 0 C--N 1.37 1.482 0 C-N-CA 127.498 2.319 . . . . 1.36 109.292 178.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -59.73 -24.04 74.13 Favored 'Trans proline' 0 C--N 1.364 1.372 1 C-N-CA 126.458 4.772 . . . . 1.0 117.002 170.598 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.6 t -87.75 -25.01 23.63 Favored 'General case' 0 C--N 1.365 1.247 0 C-N-CA 125.331 1.453 . . . . 1.13 111.261 -175.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -84.96 -33.23 22.68 Favored 'General case' 0 C--N 1.371 1.516 0 C-N-CA 123.943 0.897 . . . . 1.04 112.84 177.319 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.6 p -66.46 -41.99 89.55 Favored 'Isoleucine or valine' 0 C--N 1.381 1.959 0 C-N-CA 125.042 1.337 . . . . 1.07 112.615 170.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . 0.28 0.0 OUTLIER -72.14 -30.08 64.68 Favored 'General case' 0 C--N 1.366 1.294 0 N-CA-C 115.864 1.801 . . . . 1.54 115.864 176.692 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.265 0.3 OUTLIER -79.58 -13.88 13.29 Favored 'Isoleucine or valine' 0 C--N 1.385 2.118 0 CA-C-N 121.288 1.858 . . . . 1.32 113.966 167.076 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 28.1 t90 -75.26 -38.89 60.3 Favored 'General case' 0 C--N 1.38 1.897 0 CA-C-N 120.738 1.608 . . . . 0.28 111.762 174.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -81.34 -15.68 54.63 Favored 'General case' 0 C--N 1.368 1.372 0 C-N-CA 126.561 1.944 . . . . 0.46 112.716 178.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -69.99 -45.42 67.33 Favored 'General case' 0 C--N 1.366 1.321 0 C-N-CA 127.001 2.12 . . . . 1.34 113.124 165.249 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 64.5 m-20 -95.06 -28.97 14.83 Favored 'General case' 0 C--N 1.365 1.254 0 C-N-CA 125.605 1.562 . . . . 0.56 114.244 -167.174 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -90.92 33.05 0.95 Allowed 'General case' 0 C--N 1.366 1.316 0 C-N-CA 124.766 1.226 . . . . 2.39 114.092 -174.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . 0.336 0.0 OUTLIER -85.25 -36.63 20.79 Favored 'General case' 0 C--N 1.364 1.238 0 N-CA-C 113.875 1.065 . . . . 3.79 113.875 171.881 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . 2.075 44.1 m-85 121.21 -86.34 0.0 OUTLIER 'General case' 0 C--N 1.361 1.095 0 CA-C-O 123.953 1.835 . . . . 6.38 109.923 161.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . 0.349 0.7 OUTLIER 79.09 78.31 0.06 Allowed 'General case' 0 N--CA 1.48 1.039 0 CA-C-N 111.374 -2.648 . . . . 5.9 111.685 -102.488 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.71 93.05 4.44 Favored 'General case' 0 C--N 1.367 1.33 0 C-N-CA 130.084 3.354 . . . . 3.68 103.138 172.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.51 55.8 0.84 Allowed 'General case' 0 C--N 1.352 0.687 0 C-N-CA 131.573 3.949 . . . . 8.17 115.676 -171.277 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 14.8 tpt180 -106.32 -46.39 4.05 Favored 'General case' 0 C--N 1.356 0.872 0 C-N-CA 128.43 2.692 . . . . 11.25 104.607 162.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -100.1 104.92 16.5 Favored 'General case' 0 C--N 1.36 1.063 0 C-N-CA 127.356 2.263 . . . . 9.1 105.798 159.26 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -87.86 89.76 8.12 Favored 'General case' 0 C--N 1.365 1.247 0 C-N-CA 125.524 1.53 . . . . 9.58 112.965 -164.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -120.44 50.45 1.32 Allowed 'General case' 0 N--CA 1.444 -0.744 0 C-N-CA 129.067 2.947 . . . . 12.3 110.135 -178.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . 0.404 1.6 pm0 -63.79 -90.05 0.01 OUTLIER 'General case' 0 C--N 1.363 1.156 0 C-N-CA 127.795 2.438 . . . . 12.57 115.238 164.293 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -96.52 123.37 40.16 Favored 'General case' 0 C--N 1.383 2.032 0 CA-C-N 123.252 2.751 . . . . 16.33 109.137 173.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 149.61 -65.89 0.38 Allowed Glycine 0 C--N 1.355 1.588 0 N-CA-C 106.492 -2.643 . . . . 15.41 106.492 -176.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -78.97 -20.55 48.88 Favored 'General case' 0 C--N 1.357 0.899 0 C-N-CA 129.044 2.937 . . . . 13.81 116.601 -167.493 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -113.34 50.36 0.9 Allowed 'General case' 0 N--CA 1.44 -0.953 0 C-N-CA 128.901 2.881 . . . . 14.6 107.438 -173.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -169.77 -93.01 0.09 OUTLIER Glycine 0 C--N 1.355 1.602 0 N-CA-C 105.768 -2.933 . . . . 15.93 105.768 -178.17 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -143.8 89.81 7.2 Favored Pre-proline 0 C--N 1.359 1.006 0 N-CA-C 107.101 -1.444 . . . . 18.34 107.101 179.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo . . . . . 0 C--O 1.261 1.666 0 C-N-CA 123.717 2.945 . . . . 17.68 109.278 172.969 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.611 0.243 . . . . 17.23 110.708 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.0 m -137.5 21.51 2.93 Favored 'General case' 0 C--N 1.36 1.056 0 C-N-CA 125.583 1.553 . . . . 16.87 107.665 -179.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.489 ' HA ' HH11 ' A' ' 13' ' ' ARG . 45.9 t0 -160.8 118.81 2.46 Favored 'General case' 0 C--N 1.361 1.069 0 N-CA-C 103.631 -2.729 . . . . 17.01 103.631 178.655 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.65 -134.01 2.92 Favored Glycine 0 C--N 1.354 1.56 0 N-CA-C 106.233 -2.747 . . . . 15.79 106.233 -178.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 20.1 mt -123.55 155.89 65.22 Favored Pre-proline 0 C--N 1.363 1.164 0 N-CA-C 106.236 -1.764 . . . . 16.2 106.236 174.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_endo -81.51 108.33 1.92 Allowed 'Trans proline' 0 C--N 1.365 1.423 0 C-N-CA 123.547 2.831 . . . . 14.32 110.459 170.047 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 42.2 t30 -140.98 -56.05 0.5 Allowed 'General case' 0 C--N 1.357 0.922 0 N-CA-C 102.928 -2.989 . . . . 15.54 102.928 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -111.8 166.83 10.85 Favored 'General case' 0 C--N 1.361 1.065 0 C-N-CA 127.032 2.133 . . . . 17.23 105.941 169.172 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -107.87 43.59 1.19 Allowed 'General case' 0 C--N 1.364 1.233 0 C-N-CA 125.081 1.352 . . . . 14.38 108.791 172.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.2 mmm180 -136.01 26.51 3.27 Favored 'General case' 0 C--N 1.358 0.937 0 C-N-CA 127.436 2.295 . . . . 13.85 104.853 171.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -159.66 -39.27 0.05 Allowed 'General case' 0 C--N 1.362 1.118 0 N-CA-C 107.849 -1.167 . . . . 13.21 107.849 -163.063 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.71 161.29 0.35 Allowed 'General case' 0 C--N 1.363 1.195 0 N-CA-C 121.119 3.748 . . . . 10.61 121.119 -161.288 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.489 HH11 ' HA ' ' A' ' 3' ' ' ASP . 29.2 mmm180 -85.12 131.32 34.46 Favored 'General case' 0 C--N 1.369 1.423 0 C-N-CA 127.189 2.195 . . . . 8.2 107.179 156.602 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 28.8 m -80.63 125.84 39.4 Favored 'Isoleucine or valine' 0 C--N 1.358 0.978 0 N-CA-C 115.831 1.789 . . . . 4.36 115.831 -130.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -128.98 140.74 51.51 Favored 'General case' 0 N--CA 1.437 -1.124 0 N-CA-C 102.953 -2.98 . . . . 5.24 102.953 173.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -105.84 121.08 43.32 Favored 'General case' 0 N--CA 1.433 -1.298 0 N-CA-C 105.382 -2.081 . . . . 1.53 105.382 177.042 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 27.1 m -114.5 -171.88 2.01 Favored 'General case' 0 C--N 1.356 0.891 0 C-N-CA 126.863 2.065 . . . . 1.31 108.454 -176.112 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -85.02 8.78 16.62 Favored 'General case' 0 C--N 1.37 1.481 0 C-N-CA 126.898 2.079 . . . . 3.73 114.896 -170.26 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.18 -47.51 10.05 Favored 'General case' 0 C--N 1.36 1.049 0 C-N-CA 126.533 1.933 . . . . 1.13 111.778 160.222 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 50.6 mm-40 -72.14 -51.85 19.4 Favored 'General case' 0 C--N 1.37 1.492 0 C-N-CA 129.03 2.932 . . . . 0.86 112.774 -170.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 67.0 p -68.15 -35.33 77.9 Favored 'General case' 0 C--N 1.368 1.411 0 C-N-CA 127.772 2.429 . . . . 1.12 112.749 -178.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 46.0 t80 -63.13 -53.83 47.29 Favored 'General case' 0 C--N 1.365 1.261 0 C-N-CA 129.191 2.996 . . . . 1.22 112.83 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -67.6 -40.28 84.75 Favored 'General case' 0 C--N 1.362 1.139 0 C-N-CA 126.73 2.012 . . . . 1.06 115.152 -178.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 98.3 mt -67.01 -35.69 80.48 Favored 'General case' 0 C--N 1.361 1.07 0 C-N-CA 126.725 2.01 . . . . 1.05 115.791 178.101 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -78.15 -25.34 47.28 Favored 'General case' 0 C--N 1.358 0.96 0 C-N-CA 127.061 2.144 . . . . 1.66 114.566 175.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . 0.299 5.3 mmt85 -68.13 -50.17 56.39 Favored 'General case' 0 C--N 1.378 1.826 0 C-N-CA 123.512 0.725 . . . . 2.54 111.857 172.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.441 0.0 OUTLIER -84.71 6.15 25.42 Favored 'General case' 0 C--N 1.374 1.67 0 CA-C-N 114.662 -1.154 . . . . 1.89 114.102 179.881 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -87.55 -31.94 19.63 Favored 'General case' 0 C--N 1.37 1.49 0 C-N-CA 126.13 1.772 . . . . 0.83 114.597 157.608 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 33.4 mmt-85 -81.79 -41.7 20.78 Favored 'General case' 0 C--N 1.371 1.53 0 CA-C-N 120.872 1.669 . . . . 4.57 113.696 179.103 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 66.5 tp60 -90.91 -22.87 20.68 Favored 'General case' 0 C--N 1.367 1.335 0 C-N-CA 127.799 2.439 . . . . 2.53 112.979 -170.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -150.9 156.85 42.06 Favored 'General case' 0 C--N 1.361 1.068 0 N-CA-C 105.876 -1.898 . . . . 2.04 105.876 -177.159 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.447 ' HG3' HH11 ' A' ' 66' ' ' ARG . 15.5 mtm105 -105.45 -38.04 6.61 Favored 'General case' 0 C--N 1.364 1.208 0 C-N-CA 124.344 1.057 . . . . 4.25 110.535 -178.578 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . 0.484 0.2 OUTLIER -69.46 -84.27 0.03 OUTLIER 'General case' 0 C--N 1.37 1.488 0 N-CA-C 118.72 2.859 . . . . 5.9 118.72 -145.478 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -129.58 159.51 36.13 Favored 'General case' 0 C--N 1.37 1.473 1 C-N-CA 136.56 5.944 . . . . 1.23 100.25 15.411 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 24.7 p -74.71 153.08 39.02 Favored 'General case' 0 C--N 1.384 2.096 0 CA-C-N 122.504 2.411 . . . . 2.04 112.589 178.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.09 -37.64 40.17 Favored Pre-proline 0 C--N 1.366 1.284 0 N-CA-C 118.558 2.799 . . . . 1.23 118.558 -167.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -68.55 -17.88 43.25 Favored 'Trans proline' 0 C--N 1.364 1.391 0 C-N-CA 124.529 3.486 . . . . 1.03 115.44 173.421 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -106.16 -14.71 15.06 Favored 'General case' 0 C--N 1.363 1.157 0 C-N-CA 125.714 1.605 . . . . 1.7 114.699 174.05 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 46.0 ttp85 -79.67 -46.39 17.25 Favored 'General case' 0 C--N 1.377 1.768 0 C-N-CA 126.294 1.838 . . . . 3.04 111.528 177.473 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -79.35 -27.66 42.0 Favored 'General case' 0 C--N 1.369 1.416 0 C-N-CA 128.212 2.605 . . . . 1.74 112.342 -176.596 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 45.6 t-80 -83.58 -25.75 30.64 Favored 'General case' 0 C--N 1.364 1.208 0 C-N-CA 127.713 2.405 . . . . 2.01 111.243 -179.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -69.45 -35.65 75.85 Favored 'General case' 0 C--N 1.368 1.391 0 C-N-CA 127.886 2.474 . . . . 1.19 112.708 167.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.54 -28.94 62.15 Favored 'General case' 0 C--N 1.362 1.147 0 C-N-CA 126.989 2.116 . . . . 1.07 113.822 175.608 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 50.3 m -85.13 -30.55 23.9 Favored 'General case' 0 C--N 1.36 1.038 0 C-N-CA 125.552 1.541 . . . . 1.03 114.538 174.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -78.28 -34.85 48.68 Favored 'General case' 0 C--N 1.362 1.117 0 C-N-CA 127.36 2.264 . . . . 2.35 112.292 -178.263 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.7 pt -100.65 -21.36 5.14 Favored 'Isoleucine or valine' 0 C--N 1.364 1.238 0 C-N-CA 124.486 1.114 . . . . 1.07 111.344 -177.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 18.0 tpp180 86.09 66.25 0.01 OUTLIER 'General case' 0 C--N 1.374 1.651 0 C-N-CA 128.975 2.91 . . . . 3.61 114.058 170.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 85.2 mt -134.52 -163.61 1.4 Allowed 'General case' 0 C--N 1.356 0.87 0 N-CA-C 107.193 -1.41 . . . . 1.12 107.193 172.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 68.4 p -104.82 148.55 36.28 Favored Pre-proline 0 C--N 1.367 1.332 0 C-N-CA 127.258 2.223 . . . . 1.36 107.431 178.039 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_exo -60.18 -20.22 60.72 Favored 'Trans proline' 0 C--N 1.362 1.273 1 C-N-CA 126.073 4.515 . . . . 1.0 116.911 171.039 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.5 t -87.07 -29.99 21.48 Favored 'General case' 0 C--N 1.366 1.286 0 C-N-CA 126.302 1.841 . . . . 1.13 111.394 -177.083 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -84.3 -30.8 25.28 Favored 'General case' 0 C--N 1.372 1.574 0 CA-C-N 119.428 1.013 . . . . 1.04 112.602 179.028 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.7 p -67.12 -39.38 83.07 Favored 'Isoleucine or valine' 0 C--N 1.38 1.92 0 C-N-CA 124.995 1.318 . . . . 1.07 112.959 168.225 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.68 -53.11 51.88 Favored 'General case' 0 C--N 1.374 1.66 0 C-N-CA 127.77 2.428 . . . . 1.54 115.626 169.479 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.284 5.7 mt -85.02 -5.44 9.66 Favored 'Isoleucine or valine' 0 C--N 1.37 1.474 0 N-CA-C 114.917 1.451 . . . . 1.32 114.917 -179.031 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 33.5 t90 -74.74 -42.43 58.28 Favored 'General case' 0 C--N 1.378 1.839 0 C-N-CA 125.376 1.47 . . . . 0.28 110.764 166.099 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -84.21 -11.46 56.48 Favored 'General case' 0 C--N 1.366 1.286 0 C-N-CA 126.016 1.726 . . . . 0.46 113.725 -179.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 -80.83 -35.33 33.05 Favored 'General case' 0 C--N 1.357 0.918 0 C-N-CA 127.522 2.329 . . . . 1.34 111.866 170.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 61.2 m-20 -88.98 -42.83 11.55 Favored 'General case' 0 C--N 1.367 1.344 0 C-N-CA 126.261 1.824 . . . . 0.56 113.434 -174.541 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -67.73 -18.5 64.92 Favored 'General case' 0 C--N 1.366 1.285 0 N-CA-C 116.893 2.183 . . . . 2.39 116.893 -171.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 10.9 ptm180 -85.6 64.45 8.63 Favored 'General case' 0 C--N 1.371 1.522 0 C-N-CA 129.7 3.2 . . . . 3.79 115.643 178.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 5.6 t80 18.35 -66.56 0.0 OUTLIER 'General case' 0 N--CA 1.51 2.57 0 C-N-CA 131.411 3.884 . . . . 6.38 117.404 107.313 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.7 ptmm? 145.49 108.32 0.0 OUTLIER 'General case' 0 N--CA 1.433 -1.325 1 C-N-CA 135.59 5.556 . . . . 5.9 102.289 -169.496 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 34.2 p -81.2 75.28 8.18 Favored 'General case' 0 N--CA 1.436 -1.136 0 C-N-CA 131.071 3.748 . . . . 3.68 112.104 -171.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 20.1 ptmt -29.51 67.12 0.0 OUTLIER 'General case' 0 C--N 1.357 0.918 1 C-N-CA 139.764 7.226 . . . . 8.17 119.069 -177.762 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.447 HH11 ' HG3' ' A' ' 32' ' ' ARG . 6.7 ptm180 -162.0 -28.44 0.05 OUTLIER 'General case' 0 N--CA 1.446 -0.646 0 C-N-CA 128.745 2.818 . . . . 11.25 104.577 167.667 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.423 ' H ' ' H ' ' A' ' 66' ' ' ARG . . . -96.74 102.9 14.77 Favored 'General case' 0 C--N 1.367 1.352 0 C-N-CA 127.254 2.222 . . . . 9.1 108.475 164.772 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -103.04 97.94 7.96 Favored 'General case' 0 C--N 1.363 1.171 0 C-N-CA 126.763 2.025 . . . . 9.58 107.103 177.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 17.9 t30 -144.43 69.96 1.28 Allowed 'General case' 0 N--CA 1.44 -0.949 0 N-CA-C 102.837 -3.023 . . . . 12.3 102.837 -174.147 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.464 ' H ' ' CD ' ' A' ' 70' ' ' GLU 0.259 1.3 pm0 -48.26 -43.85 32.93 Favored 'General case' 0 C--N 1.356 0.889 1 N-CA-C 122.226 4.158 . . . . 12.57 122.226 -167.151 . . . . . . . . 4 3 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -115.42 126.16 54.03 Favored 'General case' 0 C--N 1.373 1.593 0 CA-C-N 123.639 2.927 . . . . 16.33 108.096 169.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 129.59 -50.47 0.89 Allowed Glycine 0 C--N 1.36 1.868 0 N-CA-C 108.232 -1.947 . . . . 15.41 108.232 176.47 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -76.05 -12.25 60.09 Favored 'General case' 0 C--N 1.361 1.072 0 C-N-CA 129.109 2.964 . . . . 13.81 116.664 -173.334 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -85.04 58.2 4.89 Favored 'General case' 0 C--N 1.358 0.975 0 C-N-CA 128.992 2.917 . . . . 14.6 112.404 -176.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 160.27 -104.05 0.24 Allowed Glycine 0 C--N 1.351 1.415 0 N-CA-C 105.726 -2.949 . . . . 15.93 105.726 176.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 81.0 m80 -132.78 103.12 13.3 Favored Pre-proline 0 C--N 1.36 1.024 0 N-CA-C 105.785 -1.932 . . . . 18.34 105.785 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo . . . . . 0 C--O 1.261 1.667 0 C-N-CA 124.074 3.183 . . . . 17.68 109.555 179.454 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.457 0 N-CA-C 112.298 0.481 . . . . 17.23 112.298 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.4 p -139.56 -42.93 0.44 Allowed 'General case' 0 C--N 1.359 0.985 0 N-CA-C 106.704 -1.591 . . . . 16.87 106.704 -175.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -141.74 86.74 2.01 Favored 'General case' 0 C--N 1.359 0.999 0 N-CA-C 103.032 -2.951 . . . . 17.01 103.032 174.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.03 -131.14 2.17 Favored Glycine 0 C--N 1.354 1.578 0 N-CA-C 106.717 -2.553 . . . . 15.79 106.717 -173.47 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 31.3 mt -118.63 86.29 29.03 Favored Pre-proline 0 C--N 1.364 1.214 0 CA-C-O 117.242 -1.361 . . . . 16.2 109.447 178.554 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -79.6 134.62 11.15 Favored 'Trans proline' 0 C--N 1.366 1.455 0 C-N-CA 123.348 2.699 . . . . 14.32 111.203 164.024 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -114.51 58.13 0.7 Allowed 'General case' 0 C--N 1.361 1.071 0 N-CA-C 105.443 -2.058 . . . . 15.54 105.443 175.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 56.2 pttt -158.73 -18.32 0.07 Allowed 'General case' 0 N--CA 1.441 -0.889 0 C-N-CA 126.319 1.848 . . . . 17.23 106.641 -173.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -116.54 -68.18 0.94 Allowed 'General case' 0 C--N 1.366 1.319 0 C-N-CA 125.519 1.528 . . . . 14.38 110.044 -172.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.5 tpt180 -153.88 -63.09 0.14 Allowed 'General case' 0 C--N 1.359 1.014 0 N-CA-C 109.123 -0.695 . . . . 13.85 109.123 -167.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . 2.421 58.1 tttp 169.4 -109.86 0.0 OUTLIER 'General case' 0 C--N 1.359 1.019 0 N-CA-C 106.15 -1.796 . . . . 13.21 106.15 -166.589 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.486 ' HD2' ' H ' ' A' ' 12' ' ' ARG 2.386 6.9 mpt_? 95.79 29.28 0.01 OUTLIER 'General case' 0 N--CA 1.43 -1.461 1 C-N-CA 133.672 4.789 . . . . 10.61 111.808 6.231 . . . . . . . . 4 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . 2.201 0.0 OUTLIER -44.13 -153.49 0.0 OUTLIER 'General case' 0 C--N 1.366 1.317 2 C-N-CA 133.554 4.742 . . . . 8.2 122.734 -177.58 . . . . . . . . 4 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 2.067 16.3 m -68.84 -108.41 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.439 -0.992 1 C-N-CA 135.171 5.388 . . . . 4.36 116.048 -170.291 . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -155.1 145.11 21.68 Favored 'General case' 0 CA--C 1.503 -0.837 0 N-CA-C 107.342 -1.355 . . . . 5.24 107.342 73.268 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -104.98 151.8 23.48 Favored 'General case' 0 N--CA 1.434 -1.253 0 C-N-CA 127.444 2.298 . . . . 1.53 111.008 -169.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 24.5 m -106.99 -172.27 2.05 Favored 'General case' 0 C--N 1.365 1.268 0 C-N-CA 127.165 2.186 . . . . 1.31 107.96 174.342 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -85.05 7.88 19.89 Favored 'General case' 0 C--N 1.368 1.41 0 C-N-CA 126.852 2.061 . . . . 3.73 114.623 -171.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.17 -45.27 12.19 Favored 'General case' 0 C--N 1.361 1.077 0 C-N-CA 126.779 2.032 . . . . 1.13 112.141 162.334 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 46.3 mm-40 -77.67 -48.11 17.59 Favored 'General case' 0 C--N 1.37 1.48 0 C-N-CA 127.858 2.463 . . . . 0.86 112.092 -169.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 62.4 p -66.6 -38.08 86.22 Favored 'General case' 0 C--N 1.374 1.64 0 C-N-CA 127.717 2.407 . . . . 1.12 112.513 178.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 49.2 t80 -58.57 -57.13 14.32 Favored 'General case' 0 C--N 1.369 1.422 0 C-N-CA 129.218 3.007 . . . . 1.22 112.69 177.191 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -67.9 -36.66 80.59 Favored 'General case' 0 C--N 1.367 1.352 0 C-N-CA 126.466 1.906 . . . . 1.06 115.272 -175.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 97.5 mt -67.36 -37.46 83.26 Favored 'General case' 0 C--N 1.364 1.212 0 C-N-CA 126.232 1.813 . . . . 1.05 115.799 176.062 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -76.77 -26.39 54.45 Favored 'General case' 0 C--N 1.36 1.05 0 C-N-CA 126.538 1.935 . . . . 1.66 114.579 177.064 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 10.5 mtm180 -70.94 -46.4 62.49 Favored 'General case' 0 C--N 1.375 1.689 0 C-N-CA 124.153 0.981 . . . . 2.54 112.349 174.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.322 19.0 mmm-85 -72.79 -22.25 60.86 Favored 'General case' 0 C--N 1.379 1.89 0 N-CA-C 113.22 0.822 . . . . 1.89 113.22 -178.034 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -73.64 -33.67 64.63 Favored 'General case' 0 C--N 1.38 1.91 0 C-N-CA 125.718 1.607 . . . . 0.83 113.034 169.26 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.8 mmm-85 -73.03 -29.11 62.76 Favored 'General case' 0 C--N 1.369 1.447 0 C-N-CA 126.083 1.753 . . . . 4.57 115.422 174.223 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 89.8 mm-40 -92.53 -29.13 16.36 Favored 'General case' 0 C--N 1.363 1.165 0 C-N-CA 126.217 1.807 . . . . 2.53 112.775 -179.011 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -158.49 172.42 18.35 Favored 'General case' 0 C--N 1.364 1.228 0 N-CA-C 107.862 -1.162 . . . . 2.04 107.862 179.522 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 60.9 mmt-85 -105.32 -38.66 6.43 Favored 'General case' 0 C--N 1.358 0.946 0 C-N-CA 126.046 1.738 . . . . 4.25 110.0 -176.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 -130.69 142.0 50.42 Favored 'General case' 0 C--N 1.359 1.012 0 C-N-CA 125.884 1.674 . . . . 5.9 107.028 -174.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -146.43 120.16 9.23 Favored 'General case' 0 CA--C 1.501 -0.925 0 N-CA-C 103.272 -2.862 . . . . 1.23 103.272 -172.419 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 10.7 m -97.62 165.94 11.74 Favored 'General case' 0 C--N 1.366 1.311 0 C-N-CA 126.534 1.934 . . . . 2.04 108.698 -169.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -42.9 -36.82 1.73 Allowed Pre-proline 0 C--N 1.367 1.347 0 N-CA-C 121.402 3.853 . . . . 1.23 121.402 -170.113 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_exo -67.26 -32.76 32.5 Favored 'Trans proline' 0 C--N 1.361 1.193 0 C-N-CA 124.315 3.343 . . . . 1.03 115.064 174.619 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -102.86 -20.3 14.34 Favored 'General case' 0 C--N 1.362 1.118 0 C-N-CA 126.365 1.866 . . . . 1.7 114.785 177.124 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 43.0 ttp180 -80.17 -42.06 24.12 Favored 'General case' 0 C--N 1.374 1.663 0 C-N-CA 126.323 1.849 . . . . 3.04 111.712 -179.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -80.75 -20.11 43.45 Favored 'General case' 0 C--N 1.368 1.396 0 C-N-CA 126.43 1.892 . . . . 1.74 112.129 -178.323 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 44.5 t-80 -80.68 -27.66 37.0 Favored 'General case' 0 C--N 1.365 1.282 0 C-N-CA 128.102 2.561 . . . . 2.01 111.781 175.212 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -74.42 -31.4 62.3 Favored 'General case' 0 C--N 1.37 1.464 0 C-N-CA 128.169 2.588 . . . . 1.19 112.369 172.122 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -80.28 -27.02 38.64 Favored 'General case' 0 C--N 1.364 1.234 0 C-N-CA 127.669 2.388 . . . . 1.07 112.936 176.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 70.8 m -85.16 -26.3 26.91 Favored 'General case' 0 C--N 1.36 1.05 0 C-N-CA 126.099 1.76 . . . . 1.03 113.298 173.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 50.4 tp -74.4 -39.31 62.76 Favored 'General case' 0 C--N 1.362 1.139 0 C-N-CA 127.451 2.3 . . . . 2.35 112.462 176.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.4 pt -106.09 -17.86 7.41 Favored 'Isoleucine or valine' 0 C--N 1.366 1.295 0 C-N-CA 123.698 0.799 . . . . 1.07 112.136 -173.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 12.4 tpp180 87.89 66.54 0.01 OUTLIER 'General case' 0 C--N 1.373 1.606 0 C-N-CA 129.277 3.031 . . . . 3.61 114.047 169.055 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 87.0 mt -136.17 -167.58 2.07 Favored 'General case' 0 C--N 1.362 1.152 0 C-N-CA 124.18 0.992 . . . . 1.12 109.515 176.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 80.0 p -100.96 148.37 34.98 Favored Pre-proline 0 C--N 1.369 1.451 0 C-N-CA 128.084 2.554 . . . . 1.36 108.58 178.103 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_exo -59.42 -21.25 60.4 Favored 'Trans proline' 0 C--N 1.365 1.412 1 C-N-CA 126.474 4.783 . . . . 1.0 117.122 171.439 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.8 t -87.34 -31.48 20.14 Favored 'General case' 0 C--N 1.365 1.261 0 C-N-CA 126.041 1.737 . . . . 1.13 111.137 -175.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -83.13 -29.93 28.3 Favored 'General case' 0 C--N 1.37 1.466 0 CA-C-N 119.556 1.071 . . . . 1.04 112.633 178.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.2 p -69.54 -40.91 80.2 Favored 'Isoleucine or valine' 0 C--N 1.38 1.907 0 C-N-CA 124.52 1.128 . . . . 1.07 112.549 170.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.9 tppt? -57.87 -44.76 86.83 Favored 'General case' 0 C--N 1.371 1.526 0 C-N-CA 127.977 2.511 . . . . 1.54 114.058 173.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.303 4.8 mt -88.85 -6.35 10.76 Favored 'Isoleucine or valine' 0 C--N 1.367 1.348 0 N-CA-C 115.454 1.649 . . . . 1.32 115.454 179.536 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 40.1 t90 -75.03 -40.48 60.43 Favored 'General case' 0 C--N 1.378 1.831 0 CA-C-N 120.32 1.418 . . . . 0.28 111.342 166.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -80.74 -15.78 55.57 Favored 'General case' 0 C--N 1.367 1.366 0 C-N-CA 126.388 1.875 . . . . 0.46 113.361 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -79.0 -33.81 44.65 Favored 'General case' 0 C--N 1.361 1.068 0 C-N-CA 127.691 2.396 . . . . 1.34 112.57 171.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -94.9 -35.82 11.87 Favored 'General case' 0 C--N 1.367 1.336 0 C-N-CA 125.662 1.585 . . . . 0.56 114.652 -174.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -84.43 6.57 22.82 Favored 'General case' 0 C--N 1.364 1.209 0 N-CA-C 115.152 1.538 . . . . 2.39 115.152 -170.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . 0.352 0.0 OUTLIER -67.81 -48.37 66.44 Favored 'General case' 0 C--N 1.37 1.466 0 N-CA-C 117.736 2.495 . . . . 3.79 117.736 -177.674 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . 2.175 37.5 m-85 112.94 -79.44 0.0 OUTLIER 'General case' 0 C--N 1.361 1.078 0 CA-C-O 122.536 1.16 . . . . 6.38 108.887 174.137 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . 0.305 0.5 OUTLIER 84.15 36.54 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 127.731 2.413 . . . . 5.9 113.352 -118.872 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 4.0 m -101.11 -32.46 10.56 Favored 'General case' 0 C--N 1.372 1.564 0 C-N-CA 126.014 1.726 . . . . 3.68 115.011 -173.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.7 pttp -82.89 -22.0 34.08 Favored 'General case' 0 C--N 1.371 1.515 0 N-CA-C 116.863 2.171 . . . . 8.17 116.863 -154.14 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 6.7 tpp180 -136.7 -155.31 0.61 Allowed 'General case' 0 C--N 1.359 0.988 0 N-CA-C 105.73 -1.952 . . . . 11.25 105.73 -168.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -100.03 55.56 0.93 Allowed 'General case' 0 C--N 1.368 1.39 0 CA-C-O 123.033 1.397 . . . . 9.1 109.325 165.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -105.49 93.99 4.97 Favored 'General case' 0 N--CA 1.441 -0.878 0 C-N-CA 128.248 2.619 . . . . 9.58 106.129 169.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -139.35 56.05 1.67 Allowed 'General case' 0 N--CA 1.443 -0.794 0 N-CA-C 105.48 -2.044 . . . . 12.3 105.48 -178.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . 0.36 10.3 pt-20 -48.79 -51.68 27.92 Favored 'General case' 0 C--N 1.366 1.295 0 N-CA-C 121.189 3.774 . . . . 12.57 121.189 -170.833 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.529 ' HD2' ' H ' ' A' ' 71' ' ' LYS . 0.0 OUTLIER -102.48 122.74 44.92 Favored 'General case' 0 C--N 1.372 1.575 0 CA-C-N 122.904 2.593 . . . . 16.33 109.181 167.752 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 133.46 -52.2 0.83 Allowed Glycine 0 C--N 1.356 1.651 0 N-CA-C 107.8 -2.12 . . . . 15.41 107.8 175.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -75.4 -18.79 59.84 Favored 'General case' 0 C--N 1.365 1.258 0 C-N-CA 127.819 2.448 . . . . 13.81 116.264 -173.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -100.66 62.59 1.04 Allowed 'General case' 0 C--N 1.356 0.855 0 C-N-CA 129.085 2.954 . . . . 14.6 107.291 177.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 174.97 -83.52 0.07 OUTLIER Glycine 0 C--N 1.353 1.501 0 N-CA-C 105.166 -3.174 . . . . 15.93 105.166 -173.032 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 62.8 t-80 -113.13 101.04 52.89 Favored Pre-proline 0 C--N 1.365 1.24 0 C-N-CA 125.458 1.503 . . . . 18.34 107.13 172.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo . . . . . 0 C--O 1.262 1.682 0 C-N-CA 123.724 2.949 . . . . 17.68 109.647 175.904 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.426 0 N-CA-C 111.593 0.22 . . . . 17.23 111.593 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.1 m -134.15 -41.84 0.81 Allowed 'General case' 0 C--N 1.362 1.142 0 N-CA-C 106.427 -1.694 . . . . 16.87 106.427 176.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 52.8 m-20 -131.54 100.35 5.11 Favored 'General case' 0 C--N 1.361 1.097 0 N-CA-C 105.921 -1.881 . . . . 17.01 105.921 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.41 -142.94 4.06 Favored Glycine 0 C--N 1.357 1.737 0 N-CA-C 107.043 -2.423 . . . . 15.79 107.043 178.493 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.438 ' H ' ' HD2' ' A' ' 6' ' ' PRO 0.251 21.3 mt -119.71 -50.69 0.04 OUTLIER Pre-proline 0 C--N 1.361 1.093 0 C-N-CA 126.845 2.058 . . . . 16.2 108.827 173.497 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.438 ' HD2' ' H ' ' A' ' 5' ' ' LEU . 61.0 Cg_endo -77.44 130.26 10.77 Favored 'Trans proline' 0 C--N 1.368 1.557 0 C-N-CA 124.552 3.502 . . . . 14.32 109.694 160.026 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -141.49 -165.63 2.02 Favored 'General case' 0 C--N 1.358 0.965 0 N-CA-C 108.078 -1.082 . . . . 15.54 108.078 -164.154 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.414 ' HG2' ' H ' ' A' ' 9' ' ' LYS . 15.5 ttpp -139.08 -157.72 0.79 Allowed 'General case' 0 C--N 1.359 1.0 0 N-CA-C 105.285 -2.117 . . . . 17.23 105.285 176.437 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.414 ' H ' ' HG2' ' A' ' 8' ' ' LYS . 16.4 tppt? -114.56 73.99 0.85 Allowed 'General case' 0 C--N 1.362 1.114 0 C-N-CA 126.163 1.785 . . . . 14.38 107.191 -175.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 64.4 mtm180 -138.97 -52.56 0.56 Allowed 'General case' 0 C--N 1.359 1.012 0 N-CA-C 105.593 -2.003 . . . . 13.85 105.593 179.021 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -116.53 92.36 3.85 Favored 'General case' 0 C--N 1.362 1.13 0 N-CA-C 105.149 -2.167 . . . . 13.21 105.149 173.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 28.3 ttp85 -60.15 117.16 4.81 Favored 'General case' 0 C--N 1.364 1.213 0 C-N-CA 130.223 3.409 . . . . 10.61 118.361 -162.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 45.8 mmm-85 -105.32 -171.22 1.87 Allowed 'General case' 0 C--N 1.36 1.054 0 C-N-CA 128.807 2.843 . . . . 8.2 107.546 179.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.348 37.4 t -97.4 21.03 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.435 -1.187 1 C-N-CA 132.339 4.256 . . . . 4.36 110.426 -173.478 . . . . . . . . 3 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -83.17 113.46 20.67 Favored 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 128.87 2.868 . . . . 5.24 110.717 -175.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -105.14 152.84 22.31 Favored 'General case' 0 C--N 1.363 1.159 0 C-N-CA 126.426 1.891 . . . . 1.53 111.843 -170.241 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 27.3 m -111.85 -170.1 1.59 Allowed 'General case' 0 C--N 1.365 1.248 0 C-N-CA 126.834 2.053 . . . . 1.31 107.214 167.046 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.37 -7.79 56.65 Favored 'General case' 0 C--N 1.369 1.419 0 C-N-CA 126.927 2.091 . . . . 3.73 116.206 -168.448 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -82.59 -38.2 23.97 Favored 'General case' 0 C--N 1.364 1.238 0 C-N-CA 126.432 1.893 . . . . 1.13 112.419 171.076 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 45.7 mm-40 -77.96 -42.64 32.24 Favored 'General case' 0 C--N 1.368 1.385 0 C-N-CA 127.562 2.345 . . . . 0.86 111.326 -173.125 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 77.9 p -68.38 -36.49 79.24 Favored 'General case' 0 C--N 1.372 1.584 0 C-N-CA 127.484 2.314 . . . . 1.12 112.524 178.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 54.0 t80 -63.34 -51.92 63.97 Favored 'General case' 0 C--N 1.371 1.501 0 C-N-CA 129.346 3.058 . . . . 1.22 112.917 178.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -73.23 -34.79 66.08 Favored 'General case' 0 C--N 1.361 1.068 0 N-CA-C 115.237 1.569 . . . . 1.06 115.237 -176.555 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 84.5 mt -69.25 -43.03 74.8 Favored 'General case' 0 C--N 1.366 1.303 0 C-N-CA 126.114 1.765 . . . . 1.05 114.456 176.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -69.86 -32.27 70.56 Favored 'General case' 0 C--N 1.363 1.171 0 C-N-CA 126.05 1.74 . . . . 1.66 115.433 174.082 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.7 ptm180 -80.05 -27.69 39.38 Favored 'General case' 0 C--N 1.369 1.442 0 N-CA-C 115.39 1.626 . . . . 2.54 115.39 -177.204 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.266 33.1 mmm-85 -74.8 -28.44 60.72 Favored 'General case' 0 C--N 1.372 1.57 0 C-N-CA 124.309 1.044 . . . . 1.89 112.073 165.098 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -68.88 -33.74 74.28 Favored 'General case' 0 C--N 1.375 1.713 0 C-N-CA 126.146 1.778 . . . . 0.83 113.983 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 37.4 mmt-85 -81.72 -15.27 54.93 Favored 'General case' 0 C--N 1.363 1.18 0 C-N-CA 124.887 1.275 . . . . 4.57 114.217 -178.518 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 88.8 mm-40 -95.2 -29.67 14.41 Favored 'General case' 0 C--N 1.369 1.431 0 C-N-CA 125.943 1.697 . . . . 2.53 113.058 172.046 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -164.97 154.57 13.13 Favored 'General case' 0 C--N 1.365 1.26 0 N-CA-C 105.351 -2.092 . . . . 2.04 105.351 -168.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 83.3 mtt-85 -102.83 -34.47 8.98 Favored 'General case' 0 C--N 1.362 1.141 0 O-C-N 120.842 -1.161 . . . . 4.25 108.915 -178.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 44.6 p90 -115.37 142.68 46.37 Favored 'General case' 0 N--CA 1.441 -0.925 0 C-N-CA 127.089 2.156 . . . . 5.9 107.611 -178.17 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -150.5 121.82 7.85 Favored 'General case' 0 CA--C 1.497 -1.066 0 N-CA-C 102.466 -3.161 . . . . 1.23 102.466 -173.121 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 26.1 p -87.23 167.48 14.07 Favored 'General case' 0 C--N 1.366 1.305 0 C-N-CA 127.406 2.282 . . . . 2.04 110.008 -170.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.48 -35.53 16.3 Favored Pre-proline 0 C--N 1.366 1.32 0 N-CA-C 120.059 3.355 . . . . 1.23 120.059 -172.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -67.69 -31.07 33.5 Favored 'Trans proline' 0 C--N 1.362 1.237 0 C-N-CA 124.318 3.345 . . . . 1.03 115.281 173.369 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -100.15 -21.23 15.62 Favored 'General case' 0 C--N 1.363 1.162 0 C-N-CA 126.559 1.943 . . . . 1.7 114.4 177.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 35.4 ttm180 -79.58 -41.98 25.99 Favored 'General case' 0 C--N 1.373 1.606 0 C-N-CA 127.063 2.145 . . . . 3.04 111.282 -178.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -81.38 -20.43 40.54 Favored 'General case' 0 C--N 1.369 1.433 0 C-N-CA 126.995 2.118 . . . . 1.74 112.224 -177.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 47.9 t-80 -81.65 -27.16 34.24 Favored 'General case' 0 C--N 1.366 1.286 0 C-N-CA 128.225 2.61 . . . . 2.01 111.634 175.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -75.3 -32.12 60.89 Favored 'General case' 0 C--N 1.369 1.433 0 C-N-CA 128.169 2.588 . . . . 1.19 112.488 172.032 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.27 -25.96 36.14 Favored 'General case' 0 C--N 1.364 1.223 0 C-N-CA 127.727 2.411 . . . . 1.07 113.021 177.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 69.5 m -85.15 -27.1 26.43 Favored 'General case' 0 C--N 1.359 1.007 0 C-N-CA 125.955 1.702 . . . . 1.03 113.085 173.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.0 tt -72.89 -40.49 65.53 Favored 'General case' 0 C--N 1.363 1.183 0 C-N-CA 127.774 2.43 . . . . 2.35 112.581 175.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.3 pt -106.0 -17.27 7.72 Favored 'Isoleucine or valine' 0 C--N 1.365 1.252 0 C-N-CA 123.812 0.845 . . . . 1.07 111.887 -173.296 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 22.8 tpt180 91.22 61.86 0.0 OUTLIER 'General case' 0 C--N 1.374 1.631 0 C-N-CA 129.436 3.094 . . . . 3.61 114.377 163.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 68.8 mt -131.83 -168.08 1.97 Allowed 'General case' 0 C--N 1.365 1.252 0 O-C-N 121.239 -0.913 . . . . 1.12 111.425 -178.405 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 64.4 p -98.32 147.6 33.35 Favored Pre-proline 0 C--N 1.371 1.511 0 C-N-CA 128.066 2.546 . . . . 1.36 108.803 175.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_exo -61.83 -18.46 60.98 Favored 'Trans proline' 0 C--N 1.366 1.454 1 C-N-CA 126.171 4.58 . . . . 1.0 116.576 172.58 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.6 t -88.25 -30.84 19.38 Favored 'General case' 0 C--N 1.365 1.247 0 C-N-CA 126.683 1.993 . . . . 1.13 111.332 -176.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -83.12 -31.44 27.23 Favored 'General case' 0 C--N 1.371 1.535 0 CA-C-N 119.845 1.202 . . . . 1.04 112.161 178.159 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.1 p -67.69 -42.0 85.97 Favored 'Isoleucine or valine' 0 C--N 1.382 1.993 0 C-N-CA 124.237 1.015 . . . . 1.07 112.907 169.511 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.08 -48.66 73.22 Favored 'General case' 0 C--N 1.372 1.555 0 C-N-CA 127.075 2.15 . . . . 1.54 115.781 172.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.288 5.9 mt -86.56 -8.48 11.08 Favored 'Isoleucine or valine' 0 C--N 1.366 1.305 0 N-CA-C 114.961 1.467 . . . . 1.32 114.961 -178.511 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 34.1 t90 -74.28 -42.65 59.23 Favored 'General case' 0 C--N 1.379 1.866 0 CA-C-N 120.097 1.317 . . . . 0.28 111.325 166.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -83.64 -10.88 57.91 Favored 'General case' 0 C--N 1.368 1.377 0 C-N-CA 126.166 1.786 . . . . 0.46 113.766 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -76.58 -42.1 43.92 Favored 'General case' 0 C--N 1.359 0.984 0 C-N-CA 127.345 2.258 . . . . 1.34 112.294 170.301 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -91.69 -23.13 19.9 Favored 'General case' 0 C--N 1.366 1.31 0 C-N-CA 125.71 1.604 . . . . 0.56 113.9 -173.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 2.3 m80 -86.56 -17.01 35.1 Favored 'General case' 0 C--N 1.364 1.234 0 N-CA-C 115.457 1.651 . . . . 2.39 115.457 -175.208 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -89.67 69.56 7.75 Favored 'General case' 0 C--N 1.369 1.452 0 C-N-CA 127.741 2.417 . . . . 3.79 108.049 155.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 4.7 p90 -169.87 113.88 0.5 Allowed 'General case' 0 N--CA 1.424 -1.734 1 C-N-CA 132.896 4.479 . . . . 6.38 105.045 34.2 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . 2.124 13.9 mmmm -68.09 -29.91 68.97 Favored 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 127.04 2.136 . . . . 5.9 115.322 123.333 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . 0.323 19.1 p -95.68 -104.25 0.16 Allowed 'General case' 0 C--N 1.364 1.202 0 C-N-CA 126.555 1.942 . . . . 3.68 115.73 -150.158 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 44.5 pttt -90.88 91.28 8.28 Favored 'General case' 0 C--N 1.378 1.837 0 C-N-CA 130.249 3.42 . . . . 8.17 107.088 -178.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 14.0 mmm180 -54.63 111.15 0.75 Allowed 'General case' 0 C--N 1.349 0.587 1 C-N-CA 132.436 4.295 . . . . 11.25 114.716 -173.704 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -100.26 117.45 34.51 Favored 'General case' 0 C--N 1.362 1.12 0 C-N-CA 127.276 2.23 . . . . 9.1 106.22 173.025 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 38.5 mm-40 -101.35 90.45 4.1 Favored 'General case' 0 C--N 1.362 1.12 0 CA-C-O 123.002 1.382 . . . . 9.58 109.837 -169.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.568 HD22 ' HB2' ' A' ' 73' ' ' TYR . 1.4 p-10 -121.9 27.99 7.82 Favored 'General case' 0 CA--C 1.508 -0.659 0 C-N-CA 127.663 2.385 . . . . 12.3 113.106 -169.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -85.33 140.87 30.46 Favored 'General case' 0 C--N 1.357 0.933 0 C-N-CA 127.628 2.371 . . . . 12.57 107.74 147.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -94.92 127.79 41.22 Favored 'General case' 0 C--N 1.346 0.437 0 C-N-CA 131.268 3.827 . . . . 16.33 108.926 -10.492 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 173.04 -76.61 0.09 OUTLIER Glycine 0 C--N 1.358 1.781 0 N-CA-C 108.996 -1.642 . . . . 15.41 108.996 -175.095 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.568 ' HB2' HD22 ' A' ' 69' ' ' ASN . 14.3 m-85 -77.04 -18.65 57.97 Favored 'General case' 0 C--N 1.354 0.79 0 C-N-CA 130.531 3.532 . . . . 13.81 117.199 -166.519 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 33.6 mp0 -101.03 63.24 1.0 Allowed 'General case' 0 C--N 1.353 0.733 0 C-N-CA 128.06 2.544 . . . . 14.6 109.812 176.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 111.94 -104.84 1.71 Allowed Glycine 0 C--N 1.361 1.936 0 N-CA-C 108.457 -1.857 . . . . 15.93 108.457 -179.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 77.3 m80 -140.89 157.23 67.89 Favored Pre-proline 0 C--N 1.359 1.016 0 N-CA-C 105.628 -1.99 . . . . 18.34 105.628 -179.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo . . . . . 0 C--O 1.263 1.731 0 C-N-CA 123.861 3.041 . . . . 17.68 109.376 173.311 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.132 0 CA-C-O 121.18 0.514 . . . . 17.23 111.161 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.2 m -148.32 -132.84 0.06 Allowed 'General case' 0 C--N 1.363 1.173 0 N-CA-C 103.849 -2.648 . . . . 16.87 103.849 177.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -149.87 65.67 0.98 Allowed 'General case' 0 C--N 1.358 0.945 0 N-CA-C 103.451 -2.796 . . . . 17.01 103.451 175.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.56 -135.19 3.46 Favored Glycine 0 C--N 1.355 1.59 0 N-CA-C 106.921 -2.472 . . . . 15.79 106.921 -176.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 35.4 mt -124.3 90.13 51.16 Favored Pre-proline 0 C--N 1.361 1.102 0 CA-C-O 116.949 -1.501 . . . . 16.2 108.181 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -80.9 124.94 5.21 Favored 'Trans proline' 0 C--N 1.366 1.483 0 C-N-CA 123.759 2.973 . . . . 14.32 109.732 166.307 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -114.02 45.14 1.53 Allowed 'General case' 0 C--N 1.361 1.104 0 C-N-CA 125.581 1.553 . . . . 15.54 109.018 -167.085 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -160.62 -36.78 0.05 Allowed 'General case' 0 C--N 1.357 0.919 0 N-CA-C 107.003 -1.48 . . . . 17.23 107.003 -176.149 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 60.8 tttm -93.68 -62.17 1.41 Allowed 'General case' 0 C--N 1.365 1.254 0 C-N-CA 126.382 1.873 . . . . 14.38 110.224 -174.539 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 2.45 14.5 ptt180 122.85 161.0 0.0 OUTLIER 'General case' 0 C--N 1.36 1.05 0 N-CA-C 105.368 -2.086 . . . . 13.85 105.368 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.574 ' HB3' ' HA ' ' A' ' 12' ' ' ARG 0.304 2.7 tmtp? -128.44 -85.17 0.57 Allowed 'General case' 0 C--N 1.361 1.096 0 CA-C-O 117.282 -1.342 . . . . 13.21 108.889 -172.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.574 ' HA ' ' HB3' ' A' ' 11' ' ' LYS 2.43 35.3 ttt180 77.48 112.39 0.07 Allowed 'General case' 0 C--N 1.373 1.596 1 C-N-CA 137.285 6.234 . . . . 10.61 115.007 -3.884 . . . . . . . . 4 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . 2.159 0.0 OUTLIER -43.07 -125.15 0.0 OUTLIER 'General case' 0 C--N 1.365 1.258 1 C-N-CA 134.262 5.025 . . . . 8.2 121.612 -169.406 . . . . . . . . 4 3 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.6 m -91.27 149.25 4.14 Favored 'Isoleucine or valine' 0 C--N 1.353 0.72 0 C-N-CA 130.097 3.359 . . . . 4.36 108.292 -177.203 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -168.57 138.33 2.38 Favored 'General case' 0 C--N 1.357 0.906 0 N-CA-C 107.119 -1.438 . . . . 5.24 107.119 -176.695 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . 2.264 75.5 m-85 -34.52 -17.65 0.0 OUTLIER 'General case' 0 C--N 1.372 1.56 2 C-N-CA 134.753 5.221 . . . . 1.53 124.277 -175.532 . . . . . . . . 3 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 13.3 m -73.79 -178.43 3.19 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 129.699 3.2 . . . . 1.31 115.974 -136.265 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 50.1 pttt -78.59 6.33 8.96 Favored 'General case' 0 C--N 1.373 1.599 0 C-N-CA 127.502 2.321 . . . . 3.73 115.417 -173.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.31 -52.47 5.87 Favored 'General case' 0 C--N 1.361 1.082 0 C-N-CA 127.195 2.198 . . . . 1.13 110.847 160.402 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 44.4 mm-40 -66.64 -50.28 63.47 Favored 'General case' 0 C--N 1.375 1.706 0 C-N-CA 128.804 2.841 . . . . 0.86 113.494 -177.018 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 59.9 p -70.48 -35.2 73.14 Favored 'General case' 0 C--N 1.366 1.298 0 C-N-CA 126.953 2.101 . . . . 1.12 113.26 -178.049 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 51.8 t80 -64.44 -49.74 70.27 Favored 'General case' 0 C--N 1.367 1.361 0 C-N-CA 127.748 2.419 . . . . 1.22 113.273 178.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -74.4 -34.75 63.37 Favored 'General case' 0 C--N 1.358 0.958 0 N-CA-C 115.326 1.602 . . . . 1.06 115.326 -176.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 90.3 mt -70.79 -43.36 68.86 Favored 'General case' 0 C--N 1.363 1.164 0 C-N-CA 126.1 1.76 . . . . 1.05 114.486 177.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 75.9 mt-10 -69.34 -32.62 71.83 Favored 'General case' 0 C--N 1.363 1.191 0 C-N-CA 127.222 2.209 . . . . 1.66 115.404 173.286 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.8 ptm180 -79.04 -27.01 43.13 Favored 'General case' 0 C--N 1.369 1.431 0 N-CA-C 115.016 1.487 . . . . 2.54 115.016 -178.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 38.0 mmm-85 -76.18 -30.25 57.98 Favored 'General case' 0 C--N 1.368 1.407 0 C-N-CA 124.158 0.983 . . . . 1.89 112.334 164.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -68.1 -34.23 76.01 Favored 'General case' 0 C--N 1.375 1.708 0 C-N-CA 126.879 2.072 . . . . 0.83 114.037 -174.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 45.6 mmt-85 -77.24 -21.44 53.74 Favored 'General case' 0 C--N 1.364 1.203 0 C-N-CA 125.454 1.502 . . . . 4.57 114.766 178.12 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 65.3 tp60 -94.04 -27.99 15.99 Favored 'General case' 0 N--CA 1.433 -1.315 0 C-N-CA 128.344 2.657 . . . . 2.53 112.53 178.391 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -171.15 152.83 3.53 Favored 'General case' 0 C--N 1.367 1.362 0 N-CA-C 107.024 -1.473 . . . . 2.04 107.024 -168.066 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 23.8 mmt85 -105.07 -34.62 7.91 Favored 'General case' 0 C--N 1.361 1.099 0 C-N-CA 125.122 1.369 . . . . 4.25 110.369 -177.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 52.9 m-85 -122.89 139.74 53.72 Favored 'General case' 0 C--N 1.356 0.888 0 C-N-CA 125.379 1.471 . . . . 5.9 107.576 179.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -144.47 122.21 11.9 Favored 'General case' 0 CA--C 1.502 -0.894 0 N-CA-C 102.455 -3.165 . . . . 1.23 102.455 -169.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 25.6 p -86.8 165.85 15.68 Favored 'General case' 0 C--N 1.366 1.293 0 C-N-CA 127.73 2.412 . . . . 2.04 110.724 -170.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.63 -37.27 15.98 Favored Pre-proline 0 C--N 1.367 1.333 0 N-CA-C 120.683 3.586 . . . . 1.23 120.683 -170.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -67.7 -29.79 35.42 Favored 'Trans proline' 0 C--N 1.361 1.19 0 C-N-CA 124.337 3.358 . . . . 1.03 115.006 175.082 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -102.22 -21.04 14.44 Favored 'General case' 0 C--N 1.361 1.094 0 C-N-CA 126.605 1.962 . . . . 1.7 114.603 177.363 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 43.0 ttp180 -80.66 -41.67 23.41 Favored 'General case' 0 C--N 1.372 1.576 0 C-N-CA 126.453 1.901 . . . . 3.04 112.059 -178.439 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -80.42 -22.07 41.56 Favored 'General case' 0 C--N 1.367 1.344 0 C-N-CA 127.402 2.281 . . . . 1.74 111.861 -178.432 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 21.2 t60 -82.53 -26.23 32.68 Favored 'General case' 0 C--N 1.367 1.333 0 C-N-CA 127.84 2.456 . . . . 2.01 111.299 177.282 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -75.8 -31.65 59.54 Favored 'General case' 0 C--N 1.368 1.398 0 C-N-CA 128.423 2.689 . . . . 1.19 112.07 172.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.32 -28.53 42.15 Favored 'General case' 0 C--N 1.365 1.28 0 C-N-CA 128.067 2.547 . . . . 1.07 113.21 177.042 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 70.4 m -85.21 -25.06 27.57 Favored 'General case' 0 C--N 1.361 1.083 0 C-N-CA 126.053 1.741 . . . . 1.03 113.414 174.443 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -73.71 -41.52 62.46 Favored 'General case' 0 C--N 1.362 1.11 0 C-N-CA 127.628 2.371 . . . . 2.35 112.231 175.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.3 pt -105.64 -15.31 8.62 Favored 'Isoleucine or valine' 0 C--N 1.364 1.239 0 C-N-CA 123.768 0.827 . . . . 1.07 112.577 -171.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 7.9 tpp180 85.19 65.42 0.01 OUTLIER 'General case' 0 C--N 1.372 1.555 0 C-N-CA 128.748 2.819 . . . . 3.61 114.057 171.161 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 92.0 mt -136.25 -172.8 3.23 Favored 'General case' 0 C--N 1.363 1.173 0 O-C-N 121.436 -0.79 . . . . 1.12 109.485 175.087 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 81.9 p -94.48 147.21 32.87 Favored Pre-proline 0 C--N 1.371 1.521 0 C-N-CA 127.876 2.47 . . . . 1.36 108.758 177.036 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_exo -60.98 -21.62 71.98 Favored 'Trans proline' 0 C--N 1.364 1.344 1 C-N-CA 126.226 4.617 . . . . 1.0 116.52 172.659 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.4 t -88.45 -29.03 20.48 Favored 'General case' 0 C--N 1.366 1.311 0 C-N-CA 125.99 1.716 . . . . 1.13 111.281 -175.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -82.6 -32.23 28.51 Favored 'General case' 0 C--N 1.372 1.55 0 CA-C-N 119.672 1.124 . . . . 1.04 112.513 177.478 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.9 p -68.29 -42.35 84.38 Favored 'Isoleucine or valine' 0 C--N 1.38 1.901 0 C-N-CA 125.158 1.383 . . . . 1.07 112.708 172.641 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.31 -49.91 72.96 Favored 'General case' 0 C--N 1.372 1.577 0 C-N-CA 128.409 2.684 . . . . 1.54 114.105 172.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.285 6.1 mt -85.44 -5.28 9.66 Favored 'Isoleucine or valine' 0 C--N 1.367 1.33 0 N-CA-C 115.078 1.51 . . . . 1.32 115.078 -179.589 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 28.9 t90 -74.43 -43.17 57.43 Favored 'General case' 0 C--N 1.378 1.837 0 C-N-CA 125.586 1.554 . . . . 0.28 110.762 166.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -83.14 -15.64 49.92 Favored 'General case' 0 C--N 1.37 1.488 0 C-N-CA 125.703 1.601 . . . . 0.46 113.663 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -76.22 -36.96 58.33 Favored 'General case' 0 C--N 1.364 1.204 0 C-N-CA 127.354 2.261 . . . . 1.34 112.32 174.473 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 72.5 m-20 -89.26 -21.48 23.19 Favored 'General case' 0 C--N 1.365 1.241 0 C-N-CA 126.446 1.898 . . . . 0.56 113.292 -177.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 1.2 m80 -84.74 -21.09 30.17 Favored 'General case' 0 C--N 1.365 1.254 0 N-CA-C 115.879 1.807 . . . . 2.39 115.879 -172.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . 0.341 2.7 ppt_? -78.7 -35.4 45.04 Favored 'General case' 0 C--N 1.369 1.42 0 C-N-CA 124.586 1.154 . . . . 3.79 113.546 -179.038 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 24.8 p90 -164.47 118.24 1.37 Allowed 'General case' 0 N--CA 1.429 -1.487 0 N-CA-C 104.103 -2.555 . . . . 6.38 104.103 158.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 24.8 tptp -129.72 97.05 4.4 Favored 'General case' 0 N--CA 1.444 -0.769 0 N-CA-C 104.798 -2.297 . . . . 5.9 104.798 65.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . 0.294 1.2 p -42.44 80.56 0.0 OUTLIER 'General case' 0 C--N 1.374 1.651 1 C-N-CA 134.728 5.211 . . . . 3.68 117.243 -158.542 . . . . . . . . 3 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.0 ptmm? -88.75 -3.14 58.84 Favored 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 130.792 3.637 . . . . 8.17 114.96 -175.052 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.61 -53.1 2.61 Favored 'General case' 0 C--N 1.364 1.22 0 C-N-CA 125.357 1.463 . . . . 11.25 107.955 -178.631 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -99.98 90.81 4.53 Favored 'General case' 0 C--N 1.364 1.209 0 C-N-CA 125.342 1.457 . . . . 9.1 109.269 179.618 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -105.36 100.86 10.42 Favored 'General case' 0 CA--C 1.504 -0.812 0 C-N-CA 126.311 1.845 . . . . 9.58 108.054 178.586 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -141.22 66.8 1.36 Allowed 'General case' 0 CA--C 1.498 -1.045 0 N-CA-C 105.985 -1.857 . . . . 12.3 105.985 175.274 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -86.28 129.24 34.92 Favored 'General case' 0 C--N 1.365 1.248 0 C-N-CA 127.349 2.26 . . . . 12.57 107.157 150.398 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 25.9 pttm -49.12 116.22 1.6 Allowed 'General case' 0 C--N 1.354 0.782 0 C-N-CA 130.789 3.636 . . . . 16.33 118.38 -153.405 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 83.46 54.0 3.25 Favored Glycine 0 C--N 1.36 1.861 0 C-N-CA 129.748 3.547 . . . . 15.41 113.298 -178.305 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -75.97 -45.76 33.19 Favored 'General case' 0 C--N 1.366 1.305 0 C-N-CA 127.098 2.159 . . . . 13.81 115.695 -175.345 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 36.3 mp0 -97.77 47.1 1.01 Allowed 'General case' 0 N--CA 1.446 -0.659 0 C-N-CA 129.012 2.925 . . . . 14.6 110.867 -178.376 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 139.83 99.81 0.44 Allowed Glycine 0 C--N 1.359 1.828 0 N-CA-C 106.568 -2.613 . . . . 15.93 106.568 -178.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 70.2 m80 -91.92 -40.7 0.37 Allowed Pre-proline 0 C--N 1.364 1.2 0 C-N-CA 126.373 1.869 . . . . 18.34 112.895 179.392 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo . . . . . 0 C--O 1.263 1.771 0 CA-C-N 124.821 2.758 . . . . 17.68 111.17 172.901 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.492 0 N-CA-C 112.089 0.403 . . . . 17.23 112.089 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.5 m -139.71 -20.48 0.91 Allowed 'General case' 0 C--N 1.362 1.113 0 C-N-CA 125.168 1.387 . . . . 16.87 107.828 179.486 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -155.11 113.58 3.52 Favored 'General case' 0 C--N 1.359 1.006 0 N-CA-C 104.374 -2.454 . . . . 17.01 104.374 178.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.31 -136.33 4.11 Favored Glycine 0 C--N 1.355 1.588 0 N-CA-C 105.985 -2.846 . . . . 15.79 105.985 -177.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . 0.262 16.3 mt -117.62 -54.66 0.04 OUTLIER Pre-proline 0 C--N 1.362 1.129 0 CA-C-O 116.573 -1.68 . . . . 16.2 109.255 175.18 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -83.5 95.54 0.78 Allowed 'Trans proline' 0 C--N 1.367 1.519 0 C-N-CA 124.15 3.234 . . . . 14.32 109.849 169.339 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -107.09 -134.93 0.35 Allowed 'General case' 0 C--N 1.361 1.081 0 C-N-CA 126.012 1.725 . . . . 15.54 109.179 -176.595 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.5 tppt? -151.69 -59.64 0.16 Allowed 'General case' 0 C--N 1.356 0.877 0 N-CA-C 105.724 -1.954 . . . . 17.23 105.724 -171.506 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.5 tppt? -153.06 63.23 0.77 Allowed 'General case' 0 C--N 1.359 0.991 0 N-CA-C 105.564 -2.013 . . . . 14.38 105.564 -172.466 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.01 -41.98 0.1 Allowed 'General case' 0 C--N 1.357 0.927 0 N-CA-C 106.165 -1.791 . . . . 13.85 106.165 -179.081 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -125.09 18.79 8.39 Favored 'General case' 0 C--N 1.363 1.169 0 C-N-CA 125.314 1.446 . . . . 13.21 107.779 168.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 17.6 ttp180 42.76 85.12 0.02 OUTLIER 'General case' 0 C--N 1.369 1.434 1 C-N-CA 132.17 4.188 . . . . 10.61 119.148 172.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.407 ' HB2' HD22 ' A' ' 15' ' ' LEU . 13.9 mmm180 -97.13 158.48 15.42 Favored 'General case' 0 C--N 1.36 1.036 0 C-N-CA 124.966 1.306 . . . . 8.2 111.305 -176.221 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.329 11.6 t -112.9 20.93 6.39 Favored 'Isoleucine or valine' 0 C--N 1.363 1.181 0 C-N-CA 130.192 3.397 . . . . 4.36 109.028 -159.594 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.407 HD22 ' HB2' ' A' ' 13' ' ' ARG . 0.9 OUTLIER -76.63 106.25 8.18 Favored 'General case' 0 N--CA 1.466 0.375 0 C-N-CA 129.205 3.002 . . . . 5.24 113.356 -172.505 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -105.02 151.52 23.85 Favored 'General case' 0 C--N 1.365 1.275 0 C-N-CA 126.413 1.885 . . . . 1.53 112.032 -170.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 30.1 m -114.31 -168.38 1.35 Allowed 'General case' 0 C--N 1.364 1.227 0 C-N-CA 126.942 2.097 . . . . 1.31 106.72 163.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.14 -11.85 60.17 Favored 'General case' 0 C--N 1.367 1.354 0 C-N-CA 127.028 2.131 . . . . 3.73 116.608 -168.076 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -80.22 -36.17 35.13 Favored 'General case' 0 C--N 1.365 1.278 0 C-N-CA 126.536 1.935 . . . . 1.13 112.584 172.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 45.6 mm-40 -77.44 -42.96 34.08 Favored 'General case' 0 C--N 1.368 1.38 0 C-N-CA 127.879 2.472 . . . . 0.86 111.111 -173.409 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 82.0 p -70.41 -35.17 73.28 Favored 'General case' 0 C--N 1.371 1.513 0 C-N-CA 127.181 2.193 . . . . 1.12 112.447 178.535 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -62.79 -50.84 69.43 Favored 'General case' 0 C--N 1.372 1.562 0 C-N-CA 128.906 2.882 . . . . 1.22 112.959 177.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.451 ' HB3' HD21 ' A' ' 42' ' ' LEU . 75.3 mm-40 -74.04 -37.49 64.3 Favored 'General case' 0 C--N 1.359 0.982 0 C-N-CA 125.905 1.682 . . . . 1.06 115.377 -175.571 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 80.6 mt -67.85 -44.58 76.84 Favored 'General case' 0 C--N 1.368 1.389 0 C-N-CA 126.104 1.761 . . . . 1.05 114.255 177.183 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -68.29 -30.32 69.3 Favored 'General case' 0 C--N 1.364 1.213 0 C-N-CA 126.36 1.864 . . . . 1.66 114.784 173.466 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . 0.312 3.6 ptm180 -72.14 -49.2 37.77 Favored 'General case' 0 C--N 1.373 1.6 0 N-CA-C 116.228 1.936 . . . . 2.54 116.228 -179.664 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.489 0.0 OUTLIER -86.0 13.05 8.16 Favored 'General case' 0 C--N 1.378 1.81 0 N-CA-C 115.282 1.586 . . . . 1.89 115.282 169.85 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -84.75 -40.29 17.45 Favored 'General case' 0 C--N 1.381 1.975 0 N-CA-C 115.656 1.725 . . . . 0.83 115.656 152.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 26.4 mmt-85 -82.46 -32.59 28.84 Favored 'General case' 0 C--N 1.367 1.359 0 CA-C-N 120.288 1.404 . . . . 4.57 114.48 -170.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -96.95 -7.69 32.54 Favored 'General case' 0 C--N 1.367 1.35 0 C-N-CA 124.884 1.274 . . . . 2.53 112.428 -179.277 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -168.42 152.79 6.05 Favored 'General case' 0 C--N 1.363 1.164 0 N-CA-C 105.541 -2.022 . . . . 2.04 105.541 -176.376 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 89.5 mtt-85 -104.21 -33.09 8.82 Favored 'General case' 0 C--N 1.361 1.072 0 C-N-CA 124.73 1.212 . . . . 4.25 108.87 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 33.6 p90 -105.87 137.89 42.99 Favored 'General case' 0 N--CA 1.441 -0.921 0 C-N-CA 127.701 2.401 . . . . 5.9 108.281 176.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.429 ' N ' HD13 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -149.81 112.76 4.84 Favored 'General case' 0 CA--C 1.502 -0.903 1 N-CA-C 98.793 -4.521 . . . . 1.23 98.793 -173.562 . . . . . . . . 4 4 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 27.3 p -91.57 170.65 9.76 Favored 'General case' 0 C--N 1.372 1.551 0 C-N-CA 126.81 2.044 . . . . 2.04 108.574 -163.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.91 -37.77 44.57 Favored Pre-proline 0 C--N 1.366 1.298 0 N-CA-C 119.466 3.136 . . . . 1.23 119.466 -172.308 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_exo -68.9 -18.93 40.94 Favored 'Trans proline' 0 C--N 1.361 1.226 0 C-N-CA 124.607 3.538 . . . . 1.03 115.844 170.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -110.81 -25.63 9.78 Favored 'General case' 0 C--N 1.362 1.151 0 C-N-CA 126.584 1.954 . . . . 1.7 115.72 177.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 38.0 ttm180 -79.85 -41.45 26.29 Favored 'General case' 0 C--N 1.372 1.579 0 C-N-CA 128.546 2.738 . . . . 3.04 110.417 178.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -84.35 -22.66 30.48 Favored 'General case' 0 C--N 1.371 1.535 0 C-N-CA 126.064 1.746 . . . . 1.74 112.412 -177.221 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 47.5 t-80 -85.06 -22.66 28.88 Favored 'General case' 0 C--N 1.365 1.27 0 C-N-CA 127.905 2.482 . . . . 2.01 111.194 177.547 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.451 HD21 ' HB3' ' A' ' 23' ' ' GLU . 3.1 tm? -70.55 -37.71 74.07 Favored 'General case' 0 C--N 1.366 1.304 0 C-N-CA 129.277 3.031 . . . . 1.19 112.092 168.433 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -77.22 -27.41 53.43 Favored 'General case' 0 C--N 1.362 1.137 0 C-N-CA 128.089 2.556 . . . . 1.07 113.746 176.344 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 60.0 m -85.23 -30.93 23.45 Favored 'General case' 0 C--N 1.36 1.057 0 C-N-CA 125.454 1.502 . . . . 1.03 113.893 175.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 39.8 tp -78.77 -33.61 46.25 Favored 'General case' 0 C--N 1.362 1.15 0 C-N-CA 126.926 2.09 . . . . 2.35 112.271 179.171 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -100.3 -21.41 5.13 Favored 'Isoleucine or valine' 0 C--N 1.367 1.353 0 C-N-CA 124.335 1.054 . . . . 1.07 111.173 -176.666 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 21.1 tpt180 91.5 60.43 0.0 OUTLIER 'General case' 0 C--N 1.373 1.597 0 C-N-CA 129.25 3.02 . . . . 3.61 113.961 163.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 73.2 mt -131.41 -164.9 1.5 Allowed 'General case' 0 C--N 1.362 1.131 0 C-N-CA 124.103 0.961 . . . . 1.12 109.983 178.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 70.2 p -99.16 147.17 32.9 Favored Pre-proline 0 C--N 1.369 1.429 0 C-N-CA 127.449 2.3 . . . . 1.36 108.906 174.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -60.99 -18.85 60.08 Favored 'Trans proline' 0 C--N 1.365 1.397 1 C-N-CA 126.21 4.607 . . . . 1.0 116.897 170.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.8 t -88.34 -28.83 20.75 Favored 'General case' 0 C--N 1.365 1.24 0 C-N-CA 127.036 2.135 . . . . 1.13 111.29 -177.242 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -84.56 -31.51 24.34 Favored 'General case' 0 C--N 1.373 1.592 0 CA-C-N 119.938 1.245 . . . . 1.04 112.363 177.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.7 p -67.03 -41.77 87.71 Favored 'Isoleucine or valine' 0 C--N 1.383 2.055 0 C-N-CA 124.348 1.059 . . . . 1.07 112.52 168.42 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.14 -49.12 72.6 Favored 'General case' 0 C--N 1.368 1.408 0 C-N-CA 126.876 2.07 . . . . 1.54 115.868 172.678 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.303 6.5 mt -86.88 -7.19 10.89 Favored 'Isoleucine or valine' 0 C--N 1.367 1.361 0 N-CA-C 115.496 1.665 . . . . 1.32 115.496 -178.278 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 50.7 t90 -73.94 -41.86 61.42 Favored 'General case' 0 C--N 1.377 1.795 0 CA-C-N 119.872 1.215 . . . . 0.28 110.884 164.278 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -82.11 -18.64 42.26 Favored 'General case' 0 C--N 1.368 1.389 0 C-N-CA 126.301 1.84 . . . . 0.46 113.379 179.586 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -75.69 -36.67 59.97 Favored 'General case' 0 C--N 1.368 1.39 0 C-N-CA 127.5 2.32 . . . . 1.34 112.55 177.186 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -88.01 -17.68 30.65 Favored 'General case' 0 C--N 1.363 1.187 0 C-N-CA 126.326 1.85 . . . . 0.56 113.077 179.608 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -85.28 -27.04 26.25 Favored 'General case' 0 C--N 1.365 1.269 0 C-N-CA 125.981 1.712 . . . . 2.39 114.439 -175.1 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.29 42.17 0.93 Allowed 'General case' 0 C--N 1.367 1.348 0 C-N-CA 126.624 1.969 . . . . 3.79 114.258 -174.695 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.406 ' HB2' ' H ' ' A' ' 63' ' ' LYS 2.482 0.0 OUTLIER 134.68 115.61 0.0 OUTLIER 'General case' 0 C--N 1.368 1.396 0 N-CA-C 101.174 -3.639 . . . . 6.38 101.174 -176.991 . . . . . . . . 4 4 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.406 ' H ' ' HB2' ' A' ' 62' ' ' TYR 2.43 5.0 mptt 143.97 -40.53 0.01 OUTLIER 'General case' 0 N--CA 1.432 -1.348 0 C-N-CA 131.592 3.957 . . . . 5.9 103.844 -169.518 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . 0.359 7.1 p -84.52 -102.26 0.05 Allowed 'General case' 0 C--N 1.374 1.644 0 C-N-CA 127.379 2.271 . . . . 3.68 112.862 -172.131 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -90.69 -122.34 0.07 Allowed 'General case' 0 C--N 1.371 1.52 0 C-N-CA 127.034 2.134 . . . . 8.17 109.576 168.475 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 -154.97 148.44 25.19 Favored 'General case' 0 C--N 1.354 0.782 0 N-CA-C 108.036 -1.098 . . . . 11.25 108.036 179.344 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -100.9 101.98 12.91 Favored 'General case' 0 C--N 1.362 1.134 0 C-N-CA 126.893 2.077 . . . . 9.1 107.098 158.31 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -102.11 96.04 6.74 Favored 'General case' 0 C--N 1.362 1.131 0 CA-C-O 123.009 1.385 . . . . 9.58 109.893 -176.441 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.416 HD22 ' HB2' ' A' ' 73' ' ' TYR . 3.8 p-10 -120.07 63.48 0.83 Allowed 'General case' 0 N--CA 1.438 -1.026 0 C-N-CA 130.029 3.331 . . . . 12.3 105.21 176.17 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . 2.198 8.1 pt-20 -48.93 -103.39 0.0 OUTLIER 'General case' 0 C--N 1.353 0.75 1 C-N-CA 133.097 4.559 . . . . 12.57 116.825 173.687 . . . . . . . . 3 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.45 113.53 21.26 Favored 'General case' 0 C--N 1.363 1.186 0 C-N-CA 125.591 1.556 . . . . 16.33 110.261 169.484 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 156.89 -69.32 0.28 Allowed Glycine 0 CA--C 1.487 -1.714 0 N-CA-C 103.592 -3.803 . . . . 15.41 103.592 -166.41 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.416 ' HB2' HD22 ' A' ' 69' ' ' ASN . 17.4 m-85 -86.41 -62.17 1.57 Allowed 'General case' 0 C--N 1.354 0.781 0 C-N-CA 128.908 2.883 . . . . 13.81 114.957 -177.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -94.16 65.32 3.37 Favored 'General case' 0 C--N 1.35 0.596 0 C-N-CA 129.473 3.109 . . . . 14.6 109.909 178.465 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 134.38 -163.56 24.63 Favored Glycine 0 C--N 1.354 1.544 0 N-CA-C 107.37 -2.292 . . . . 15.93 107.37 -178.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 75.1 m80 -110.53 137.71 20.78 Favored Pre-proline 0 C--N 1.361 1.086 0 C-N-CA 125.848 1.659 . . . . 18.34 107.059 179.154 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo . . . . . 0 C--O 1.261 1.637 0 C-N-CA 124.154 3.236 . . . . 17.68 110.296 -173.965 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.335 0 N-CA-C 109.559 -0.534 . . . . 17.23 109.559 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.6 p -108.4 18.42 21.01 Favored 'General case' 0 C--N 1.364 1.225 0 C-N-CA 126.218 1.807 . . . . 16.87 109.829 177.167 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -140.59 -42.73 0.4 Allowed 'General case' 0 C--N 1.364 1.197 0 C-N-CA 124.86 1.264 . . . . 17.01 108.788 -177.492 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.03 93.81 0.42 Allowed Glycine 0 C--N 1.365 2.184 0 CA-C-N 118.404 0.547 . . . . 15.79 112.308 -176.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.6 pp -176.03 157.64 1.73 Allowed Pre-proline 0 C--N 1.367 1.333 0 N-CA-C 104.38 -2.452 . . . . 16.2 104.38 161.079 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -85.29 116.79 1.77 Allowed 'Trans proline' 0 C--N 1.362 1.252 0 CA-C-N 124.68 2.707 . . . . 14.32 110.72 177.218 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -152.0 -120.27 0.04 OUTLIER 'General case' 0 C--N 1.358 0.971 0 N-CA-C 103.846 -2.65 . . . . 15.54 103.846 175.678 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -146.02 138.18 25.26 Favored 'General case' 0 C--N 1.36 1.03 0 N-CA-C 104.504 -2.406 . . . . 17.23 104.504 176.706 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.501 ' HG3' HD22 ' A' ' 59' ' ' ASN . 91.4 mttt -106.43 82.67 1.76 Allowed 'General case' 0 C--N 1.364 1.211 0 C-N-CA 125.981 1.712 . . . . 14.38 108.796 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 71.9 mtm180 -131.04 -47.51 1.01 Allowed 'General case' 0 C--N 1.357 0.899 0 N-CA-C 104.312 -2.477 . . . . 13.85 104.312 175.037 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . 2.283 0.0 OUTLIER -83.39 -47.29 11.6 Favored 'General case' 0 C--N 1.368 1.406 0 C-N-CA 130.107 3.363 . . . . 13.21 110.364 173.559 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 34.8 mtp-105 -81.58 78.85 8.28 Favored 'General case' 0 C--N 1.368 1.401 0 C-N-CA 129.88 3.272 . . . . 10.61 112.699 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.7 mmm180 -105.18 167.4 9.75 Favored 'General case' 0 N--CA 1.435 -1.203 0 C-N-CA 126.522 1.929 . . . . 8.2 107.546 176.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.4 m -133.4 153.09 36.52 Favored 'Isoleucine or valine' 0 CA--C 1.492 -1.287 0 C-N-CA 128.155 2.582 . . . . 4.36 104.331 -169.515 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.2 mt -113.24 84.28 1.98 Allowed 'General case' 0 C--N 1.362 1.112 0 CA-C-O 122.751 1.262 . . . . 5.24 108.723 -172.371 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.507 ' HB3' ' HB2' ' A' ' 20' ' ' GLN . 18.2 m-30 -105.55 154.98 19.64 Favored 'General case' 0 N--CA 1.437 -1.088 0 C-N-CA 130.578 3.551 . . . . 1.53 109.159 -176.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.0 m -94.56 -177.95 4.4 Favored 'General case' 0 C--N 1.373 1.595 0 C-N-CA 126.479 1.912 . . . . 1.31 110.764 -179.104 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.8 3.27 14.67 Favored 'General case' 0 C--N 1.37 1.458 0 C-N-CA 127.369 2.268 . . . . 3.73 116.604 -167.683 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.2 -49.08 8.51 Favored 'General case' 0 C--N 1.362 1.11 0 C-N-CA 126.362 1.865 . . . . 1.13 111.723 162.43 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.507 ' HB2' ' HB3' ' A' ' 16' ' ' PHE . 52.1 mm-40 -75.96 -44.18 41.14 Favored 'General case' 0 C--N 1.367 1.348 0 C-N-CA 128.281 2.632 . . . . 0.86 112.653 -170.146 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 60.0 p -75.18 -29.01 60.27 Favored 'General case' 0 C--N 1.37 1.489 0 C-N-CA 127.416 2.286 . . . . 1.12 112.021 -178.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -66.14 -49.87 65.95 Favored 'General case' 0 C--N 1.368 1.403 0 C-N-CA 128.338 2.655 . . . . 1.22 112.374 176.472 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 -72.92 -36.84 67.34 Favored 'General case' 0 C--N 1.362 1.15 0 N-CA-C 115.37 1.618 . . . . 1.06 115.37 -177.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 96.3 mt -70.47 -41.8 72.27 Favored 'General case' 0 C--N 1.362 1.131 0 C-N-CA 125.545 1.538 . . . . 1.05 114.916 178.397 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -71.57 -32.59 68.26 Favored 'General case' 0 C--N 1.363 1.178 0 C-N-CA 125.998 1.719 . . . . 1.66 115.054 174.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.9 ptm180 -75.78 -41.16 53.73 Favored 'General case' 0 C--N 1.373 1.609 0 N-CA-C 114.706 1.373 . . . . 2.54 114.706 -177.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.515 1.7 ptm180 -86.31 5.41 34.71 Favored 'General case' 0 C--N 1.368 1.371 0 N-CA-C 115.426 1.639 . . . . 1.89 115.426 170.765 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -82.5 -38.68 23.52 Favored 'General case' 0 C--N 1.376 1.741 0 C-N-CA 126.258 1.823 . . . . 0.83 114.568 155.409 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 35.0 mmt-85 -78.33 -38.24 42.63 Favored 'General case' 0 C--N 1.369 1.425 0 C-N-CA 125.785 1.634 . . . . 4.57 113.288 -174.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 66.9 tp60 -90.09 -25.0 20.98 Favored 'General case' 0 N--CA 1.434 -1.245 0 C-N-CA 127.758 2.423 . . . . 2.53 112.439 -174.093 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -157.39 152.08 25.4 Favored 'General case' 0 C--N 1.365 1.259 0 N-CA-C 108.235 -1.024 . . . . 2.04 108.235 -173.058 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 78.5 mtt-85 -105.82 -37.24 6.76 Favored 'General case' 0 C--N 1.36 1.054 0 C-N-CA 126.509 1.924 . . . . 4.25 112.704 -179.355 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -86.41 -20.2 28.55 Favored 'General case' 0 C--N 1.36 1.04 0 C-N-CA 128.374 2.67 . . . . 5.9 115.627 -144.01 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . 0.384 0.0 OUTLIER -33.92 104.21 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.823 1 C-N-CA 132.743 4.417 . . . . 1.23 115.667 -167.961 . . . . . . . . 4 3 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 27.5 p -94.01 169.49 10.23 Favored 'General case' 0 C--N 1.366 1.284 0 C-N-CA 128.923 2.889 . . . . 2.04 109.225 -167.488 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -46.78 -36.2 6.57 Favored Pre-proline 0 C--N 1.367 1.352 0 N-CA-C 120.745 3.609 . . . . 1.23 120.745 -173.579 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -67.1 -30.57 38.28 Favored 'Trans proline' 0 C--N 1.359 1.098 0 C-N-CA 124.283 3.322 . . . . 1.03 115.138 173.208 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -104.54 -22.07 13.33 Favored 'General case' 0 C--N 1.363 1.177 0 C-N-CA 126.421 1.888 . . . . 1.7 114.925 178.557 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 58.1 ttp85 -80.79 -37.08 30.87 Favored 'General case' 0 C--N 1.375 1.703 0 C-N-CA 126.791 2.036 . . . . 3.04 110.926 179.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -82.52 -21.56 35.37 Favored 'General case' 0 C--N 1.373 1.623 0 C-N-CA 126.165 1.786 . . . . 1.74 112.787 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 45.0 t-80 -81.58 -25.35 35.84 Favored 'General case' 0 C--N 1.364 1.236 0 C-N-CA 128.183 2.593 . . . . 2.01 111.108 176.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -71.75 -36.83 70.55 Favored 'General case' 0 C--N 1.367 1.369 0 C-N-CA 128.827 2.851 . . . . 1.19 112.636 169.294 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -77.35 -26.53 52.08 Favored 'General case' 0 C--N 1.362 1.142 0 C-N-CA 127.566 2.346 . . . . 1.07 113.628 178.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 64.2 m -85.15 -28.69 25.35 Favored 'General case' 0 C--N 1.361 1.077 0 C-N-CA 126.155 1.782 . . . . 1.03 113.227 173.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 45.4 tp -77.4 -35.93 53.84 Favored 'General case' 0 C--N 1.363 1.195 0 C-N-CA 127.261 2.224 . . . . 2.35 112.496 177.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.4 pt -101.45 -21.64 5.05 Favored 'Isoleucine or valine' 0 C--N 1.367 1.343 0 C-N-CA 124.327 1.051 . . . . 1.07 111.476 -175.483 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 23.8 tpt180 83.2 66.15 0.02 OUTLIER 'General case' 0 C--N 1.372 1.553 0 C-N-CA 128.875 2.87 . . . . 3.61 113.954 172.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 76.1 mt -136.0 -173.06 3.28 Favored 'General case' 0 C--N 1.36 1.041 0 N-CA-C 108.161 -1.052 . . . . 1.12 108.161 172.577 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 61.9 p -90.21 146.25 34.42 Favored Pre-proline 0 C--N 1.372 1.549 0 C-N-CA 126.584 1.953 . . . . 1.36 109.428 178.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -58.31 -22.39 57.51 Favored 'Trans proline' 0 C--N 1.363 1.311 1 C-N-CA 126.384 4.722 . . . . 1.0 117.341 171.097 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.8 t -89.32 -28.27 19.96 Favored 'General case' 0 C--N 1.366 1.287 0 C-N-CA 125.553 1.541 . . . . 1.13 111.354 -176.044 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -82.37 -31.7 29.61 Favored 'General case' 0 C--N 1.372 1.583 0 CA-C-N 119.662 1.119 . . . . 1.04 112.231 177.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.1 p -70.69 -42.88 77.81 Favored 'Isoleucine or valine' 0 C--N 1.378 1.839 0 C-N-CA 124.775 1.23 . . . . 1.07 113.167 171.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -55.92 -49.73 72.66 Favored 'General case' 0 C--N 1.377 1.793 0 C-N-CA 127.613 2.365 . . . . 1.54 114.53 174.06 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.273 7.4 mt -88.52 -6.4 10.74 Favored 'Isoleucine or valine' 0 C--N 1.363 1.168 0 N-CA-C 114.378 1.251 . . . . 1.32 114.378 -176.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 33.2 t90 -75.37 -42.14 54.72 Favored 'General case' 0 C--N 1.381 1.955 0 C-N-CA 125.685 1.594 . . . . 0.28 110.821 167.22 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -82.35 -14.09 55.86 Favored 'General case' 0 C--N 1.368 1.409 0 C-N-CA 126.812 2.045 . . . . 0.46 113.398 -179.024 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -76.98 -43.14 36.11 Favored 'General case' 0 C--N 1.36 1.061 0 C-N-CA 127.635 2.374 . . . . 1.34 111.85 171.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.501 HD22 ' HG3' ' A' ' 9' ' ' LYS . 72.0 m-20 -94.58 -15.82 23.75 Favored 'General case' 0 C--N 1.362 1.136 0 C-N-CA 126.629 1.972 . . . . 0.56 114.151 -168.166 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 9.0 m80 -78.74 -30.37 45.79 Favored 'General case' 0 C--N 1.362 1.149 0 C-N-CA 126.07 1.748 . . . . 2.39 113.629 172.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 16.4 ptm180 -86.74 46.22 1.34 Allowed 'General case' 0 C--N 1.362 1.126 0 C-N-CA 127.599 2.36 . . . . 3.79 114.741 170.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.518 ' HB3' ' H ' ' A' ' 63' ' ' LYS . 0.1 OUTLIER -113.04 -109.58 0.35 Allowed 'General case' 0 C--N 1.377 1.804 0 CA-C-N 121.061 1.755 . . . . 6.38 110.902 -170.906 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.518 ' H ' ' HB3' ' A' ' 62' ' ' TYR . 3.8 mppt? -142.97 70.08 1.32 Allowed 'General case' 0 N--CA 1.437 -1.077 1 C-N-CA 131.865 4.066 . . . . 5.9 100.655 -178.931 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -106.25 104.76 14.53 Favored 'General case' 0 N--CA 1.426 -1.648 0 C-N-CA 131.348 3.859 . . . . 3.68 102.549 -171.385 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 26.0 pttm -71.41 42.47 0.08 Allowed 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 131.483 3.913 . . . . 8.17 115.948 176.203 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 56.9 ttp180 -110.17 150.76 28.18 Favored 'General case' 0 C--N 1.359 1.012 0 C-N-CA 127.15 2.18 . . . . 11.25 106.765 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -87.72 86.95 7.24 Favored 'General case' 0 C--N 1.367 1.369 0 C-N-CA 125.912 1.685 . . . . 9.1 111.424 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -105.73 102.94 12.35 Favored 'General case' 0 N--CA 1.444 -0.74 0 C-N-CA 127.419 2.288 . . . . 9.58 107.257 171.254 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -142.68 73.14 1.39 Allowed 'General case' 0 CA--C 1.488 -1.423 0 N-CA-C 104.772 -2.307 . . . . 12.3 104.772 178.585 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -78.71 136.06 37.32 Favored 'General case' 0 C--N 1.365 1.269 0 CA-C-N 110.975 -2.83 . . . . 12.57 106.929 144.066 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -72.0 128.39 35.56 Favored 'General case' 0 C--N 1.344 0.361 0 C-N-CA 128.053 2.541 . . . . 16.33 115.614 -154.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 80.1 58.31 2.82 Favored Glycine 0 C--N 1.357 1.705 1 C-N-CA 131.58 4.419 . . . . 15.41 113.65 -179.382 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -151.33 124.28 8.65 Favored 'General case' 0 N--CA 1.419 -2.007 0 N-CA-C 100.783 -3.784 . . . . 13.81 100.783 176.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -100.64 66.0 1.19 Allowed 'General case' 0 N--CA 1.445 -0.699 0 C-N-CA 130.891 3.677 . . . . 14.6 108.954 -178.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 157.93 -151.24 22.39 Favored Glycine 0 C--N 1.352 1.459 0 N-CA-C 105.914 -2.874 . . . . 15.93 105.914 -176.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 13.3 p80 -114.89 105.11 53.6 Favored Pre-proline 0 C--N 1.361 1.074 0 C-N-CA 125.491 1.516 . . . . 18.34 108.444 179.461 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo . . . . . 0 C--O 1.263 1.742 0 C-N-CA 123.543 2.829 . . . . 17.68 109.423 -177.351 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.6 0.238 . . . . 17.23 110.46 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.6 p -121.01 19.86 11.59 Favored 'General case' 0 C--N 1.362 1.131 0 C-N-CA 126.187 1.795 . . . . 16.87 107.984 -179.581 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -152.01 139.4 19.48 Favored 'General case' 0 C--N 1.36 1.057 0 N-CA-C 104.481 -2.415 . . . . 17.01 104.481 178.546 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 119.42 -123.65 5.72 Favored Glycine 0 C--N 1.36 1.891 0 N-CA-C 106.228 -2.749 . . . . 15.79 106.228 -173.312 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 20.6 mt -127.23 71.56 76.41 Favored Pre-proline 0 C--N 1.365 1.248 0 C-N-CA 125.064 1.346 . . . . 16.2 110.611 169.542 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -86.34 155.97 9.44 Favored 'Trans proline' 0 C--N 1.36 1.182 0 C-N-CA 124.342 3.361 . . . . 14.32 110.216 163.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 52.4 t30 -129.78 -103.11 0.3 Allowed 'General case' 0 C--N 1.361 1.077 0 N-CA-C 105.937 -1.875 . . . . 15.54 105.937 177.036 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.4 mtmp? -120.63 123.84 43.79 Favored 'General case' 0 C--N 1.361 1.108 0 N-CA-C 105.666 -1.975 . . . . 17.23 105.666 -179.655 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -101.39 154.2 19.01 Favored 'General case' 0 C--N 1.361 1.1 0 C-N-CA 125.625 1.57 . . . . 14.38 110.783 -172.214 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.2 -11.82 15.93 Favored 'General case' 0 C--N 1.362 1.121 0 C-N-CA 127.226 2.211 . . . . 13.85 108.874 -175.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 54.8 pttt -104.34 -174.23 2.49 Favored 'General case' 0 C--N 1.363 1.153 0 C-N-CA 127.357 2.263 . . . . 13.21 109.318 -176.289 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.43 17.41 1.38 Allowed 'General case' 0 C--N 1.368 1.395 0 C-N-CA 129.995 3.318 . . . . 10.61 114.579 -173.111 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . 1.876 0.5 OUTLIER -43.16 -111.43 0.0 OUTLIER 'General case' 0 C--N 1.366 1.292 2 C-N-CA 132.412 4.285 . . . . 8.2 121.918 -172.863 . . . . . . . . 4 3 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.4 m -88.12 136.06 24.1 Favored 'Isoleucine or valine' 0 C--N 1.35 0.598 0 C-N-CA 129.113 2.965 . . . . 4.36 111.146 -172.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -153.29 122.54 6.61 Favored 'General case' 0 N--CA 1.443 -0.8 0 N-CA-C 103.194 -2.891 . . . . 5.24 103.194 176.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.507 ' HB3' ' HB2' ' A' ' 20' ' ' GLN . 49.0 m-85 -88.57 149.28 23.67 Favored 'General case' 0 C--N 1.36 1.05 0 C-N-CA 127.525 2.33 . . . . 1.53 113.753 -165.286 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 29.3 m -110.77 -174.34 2.45 Favored 'General case' 0 C--N 1.369 1.451 0 C-N-CA 127.0 2.12 . . . . 1.31 108.458 -178.077 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 68.1 mttt -83.38 15.98 2.75 Favored 'General case' 0 C--N 1.372 1.549 0 C-N-CA 126.543 1.937 . . . . 3.73 115.809 -163.647 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.47 -51.11 6.75 Favored 'General case' 0 C--N 1.361 1.09 0 C-N-CA 125.982 1.713 . . . . 1.13 111.94 153.609 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.507 ' HB2' ' HB3' ' A' ' 16' ' ' PHE . 39.2 mm-40 -79.41 -49.67 11.99 Favored 'General case' 0 C--N 1.368 1.405 0 C-N-CA 128.734 2.814 . . . . 0.86 111.926 -167.72 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 79.7 p -64.14 -36.68 84.82 Favored 'General case' 0 C--N 1.375 1.71 0 C-N-CA 128.301 2.64 . . . . 1.12 112.295 177.297 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 53.1 t80 -59.84 -59.08 6.01 Favored 'General case' 0 C--N 1.369 1.452 0 C-N-CA 129.02 2.928 . . . . 1.22 112.804 177.517 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -68.11 -34.27 76.08 Favored 'General case' 0 C--N 1.368 1.383 0 N-CA-C 115.404 1.631 . . . . 1.06 115.404 -175.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 97.7 mt -67.85 -37.74 82.25 Favored 'General case' 0 C--N 1.363 1.186 0 C-N-CA 127.026 2.131 . . . . 1.05 115.868 175.302 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -76.53 -27.42 55.95 Favored 'General case' 0 C--N 1.359 1.007 0 C-N-CA 126.57 1.948 . . . . 1.66 114.404 177.08 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.7 mtm180 -71.56 -43.58 66.07 Favored 'General case' 0 C--N 1.372 1.576 0 C-N-CA 123.985 0.914 . . . . 2.54 112.247 175.423 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.314 26.8 mmm-85 -71.53 -22.94 61.71 Favored 'General case' 0 C--N 1.383 2.042 0 N-CA-C 112.568 0.581 . . . . 1.89 112.568 176.619 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 31.0 t80 -70.23 -28.93 65.65 Favored 'General case' 0 C--N 1.376 1.747 0 C-N-CA 128.09 2.556 . . . . 0.83 113.991 171.521 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 35.5 mmt-85 -79.89 -21.19 44.29 Favored 'General case' 0 C--N 1.367 1.367 0 C-N-CA 124.956 1.302 . . . . 4.57 113.409 178.489 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 64.4 tp60 -93.12 -30.66 15.14 Favored 'General case' 0 N--CA 1.429 -1.5 0 C-N-CA 127.57 2.348 . . . . 2.53 112.04 176.317 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -172.58 -179.06 2.08 Favored 'General case' 0 C--N 1.372 1.573 0 CA-C-O 123.085 1.421 . . . . 2.04 109.755 -175.135 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -106.37 -53.56 2.61 Favored 'General case' 0 N--CA 1.438 -1.045 0 C-N-CA 128.838 2.855 . . . . 4.25 109.73 -171.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -121.68 141.02 51.56 Favored 'General case' 0 CA--C 1.498 -1.034 0 C-N-CA 127.353 2.261 . . . . 5.9 106.862 -175.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -140.58 124.14 16.99 Favored 'General case' 0 N--CA 1.437 -1.083 0 N-CA-C 102.846 -3.02 . . . . 1.23 102.846 -168.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 9.2 m -82.47 160.27 22.72 Favored 'General case' 0 C--N 1.366 1.301 0 C-N-CA 127.248 2.219 . . . . 2.04 111.566 -173.364 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.65 -36.39 12.33 Favored Pre-proline 0 C--N 1.367 1.357 0 N-CA-C 120.965 3.691 . . . . 1.23 120.965 -168.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_exo -67.76 -28.19 37.06 Favored 'Trans proline' 0 C--N 1.36 1.14 0 C-N-CA 124.147 3.232 . . . . 1.03 114.986 175.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.28 0.9 OUTLIER -105.19 -21.55 13.24 Favored 'General case' 0 C--N 1.361 1.077 0 C-N-CA 126.797 2.039 . . . . 1.7 115.042 177.314 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 42.3 ttp180 -77.01 -41.62 41.99 Favored 'General case' 0 C--N 1.375 1.706 0 C-N-CA 126.849 2.06 . . . . 3.04 112.753 177.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -81.85 -20.79 38.24 Favored 'General case' 0 C--N 1.363 1.176 0 C-N-CA 126.982 2.113 . . . . 1.74 112.274 -177.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 45.2 t-80 -81.74 -27.84 33.65 Favored 'General case' 0 C--N 1.365 1.277 0 C-N-CA 128.498 2.719 . . . . 2.01 111.705 176.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -64.01 -53.47 49.55 Favored 'General case' 0 C--N 1.371 1.526 0 C-N-CA 129.016 2.926 . . . . 1.19 111.49 170.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.31 -28.61 69.83 Favored 'General case' 0 C--N 1.356 0.878 0 C-N-CA 130.232 3.413 . . . . 1.07 116.487 176.46 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 74.6 m -83.87 -26.99 28.98 Favored 'General case' 0 C--N 1.361 1.073 0 C-N-CA 125.737 1.615 . . . . 1.03 112.964 174.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 33.0 tp -78.41 -35.54 46.94 Favored 'General case' 0 C--N 1.361 1.085 0 C-N-CA 126.948 2.099 . . . . 2.35 112.966 175.194 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.2 pt -106.26 -1.71 9.94 Favored 'Isoleucine or valine' 0 C--N 1.368 1.387 0 C-N-CA 125.087 1.355 . . . . 1.07 112.258 -174.263 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 81.07 42.13 0.05 OUTLIER 'General case' 0 C--N 1.371 1.533 0 C-N-CA 128.991 2.917 . . . . 3.61 115.675 162.089 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 96.8 mt -124.36 -172.4 2.54 Favored 'General case' 0 C--N 1.357 0.909 0 O-C-N 121.31 -0.869 . . . . 1.12 109.953 -175.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.405 HG22 ' H ' ' A' ' 51' ' ' THR . 68.9 p -95.75 147.47 33.05 Favored Pre-proline 0 C--N 1.365 1.262 0 C-N-CA 127.624 2.37 . . . . 1.36 108.633 179.447 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_exo -58.64 -23.53 66.02 Favored 'Trans proline' 0 C--N 1.363 1.295 1 C-N-CA 126.462 4.775 . . . . 1.0 117.104 170.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.405 ' H ' HG22 ' A' ' 49' ' ' THR . 12.2 t -89.43 -30.17 18.52 Favored 'General case' 0 C--N 1.365 1.266 0 C-N-CA 125.898 1.679 . . . . 1.13 111.343 -175.355 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -79.35 -34.4 42.16 Favored 'General case' 0 C--N 1.375 1.682 0 CA-C-N 119.727 1.149 . . . . 1.04 111.968 178.048 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 11.5 p -67.37 -46.21 84.14 Favored 'Isoleucine or valine' 0 C--N 1.381 1.952 0 C-N-CA 125.293 1.437 . . . . 1.07 113.157 172.426 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.08 -43.76 95.26 Favored 'General case' 0 C--N 1.375 1.679 0 C-N-CA 126.02 1.728 . . . . 1.54 115.084 177.815 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.273 9.0 mt -85.05 -6.21 10.23 Favored 'Isoleucine or valine' 0 C--N 1.368 1.393 0 N-CA-C 114.941 1.46 . . . . 1.32 114.941 177.081 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 47.1 t90 -71.74 -41.98 67.82 Favored 'General case' 0 C--N 1.381 1.949 0 C-N-CA 125.283 1.433 . . . . 0.28 110.777 164.44 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -81.49 -17.12 49.74 Favored 'General case' 0 C--N 1.369 1.453 0 C-N-CA 126.273 1.829 . . . . 0.46 114.272 -179.675 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -77.33 -37.03 53.32 Favored 'General case' 0 C--N 1.362 1.14 0 C-N-CA 127.278 2.231 . . . . 1.34 111.648 174.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 64.0 m-20 -90.7 -21.58 21.55 Favored 'General case' 0 C--N 1.364 1.213 0 C-N-CA 126.438 1.895 . . . . 0.56 113.458 -176.212 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -84.26 -18.6 35.91 Favored 'General case' 0 C--N 1.367 1.334 0 C-N-CA 125.767 1.627 . . . . 2.39 114.926 -175.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.34 72.57 8.05 Favored 'General case' 0 C--N 1.363 1.19 0 C-N-CA 126.703 2.001 . . . . 3.79 106.414 151.336 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -161.71 54.19 0.25 Allowed 'General case' 0 N--CA 1.443 -0.796 0 C-N-CA 128.187 2.595 . . . . 6.38 114.361 41.017 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.8 mtpt -104.15 64.1 0.77 Allowed 'General case' 0 C--N 1.352 0.71 0 N-CA-C 103.296 -2.854 . . . . 5.9 103.296 157.474 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 6.9 m -56.7 -11.02 1.17 Allowed 'General case' 0 C--N 1.367 1.34 1 C-N-CA 136.27 5.828 . . . . 3.68 118.774 -158.786 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt -86.77 -107.19 0.06 Allowed 'General case' 0 C--N 1.365 1.259 0 C-N-CA 128.406 2.683 . . . . 8.17 111.719 -169.445 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 30.5 ptt180 -154.61 -35.66 0.1 Allowed 'General case' 0 C--N 1.356 0.884 0 N-CA-C 106.647 -1.612 . . . . 11.25 106.647 -178.637 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -100.3 124.78 46.18 Favored 'General case' 0 C--N 1.36 1.056 0 C-N-CA 128.4 2.68 . . . . 9.1 107.3 179.03 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -105.19 89.69 3.21 Favored 'General case' 0 C--N 1.359 0.988 0 CA-C-O 123.334 1.54 . . . . 9.58 109.636 -173.293 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . 0.287 2.6 p-10 -111.91 52.61 0.75 Allowed 'General case' 0 CA--C 1.497 -1.081 0 C-N-CA 130.344 3.458 . . . . 12.3 111.711 -176.107 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -51.18 130.28 26.03 Favored 'General case' 0 C--N 1.368 1.374 0 C-N-CA 128.289 2.636 . . . . 12.57 115.591 134.188 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -88.66 145.39 25.69 Favored 'General case' 0 C--N 1.355 0.833 1 C-N-CA 133.089 4.555 . . . . 16.33 110.278 -10.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 88.15 56.46 2.05 Favored Glycine 0 C--N 1.365 2.153 0 C-N-CA 127.216 2.341 . . . . 15.41 113.171 178.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . 0.338 48.4 p90 -75.48 -55.01 6.1 Favored 'General case' 0 C--N 1.369 1.422 0 N-CA-C 116.086 1.884 . . . . 13.81 116.086 -173.46 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -91.05 57.47 3.47 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 129.302 3.041 . . . . 14.6 111.196 168.311 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -173.96 -131.84 1.46 Allowed Glycine 0 C--N 1.356 1.658 0 N-CA-C 105.344 -3.102 . . . . 15.93 105.344 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 63.3 t-80 -118.09 113.32 37.52 Favored Pre-proline 0 C--N 1.362 1.143 0 N-CA-C 106.682 -1.599 . . . . 18.34 106.682 178.041 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo . . . . . 0 C--O 1.262 1.712 0 C-N-CA 123.498 2.799 . . . . 17.68 109.041 177.522 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.458 0 CA-C-O 120.271 0.082 . . . . 17.23 110.99 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.9 m -115.55 -30.05 6.3 Favored 'General case' 0 C--N 1.363 1.179 0 C-N-CA 125.514 1.526 . . . . 16.87 108.72 177.488 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -151.12 67.04 0.91 Allowed 'General case' 0 C--N 1.358 0.953 0 N-CA-C 107.267 -1.383 . . . . 17.01 107.267 178.291 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.91 -151.57 6.36 Favored Glycine 0 C--N 1.358 1.783 0 N-CA-C 108.604 -1.798 . . . . 15.79 108.604 177.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 25.3 mt -126.81 87.18 57.13 Favored Pre-proline 0 C--N 1.359 1.017 0 C-N-CA 126.118 1.767 . . . . 16.2 106.496 -179.515 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -93.58 60.02 0.4 Allowed 'Trans proline' 0 C--N 1.365 1.442 0 CA-C-N 125.28 2.921 . . . . 14.32 111.229 -167.516 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -143.84 -83.75 0.16 Allowed 'General case' 0 C--N 1.36 1.026 0 N-CA-C 102.651 -3.092 . . . . 15.54 102.651 172.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? -126.32 156.92 39.66 Favored 'General case' 0 C--N 1.362 1.147 0 N-CA-C 105.254 -2.128 . . . . 17.23 105.254 175.581 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -106.89 89.51 3.03 Favored 'General case' 0 C--N 1.363 1.174 0 C-N-CA 125.778 1.631 . . . . 14.38 108.97 -177.049 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 40.5 mmt180 73.2 42.32 0.44 Allowed 'General case' 0 C--N 1.367 1.344 0 C-N-CA 128.57 2.748 . . . . 13.85 114.18 173.439 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 58.8 mtmt -127.5 -58.95 1.24 Allowed 'General case' 0 C--N 1.361 1.068 0 N-CA-C 106.836 -1.542 . . . . 13.21 106.836 -179.333 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.1 153.47 43.59 Favored 'General case' 0 C--N 1.368 1.394 0 C-N-CA 128.831 2.852 . . . . 10.61 115.516 -179.721 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.4 mmm180 -82.84 141.85 31.96 Favored 'General case' 0 C--N 1.367 1.34 0 C-N-CA 127.39 2.276 . . . . 8.2 112.417 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.3 m -131.96 132.7 61.39 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.32 0 C-N-CA 127.922 2.489 . . . . 4.36 105.053 -165.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.0 mp -139.63 113.27 8.53 Favored 'General case' 0 N--CA 1.439 -1.022 0 N-CA-C 105.28 -2.118 . . . . 5.24 105.28 -176.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 12.8 m-30 -82.23 135.45 35.25 Favored 'General case' 0 C--N 1.365 1.247 0 C-N-CA 128.858 2.863 . . . . 1.53 110.332 179.422 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 17.1 m -99.87 -169.14 1.7 Allowed 'General case' 0 C--N 1.365 1.249 0 C-N-CA 126.1 1.76 . . . . 1.31 109.168 -177.541 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 50.8 pttt -78.48 -0.62 30.14 Favored 'General case' 0 C--N 1.367 1.364 0 C-N-CA 126.928 2.091 . . . . 3.73 116.148 -170.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.95 -43.32 14.13 Favored 'General case' 0 C--N 1.363 1.163 0 C-N-CA 126.596 1.959 . . . . 1.13 112.133 165.639 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 49.7 mm-40 -73.42 -48.35 34.51 Favored 'General case' 0 C--N 1.367 1.338 0 C-N-CA 129.144 2.978 . . . . 0.86 113.07 -174.41 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 69.5 p -72.16 -30.88 65.43 Favored 'General case' 0 C--N 1.372 1.544 0 C-N-CA 127.781 2.432 . . . . 1.12 111.93 -178.286 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -60.78 -59.27 5.65 Favored 'General case' 0 C--N 1.373 1.604 0 C-N-CA 128.694 2.798 . . . . 1.22 112.227 173.105 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -67.93 -35.37 78.31 Favored 'General case' 0 C--N 1.368 1.372 0 C-N-CA 126.37 1.868 . . . . 1.06 114.861 -174.002 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 89.9 mt -69.99 -43.34 71.65 Favored 'General case' 0 C--N 1.363 1.157 0 C-N-CA 125.906 1.682 . . . . 1.05 114.452 177.539 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -71.32 -32.41 68.56 Favored 'General case' 0 C--N 1.364 1.213 0 N-CA-C 115.785 1.772 . . . . 1.66 115.785 174.072 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . 0.26 0.0 OUTLIER -78.66 -37.18 42.55 Favored 'General case' 0 C--N 1.371 1.517 0 C-N-CA 124.814 1.245 . . . . 2.54 114.073 -174.267 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.541 3.3 ptm180 -86.28 5.21 35.55 Favored 'General case' 0 C--N 1.365 1.277 0 N-CA-C 117.188 2.292 . . . . 1.89 117.188 164.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 23.4 t80 -83.89 -40.52 18.51 Favored 'General case' 0 C--N 1.372 1.569 0 CA-C-N 120.128 1.331 . . . . 0.83 114.467 154.403 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 13.4 mmt85 -75.95 -33.4 59.81 Favored 'General case' 0 C--N 1.368 1.407 0 C-N-CA 126.932 2.093 . . . . 4.57 113.318 -174.104 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 65.3 tp60 -90.9 -26.5 19.3 Favored 'General case' 0 N--CA 1.433 -1.309 0 C-N-CA 127.742 2.417 . . . . 2.53 112.246 -176.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -162.11 150.39 14.84 Favored 'General case' 0 C--N 1.366 1.306 0 N-CA-C 108.544 -0.91 . . . . 2.04 108.544 -169.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 84.0 mtt-85 -106.04 -37.63 6.56 Favored 'General case' 0 C--N 1.359 0.993 0 C-N-CA 126.656 1.983 . . . . 4.25 112.775 -178.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 2.5 p90 -82.39 -17.06 46.82 Favored 'General case' 0 C--N 1.359 0.993 0 C-N-CA 128.795 2.838 . . . . 5.9 117.891 -150.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . 0.391 0.0 OUTLIER -34.32 103.95 0.03 OUTLIER 'General case' 0 N--CA 1.501 2.122 1 C-N-CA 132.767 4.427 . . . . 1.23 115.137 -178.247 . . . . . . . . 4 3 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 25.4 p -109.79 170.59 7.97 Favored 'General case' 0 C--N 1.363 1.167 0 C-N-CA 127.956 2.502 . . . . 2.04 107.497 -167.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . 0.256 . . -37.06 -41.46 0.75 Allowed Pre-proline 0 C--N 1.368 1.396 1 N-CA-C 122.077 4.103 . . . . 1.23 122.077 -169.567 . . . . . . . . 3 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -67.81 -29.27 35.52 Favored 'Trans proline' 0 C--N 1.36 1.134 0 C-N-CA 124.258 3.305 . . . . 1.03 115.081 175.486 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -105.45 -26.82 11.77 Favored 'General case' 0 C--N 1.361 1.068 0 C-N-CA 126.952 2.101 . . . . 1.7 114.965 178.485 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 44.4 ttp180 -76.51 -39.8 51.98 Favored 'General case' 0 C--N 1.374 1.649 0 C-N-CA 127.476 2.311 . . . . 3.04 112.447 179.54 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -85.08 -20.09 30.91 Favored 'General case' 0 C--N 1.367 1.337 0 C-N-CA 124.879 1.271 . . . . 1.74 112.209 -178.413 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 46.2 t-80 -78.11 -24.33 47.53 Favored 'General case' 0 C--N 1.369 1.442 0 C-N-CA 128.177 2.591 . . . . 2.01 112.281 173.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.69 -51.21 66.08 Favored 'General case' 0 C--N 1.371 1.517 0 C-N-CA 129.095 2.958 . . . . 1.19 112.234 168.446 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.48 -31.29 71.26 Favored 'General case' 0 C--N 1.358 0.943 0 C-N-CA 128.575 2.75 . . . . 1.07 115.875 175.021 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 46.1 m -81.84 -28.95 32.8 Favored 'General case' 0 C--N 1.362 1.141 0 C-N-CA 125.517 1.527 . . . . 1.03 114.086 174.502 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -79.31 -36.46 39.56 Favored 'General case' 0 C--N 1.362 1.117 0 C-N-CA 127.719 2.407 . . . . 2.35 112.01 179.43 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.8 pt -99.8 -12.51 8.41 Favored 'Isoleucine or valine' 0 C--N 1.367 1.328 0 C-N-CA 125.175 1.39 . . . . 1.07 111.684 -175.253 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 15.1 tpp180 84.73 43.59 0.02 OUTLIER 'General case' 0 C--N 1.373 1.609 0 C-N-CA 128.498 2.719 . . . . 3.61 113.657 165.273 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 77.7 mt -125.16 -173.31 2.78 Favored 'General case' 0 C--N 1.359 0.997 0 C-N-CA 125.076 1.351 . . . . 1.12 108.542 178.299 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.4 HG22 ' H ' ' A' ' 51' ' ' THR . 70.2 p -89.59 143.01 29.87 Favored Pre-proline 0 C--N 1.366 1.294 0 C-N-CA 126.889 2.076 . . . . 1.36 109.949 -178.413 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_exo -60.25 -20.73 63.67 Favored 'Trans proline' 0 C--N 1.362 1.288 1 C-N-CA 126.231 4.621 . . . . 1.0 116.419 171.456 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.4 ' H ' HG22 ' A' ' 49' ' ' THR . 13.8 t -86.65 -27.44 23.8 Favored 'General case' 0 C--N 1.366 1.293 0 C-N-CA 127.198 2.199 . . . . 1.13 111.115 -178.537 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -84.17 -33.65 24.16 Favored 'General case' 0 C--N 1.374 1.633 0 CA-C-N 119.656 1.116 . . . . 1.04 112.785 179.17 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.3 p -66.64 -38.97 82.7 Favored 'Isoleucine or valine' 0 C--N 1.378 1.823 0 C-N-CA 125.192 1.397 . . . . 1.07 112.928 168.156 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.2 mmmt -54.11 -51.62 63.61 Favored 'General case' 0 C--N 1.371 1.527 0 C-N-CA 127.263 2.225 . . . . 1.54 115.936 171.261 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.266 6.8 mt -85.96 -8.72 11.17 Favored 'Isoleucine or valine' 0 C--N 1.367 1.342 0 N-CA-C 114.958 1.466 . . . . 1.32 114.958 -178.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.466 ' HE1' ' HB3' ' A' ' 74' ' ' GLU . 39.2 t90 -76.98 -41.88 41.17 Favored 'General case' 0 C--N 1.377 1.782 0 C-N-CA 125.643 1.577 . . . . 0.28 110.625 170.604 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -81.67 -15.26 55.07 Favored 'General case' 0 C--N 1.367 1.339 0 C-N-CA 126.492 1.917 . . . . 0.46 112.836 179.246 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -76.85 -40.06 49.07 Favored 'General case' 0 C--N 1.366 1.302 0 C-N-CA 127.806 2.442 . . . . 1.34 112.585 172.262 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 70.7 m-20 -87.74 -15.08 38.01 Favored 'General case' 0 C--N 1.365 1.258 0 C-N-CA 126.551 1.941 . . . . 0.56 112.796 -176.026 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 20.1 m80 -83.21 -28.5 29.22 Favored 'General case' 0 C--N 1.363 1.163 0 C-N-CA 126.178 1.791 . . . . 2.39 114.274 172.42 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.43 36.99 0.71 Allowed 'General case' 0 C--N 1.368 1.39 0 C-N-CA 126.886 2.075 . . . . 3.79 114.812 175.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.407 ' HB3' ' H ' ' A' ' 63' ' ' LYS . 0.1 OUTLIER -126.36 -115.91 0.27 Allowed 'General case' 0 C--N 1.367 1.36 0 O-C-N 119.809 -1.807 . . . . 6.38 106.576 -153.214 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.407 ' H ' ' HB3' ' A' ' 62' ' ' TYR . 9.6 ptmm? -134.58 60.79 1.69 Allowed 'General case' 0 C--N 1.339 0.135 0 C-N-CA 127.632 2.373 . . . . 5.9 107.528 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -90.03 -11.98 39.89 Favored 'General case' 0 C--N 1.365 1.245 0 C-N-CA 127.433 2.293 . . . . 3.68 116.313 -156.759 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 60.6 pttt -90.27 63.04 5.6 Favored 'General case' 0 C--N 1.368 1.377 0 C-N-CA 128.003 2.521 . . . . 8.17 111.206 178.58 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 33.1 ptt180 -134.71 -46.43 0.74 Allowed 'General case' 0 C--N 1.354 0.789 0 C-N-CA 127.072 2.149 . . . . 11.25 105.339 177.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -100.69 98.16 8.74 Favored 'General case' 0 C--N 1.365 1.263 0 C-N-CA 126.359 1.864 . . . . 9.1 107.552 163.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -105.13 91.93 4.0 Favored 'General case' 0 C--N 1.36 1.035 0 C-N-CA 125.438 1.495 . . . . 9.58 109.549 -175.184 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -164.33 77.0 0.34 Allowed 'General case' 0 N--CA 1.435 -1.211 0 N-CA-C 102.916 -2.994 . . . . 12.3 102.916 -178.276 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . 0.385 1.8 pp20? -49.21 -70.7 0.08 Allowed 'General case' 0 C--N 1.364 1.233 0 N-CA-C 119.376 3.102 . . . . 12.57 119.376 -170.552 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -110.67 126.27 54.34 Favored 'General case' 0 C--N 1.373 1.624 0 CA-C-N 122.474 2.397 . . . . 16.33 108.214 173.43 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 137.05 -46.5 1.01 Allowed Glycine 0 C--N 1.36 1.889 0 N-CA-C 109.371 -1.492 . . . . 15.41 109.371 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 17.5 t80 -67.22 -20.08 65.64 Favored 'General case' 0 C--N 1.37 1.488 0 C-N-CA 128.985 2.914 . . . . 13.81 115.541 177.497 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.466 ' HB3' ' HE1' ' A' ' 56' ' ' TRP . 57.1 mm-40 -121.34 46.4 2.06 Favored 'General case' 0 N--CA 1.438 -1.053 0 C-N-CA 130.455 3.502 . . . . 14.6 106.759 -179.021 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -144.1 -97.23 0.23 Allowed Glycine 0 C--N 1.356 1.67 0 N-CA-C 105.47 -3.052 . . . . 15.93 105.47 -174.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -104.67 127.42 28.93 Favored Pre-proline 0 C--N 1.364 1.21 0 C-N-CA 126.15 1.78 . . . . 18.34 107.672 173.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo . . . . . 0 C--O 1.26 1.594 0 CA-C-N 122.353 1.876 . . . . 17.68 110.676 -8.092 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . 2.438 . . . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.452 0.167 . . . . 17.23 110.729 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.5 p -102.68 -27.0 12.98 Favored 'General case' 0 C--N 1.368 1.393 0 C-N-CA 126.792 2.037 . . . . 16.87 109.052 -179.01 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -163.48 64.29 0.17 Allowed 'General case' 0 C--N 1.357 0.899 0 N-CA-C 104.306 -2.479 . . . . 17.01 104.306 178.118 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.59 166.96 30.31 Favored Glycine 0 C--N 1.356 1.673 0 N-CA-C 105.578 -3.009 . . . . 15.79 105.578 -178.586 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.3 pp -154.21 166.48 15.76 Favored Pre-proline 0 C--N 1.357 0.915 0 N-CA-C 106.445 -1.687 . . . . 16.2 106.445 -172.009 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -80.68 138.41 11.92 Favored 'Trans proline' 0 C--N 1.365 1.44 0 C-N-CA 123.56 2.84 . . . . 14.32 111.969 -178.097 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -134.74 -159.28 0.95 Allowed 'General case' 0 C--N 1.36 1.03 0 N-CA-C 105.312 -2.107 . . . . 15.54 105.312 179.062 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -105.97 -2.65 22.62 Favored 'General case' 0 C--N 1.362 1.136 0 C-N-CA 126.386 1.875 . . . . 17.23 109.734 177.526 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -114.29 -114.12 0.33 Allowed 'General case' 0 C--N 1.364 1.235 0 C-N-CA 126.561 1.944 . . . . 14.38 106.281 176.086 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 24.4 tpt180 -159.64 130.61 5.89 Favored 'General case' 0 C--N 1.359 1.007 0 N-CA-C 106.787 -1.56 . . . . 13.85 106.787 179.479 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 60.3 tttm -136.82 -11.44 1.77 Allowed 'General case' 0 C--N 1.357 0.905 0 C-N-CA 126.316 1.846 . . . . 13.21 106.126 171.519 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . 2.227 0.0 OUTLIER -41.58 -35.66 0.78 Allowed 'General case' 0 C--N 1.367 1.362 1 C-N-CA 134.749 5.22 . . . . 10.61 119.756 179.772 . . . . . . . . 4 3 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 29.7 mmt85 -87.93 171.11 10.57 Favored 'General case' 0 C--N 1.368 1.384 0 C-N-CA 128.268 2.627 . . . . 8.2 110.44 -174.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 2.116 4.1 m -67.35 179.74 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.375 1.712 0 C-N-CA 129.693 3.197 . . . . 4.36 114.606 -154.797 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 179.28 86.26 0.01 OUTLIER 'General case' 0 N--CA 1.437 -1.113 0 N-CA-C 104.997 -2.223 . . . . 5.24 104.997 -163.156 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.434 ' HB3' ' HB2' ' A' ' 20' ' ' GLN . 44.2 m-85 -105.25 150.25 25.29 Favored 'General case' 0 N--CA 1.434 -1.269 0 C-N-CA 126.385 1.874 . . . . 1.53 110.562 -179.164 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 16.9 m -102.63 -175.94 2.96 Favored 'General case' 0 C--N 1.369 1.418 0 C-N-CA 126.879 2.072 . . . . 1.31 108.969 179.457 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.88 0.85 19.38 Favored 'General case' 0 C--N 1.368 1.38 0 N-CA-C 117.061 2.245 . . . . 3.73 117.061 -166.355 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.1 -47.17 10.44 Favored 'General case' 0 C--N 1.36 1.042 0 C-N-CA 126.141 1.776 . . . . 1.13 111.648 163.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.434 ' HB2' ' HB3' ' A' ' 16' ' ' PHE . 42.8 mm-40 -78.48 -43.18 27.67 Favored 'General case' 0 C--N 1.368 1.412 0 C-N-CA 127.679 2.391 . . . . 0.86 111.952 -170.698 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 54.1 p -70.56 -32.39 69.79 Favored 'General case' 0 C--N 1.374 1.666 0 C-N-CA 126.965 2.106 . . . . 1.12 112.792 177.059 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -64.74 -49.63 70.06 Favored 'General case' 0 C--N 1.369 1.437 0 C-N-CA 127.789 2.436 . . . . 1.22 112.672 177.077 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -73.99 -35.59 64.45 Favored 'General case' 0 C--N 1.363 1.193 0 N-CA-C 115.482 1.66 . . . . 1.06 115.482 -177.099 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 87.5 mt -69.77 -43.35 72.37 Favored 'General case' 0 C--N 1.364 1.214 0 C-N-CA 126.289 1.835 . . . . 1.05 114.566 177.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -69.42 -32.68 71.81 Favored 'General case' 0 C--N 1.363 1.179 0 C-N-CA 125.961 1.704 . . . . 1.66 114.77 174.094 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.6 ptm180 -80.14 -25.23 39.96 Favored 'General case' 0 C--N 1.372 1.571 0 N-CA-C 115.499 1.666 . . . . 2.54 115.499 -177.383 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.261 40.5 mmm-85 -74.75 -29.72 61.24 Favored 'General case' 0 C--N 1.368 1.404 0 CA-C-O 118.325 -0.845 . . . . 1.89 112.358 164.699 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -66.35 -40.08 89.6 Favored 'General case' 0 C--N 1.379 1.87 0 C-N-CA 126.48 1.912 . . . . 0.83 113.655 -178.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.39 -16.05 61.85 Favored 'General case' 0 C--N 1.367 1.359 0 C-N-CA 126.614 1.966 . . . . 4.57 114.404 177.777 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 59.7 mm-40 -98.35 -32.69 11.39 Favored 'General case' 0 C--N 1.366 1.312 0 C-N-CA 126.099 1.76 . . . . 2.53 113.118 175.483 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -166.67 150.44 7.1 Favored 'General case' 0 C--N 1.367 1.347 0 N-CA-C 105.93 -1.878 . . . . 2.04 105.93 -170.021 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 74.2 mmt-85 -100.13 -34.11 10.18 Favored 'General case' 0 C--N 1.359 1.013 0 C-N-CA 125.042 1.337 . . . . 4.25 109.902 -174.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 49.3 m-85 -122.5 140.35 52.85 Favored 'General case' 0 C--N 1.357 0.931 0 C-N-CA 126.395 1.878 . . . . 5.9 106.716 177.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -144.93 121.35 10.98 Favored 'General case' 0 CA--C 1.501 -0.937 0 N-CA-C 102.634 -3.098 . . . . 1.23 102.634 -171.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 28.8 p -89.64 165.37 14.27 Favored 'General case' 0 C--N 1.366 1.309 0 C-N-CA 127.443 2.297 . . . . 2.04 110.361 -170.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.09 -35.8 9.09 Favored Pre-proline 0 C--N 1.366 1.317 0 N-CA-C 120.785 3.624 . . . . 1.23 120.785 -170.258 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_exo -67.45 -31.37 34.45 Favored 'Trans proline' 0 C--N 1.36 1.158 0 C-N-CA 124.279 3.319 . . . . 1.03 115.025 174.63 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -102.83 -20.58 14.25 Favored 'General case' 0 C--N 1.362 1.121 0 C-N-CA 126.482 1.913 . . . . 1.7 114.66 177.442 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 42.5 ttp180 -80.11 -42.0 24.41 Favored 'General case' 0 C--N 1.374 1.667 0 C-N-CA 126.481 1.912 . . . . 3.04 111.72 -179.176 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -80.41 -20.73 43.29 Favored 'General case' 0 C--N 1.367 1.368 0 C-N-CA 126.995 2.118 . . . . 1.74 112.083 -178.42 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 47.2 t-80 -80.6 -28.3 37.13 Favored 'General case' 0 C--N 1.367 1.33 0 C-N-CA 128.139 2.576 . . . . 2.01 111.661 175.533 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -74.89 -30.74 61.39 Favored 'General case' 0 C--N 1.368 1.395 0 C-N-CA 128.226 2.61 . . . . 1.19 112.149 172.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.21 -26.39 35.96 Favored 'General case' 0 C--N 1.364 1.238 0 C-N-CA 127.738 2.415 . . . . 1.07 113.011 176.559 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 68.5 m -85.14 -27.42 26.22 Favored 'General case' 0 C--N 1.36 1.052 0 C-N-CA 125.848 1.659 . . . . 1.03 113.063 174.247 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -75.65 -38.67 58.64 Favored 'General case' 0 C--N 1.363 1.177 0 C-N-CA 127.909 2.484 . . . . 2.35 112.112 177.455 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.4 pt -103.95 -17.75 7.09 Favored 'Isoleucine or valine' 0 C--N 1.367 1.356 0 C-N-CA 123.888 0.875 . . . . 1.07 112.0 -175.044 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 21.3 tpt180 88.18 63.05 0.01 OUTLIER 'General case' 0 C--N 1.371 1.541 0 C-N-CA 129.263 3.025 . . . . 3.61 114.375 167.18 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 95.8 mt -135.11 -170.5 2.59 Favored 'General case' 0 C--N 1.363 1.154 0 C-N-CA 124.319 1.047 . . . . 1.12 109.811 178.278 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 71.5 p -96.37 147.39 32.88 Favored Pre-proline 0 C--N 1.37 1.487 0 C-N-CA 127.642 2.377 . . . . 1.36 108.864 177.09 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -59.47 -19.7 53.06 Favored 'Trans proline' 0 C--N 1.365 1.419 1 C-N-CA 126.416 4.744 . . . . 1.0 117.201 171.446 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.6 t -88.86 -31.71 18.15 Favored 'General case' 0 C--N 1.365 1.253 0 C-N-CA 126.427 1.891 . . . . 1.13 111.315 -175.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -82.57 -31.01 29.25 Favored 'General case' 0 C--N 1.372 1.563 0 CA-C-N 119.762 1.164 . . . . 1.04 112.156 178.47 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 8.2 p -68.58 -42.44 83.5 Favored 'Isoleucine or valine' 0 C--N 1.381 1.97 0 C-N-CA 124.509 1.123 . . . . 1.07 112.538 170.148 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.75 -47.42 73.88 Favored 'General case' 0 C--N 1.37 1.47 0 C-N-CA 126.993 2.117 . . . . 1.54 116.081 172.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.288 5.5 mt -86.93 -8.21 11.02 Favored 'Isoleucine or valine' 0 C--N 1.367 1.338 0 N-CA-C 115.11 1.522 . . . . 1.32 115.11 -179.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 44.9 t90 -72.83 -41.63 64.65 Favored 'General case' 0 C--N 1.378 1.843 0 C-N-CA 125.164 1.385 . . . . 0.28 111.226 166.43 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -83.02 -14.43 53.96 Favored 'General case' 0 C--N 1.367 1.35 0 C-N-CA 126.115 1.766 . . . . 0.46 113.767 -179.488 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -78.08 -38.2 44.77 Favored 'General case' 0 C--N 1.361 1.071 0 C-N-CA 127.658 2.383 . . . . 1.34 112.303 174.104 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -89.89 -18.48 26.08 Favored 'General case' 0 C--N 1.367 1.335 0 C-N-CA 126.201 1.8 . . . . 0.56 113.397 -177.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 10.6 m80 -81.61 -26.09 35.17 Favored 'General case' 0 C--N 1.364 1.225 0 C-N-CA 126.397 1.879 . . . . 2.39 115.192 176.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.27 38.82 0.79 Allowed 'General case' 0 C--N 1.368 1.375 0 C-N-CA 126.982 2.113 . . . . 3.79 114.645 177.368 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.416 ' HB3' ' H ' ' A' ' 63' ' ' LYS . 0.1 OUTLIER -130.5 -113.32 0.25 Allowed 'General case' 0 C--N 1.367 1.352 0 O-C-N 120.063 -1.648 . . . . 6.38 108.091 -154.708 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.416 ' H ' ' HB3' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -141.77 77.1 1.57 Allowed 'General case' 0 N--CA 1.443 -0.809 0 N-CA-C 101.856 -3.387 . . . . 5.9 101.856 -179.334 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -100.33 103.19 14.59 Favored 'General case' 0 N--CA 1.423 -1.798 1 C-N-CA 132.701 4.4 . . . . 3.68 104.714 -169.611 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 26.1 pttm -80.85 26.61 0.41 Allowed 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 131.692 3.997 . . . . 8.17 114.521 168.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -115.49 157.01 24.65 Favored 'General case' 0 C--N 1.363 1.159 0 C-N-CA 126.891 2.077 . . . . 11.25 107.275 -175.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -89.37 108.61 19.73 Favored 'General case' 0 C--N 1.365 1.242 0 C-N-CA 127.455 2.302 . . . . 9.1 109.972 177.245 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -100.72 93.34 5.52 Favored 'General case' 0 C--N 1.362 1.129 0 C-N-CA 127.289 2.236 . . . . 9.58 106.429 -178.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 18.1 t30 -151.0 71.98 1.05 Allowed 'General case' 0 N--CA 1.44 -0.965 0 N-CA-C 104.101 -2.555 . . . . 12.3 104.101 -161.19 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -48.19 -48.04 35.01 Favored 'General case' 0 C--N 1.359 1.007 1 N-CA-C 121.854 4.02 . . . . 12.57 121.854 -166.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -108.86 125.89 52.47 Favored 'General case' 0 C--N 1.372 1.575 0 CA-C-N 122.544 2.429 . . . . 16.33 108.137 165.404 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 127.11 -34.65 3.04 Favored Glycine 0 C--N 1.359 1.826 0 C-N-CA 124.765 1.174 . . . . 15.41 112.174 172.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -67.92 -27.35 66.56 Favored 'General case' 0 C--N 1.367 1.326 0 C-N-CA 128.719 2.808 . . . . 13.81 115.929 -177.583 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -118.13 35.72 4.63 Favored 'General case' 0 N--CA 1.436 -1.151 0 C-N-CA 128.666 2.786 . . . . 14.6 111.334 -176.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 119.28 -102.93 0.95 Allowed Glycine 0 C--N 1.358 1.751 0 N-CA-C 109.313 -1.515 . . . . 15.93 109.313 177.424 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -133.05 -62.89 0.02 OUTLIER Pre-proline 0 C--N 1.361 1.07 0 CA-C-O 116.103 -1.903 . . . . 18.34 108.086 178.221 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo . . . . . 0 C--O 1.258 1.52 0 CA-C-N 125.451 2.982 . . . . 17.68 108.635 163.999 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.593 0.235 . . . . 17.23 110.982 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.7 m -139.6 22.05 2.52 Favored 'General case' 0 C--N 1.361 1.068 0 N-CA-C 106.582 -1.636 . . . . 16.87 106.582 177.043 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -155.92 86.85 1.05 Allowed 'General case' 0 C--N 1.361 1.079 0 N-CA-C 104.412 -2.44 . . . . 17.01 104.412 -178.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 115.54 -95.93 0.72 Allowed Glycine 0 C--N 1.36 1.868 0 N-CA-C 107.664 -2.175 . . . . 15.79 107.664 -173.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -169.77 159.18 6.9 Favored Pre-proline 0 C--N 1.361 1.1 0 N-CA-C 105.239 -2.134 . . . . 16.2 105.239 173.614 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -83.91 111.69 1.7 Allowed 'Trans proline' 0 C--N 1.363 1.29 0 C-N-CA 123.871 3.047 . . . . 14.32 109.029 160.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 5.7 p-10 -90.68 81.34 5.84 Favored 'General case' 0 C--N 1.363 1.192 0 C-N-CA 126.551 1.94 . . . . 15.54 110.467 -176.309 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 46.9 mmtm -124.08 -119.6 0.28 Allowed 'General case' 0 C--N 1.362 1.144 0 C-N-CA 126.326 1.851 . . . . 17.23 106.665 -171.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -113.5 -26.61 8.23 Favored 'General case' 0 C--N 1.363 1.159 0 C-N-CA 126.699 1.999 . . . . 14.38 108.302 178.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.0 tpm_? -135.23 135.45 40.97 Favored 'General case' 0 C--N 1.36 1.064 0 N-CA-C 105.221 -2.141 . . . . 13.85 105.221 175.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 36.4 mmtm -108.17 167.11 10.24 Favored 'General case' 0 C--N 1.361 1.085 0 C-N-CA 126.679 1.991 . . . . 13.21 107.946 -173.079 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 18.5 ptt180 -71.28 -33.74 70.02 Favored 'General case' 0 C--N 1.371 1.502 0 C-N-CA 128.022 2.529 . . . . 10.61 114.165 176.35 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.61 149.72 21.14 Favored 'General case' 0 N--CA 1.428 -1.569 0 C-N-CA 129.708 3.203 . . . . 8.2 109.667 174.037 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -114.87 143.2 25.14 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.877 0 C-N-CA 129.143 2.977 . . . . 4.36 107.61 -155.449 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -132.71 134.3 44.61 Favored 'General case' 0 C--N 1.359 0.993 0 N-CA-C 105.151 -2.166 . . . . 5.24 105.151 -178.434 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.403 ' HB3' ' HB2' ' A' ' 20' ' ' GLN . 10.6 m-30 -101.68 149.14 24.44 Favored 'General case' 0 C--N 1.364 1.232 0 C-N-CA 128.307 2.643 . . . . 1.53 108.549 -173.777 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 21.9 m -105.8 -171.57 1.93 Allowed 'General case' 0 C--N 1.365 1.272 0 C-N-CA 126.676 1.99 . . . . 1.31 108.701 -178.476 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.0 mtpp -85.02 7.03 22.83 Favored 'General case' 0 C--N 1.369 1.456 0 C-N-CA 127.162 2.185 . . . . 3.73 114.162 -170.062 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.26 -46.81 10.67 Favored 'General case' 0 C--N 1.362 1.117 0 C-N-CA 126.718 2.007 . . . . 1.13 111.976 160.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.403 ' HB2' ' HB3' ' A' ' 16' ' ' PHE . 46.7 mm-40 -73.27 -49.82 25.57 Favored 'General case' 0 C--N 1.37 1.499 0 C-N-CA 128.745 2.818 . . . . 0.86 112.892 -171.708 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 73.3 p -71.52 -28.79 64.13 Favored 'General case' 0 C--N 1.367 1.363 0 C-N-CA 127.475 2.31 . . . . 1.12 112.639 -179.294 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 50.1 t80 -66.0 -52.07 52.67 Favored 'General case' 0 C--N 1.369 1.421 0 C-N-CA 128.428 2.691 . . . . 1.22 112.782 176.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -72.07 -37.35 69.65 Favored 'General case' 0 C--N 1.362 1.115 0 N-CA-C 115.321 1.6 . . . . 1.06 115.321 -177.501 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 93.4 mt -69.53 -42.2 74.97 Favored 'General case' 0 C--N 1.363 1.193 0 C-N-CA 126.29 1.836 . . . . 1.05 114.464 179.125 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -72.71 -33.04 66.18 Favored 'General case' 0 C--N 1.363 1.161 0 C-N-CA 126.28 1.832 . . . . 1.66 115.583 173.323 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.9 ptm180 -76.87 -28.91 55.6 Favored 'General case' 0 C--N 1.372 1.586 0 N-CA-C 114.961 1.467 . . . . 2.54 114.961 -176.481 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 17.5 mmt85 -76.32 -32.72 58.86 Favored 'General case' 0 C--N 1.367 1.356 0 C-N-CA 124.019 0.928 . . . . 1.89 112.584 164.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 47.4 t80 -69.67 -29.41 66.85 Favored 'General case' 0 C--N 1.371 1.543 0 CA-C-N 120.41 1.459 . . . . 0.83 114.098 -173.015 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 13.1 mmt85 -78.34 -19.38 53.6 Favored 'General case' 0 C--N 1.364 1.236 0 C-N-CA 124.629 1.171 . . . . 4.57 113.824 174.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 65.0 tp60 -98.43 -29.22 13.24 Favored 'General case' 0 N--CA 1.432 -1.375 0 C-N-CA 127.811 2.444 . . . . 2.53 112.897 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -167.56 157.4 10.5 Favored 'General case' 0 C--N 1.37 1.473 0 CA-C-N 120.153 1.342 . . . . 2.04 108.421 -165.562 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.1 mmt180 -105.95 -35.74 7.2 Favored 'General case' 0 C--N 1.373 1.597 0 C-N-CA 125.159 1.384 . . . . 4.25 108.879 172.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . 1.98 0.0 OUTLIER -88.57 103.44 15.9 Favored 'General case' 0 N--CA 1.432 -1.333 1 C-N-CA 133.748 4.819 . . . . 5.9 115.488 -164.846 . . . . . . . . 4 3 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . 0.278 0.0 OUTLIER -140.69 118.26 11.57 Favored 'General case' 0 C--N 1.363 1.157 0 N-CA-C 104.272 -2.492 . . . . 1.23 104.272 179.266 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 25.8 p -89.92 169.98 10.77 Favored 'General case' 0 C--N 1.368 1.396 0 C-N-CA 128.455 2.702 . . . . 2.04 108.996 -171.458 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.39 -35.99 18.81 Favored Pre-proline 0 C--N 1.366 1.296 0 N-CA-C 120.084 3.364 . . . . 1.23 120.084 -172.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -67.44 -26.23 40.99 Favored 'Trans proline' 0 C--N 1.36 1.159 0 C-N-CA 124.384 3.39 . . . . 1.03 115.408 172.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -107.5 -22.91 12.37 Favored 'General case' 0 C--N 1.362 1.125 0 C-N-CA 126.296 1.838 . . . . 1.7 115.087 177.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 58.4 ttm-85 -80.19 -41.33 25.48 Favored 'General case' 0 C--N 1.376 1.728 0 CA-C-N 121.45 1.932 . . . . 3.04 111.151 179.283 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -81.14 -22.89 38.7 Favored 'General case' 0 C--N 1.371 1.538 0 C-N-CA 126.266 1.826 . . . . 1.74 112.193 -177.144 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 21.6 t60 -82.89 -25.88 32.06 Favored 'General case' 0 C--N 1.366 1.295 0 C-N-CA 127.881 2.473 . . . . 2.01 111.146 177.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -76.86 -28.24 55.35 Favored 'General case' 0 C--N 1.368 1.392 0 C-N-CA 128.237 2.615 . . . . 1.19 112.216 171.294 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -80.16 -28.82 38.75 Favored 'General case' 0 C--N 1.364 1.201 0 C-N-CA 127.168 2.187 . . . . 1.07 112.716 176.012 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 62.7 m -85.12 -26.83 26.64 Favored 'General case' 0 C--N 1.361 1.089 0 C-N-CA 126.22 1.808 . . . . 1.03 113.562 174.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -75.76 -38.91 57.92 Favored 'General case' 0 C--N 1.362 1.14 0 C-N-CA 127.529 2.332 . . . . 2.35 112.013 177.168 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.5 pt -100.97 -21.38 5.13 Favored 'Isoleucine or valine' 0 C--N 1.365 1.279 0 C-N-CA 124.13 0.972 . . . . 1.07 112.538 -174.273 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 9.3 tpp180 84.24 66.25 0.01 OUTLIER 'General case' 0 C--N 1.372 1.569 0 C-N-CA 129.006 2.922 . . . . 3.61 113.472 174.306 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 70.5 mt -139.62 -172.26 3.33 Favored 'General case' 0 C--N 1.359 1.013 0 N-CA-C 107.358 -1.349 . . . . 1.12 107.358 172.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 69.2 p -95.67 148.18 34.18 Favored Pre-proline 0 C--N 1.368 1.388 0 C-N-CA 127.294 2.238 . . . . 1.36 108.461 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_exo -57.83 -23.36 58.41 Favored 'Trans proline' 0 C--N 1.362 1.259 1 C-N-CA 126.565 4.843 . . . . 1.0 117.468 170.541 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.5 t -88.1 -29.11 20.86 Favored 'General case' 0 C--N 1.365 1.263 0 C-N-CA 125.789 1.635 . . . . 1.13 111.342 -175.223 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -83.9 -33.36 24.76 Favored 'General case' 0 C--N 1.37 1.46 0 CA-C-N 119.406 1.003 . . . . 1.04 112.311 179.124 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.5 p -67.23 -41.6 86.91 Favored 'Isoleucine or valine' 0 C--N 1.38 1.897 0 C-N-CA 125.493 1.517 . . . . 1.07 113.264 170.443 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.69 -49.02 77.9 Favored 'General case' 0 C--N 1.373 1.591 0 C-N-CA 128.538 2.735 . . . . 1.54 113.868 174.066 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.29 6.3 mt -84.78 -6.02 10.04 Favored 'Isoleucine or valine' 0 C--N 1.366 1.324 0 N-CA-C 115.007 1.484 . . . . 1.32 115.007 179.518 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 28.2 t90 -73.54 -42.8 61.25 Favored 'General case' 0 C--N 1.378 1.82 0 C-N-CA 125.412 1.485 . . . . 0.28 111.26 165.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -83.24 -14.48 53.14 Favored 'General case' 0 C--N 1.369 1.441 0 C-N-CA 126.222 1.809 . . . . 0.46 113.514 -179.611 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -78.87 -38.89 36.61 Favored 'General case' 0 C--N 1.362 1.11 0 C-N-CA 127.469 2.308 . . . . 1.34 112.487 175.242 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 65.7 m-20 -89.91 -24.84 21.22 Favored 'General case' 0 C--N 1.367 1.33 0 C-N-CA 125.923 1.689 . . . . 0.56 113.647 -174.732 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 8.2 m80 -77.67 -20.81 53.1 Favored 'General case' 0 C--N 1.364 1.239 0 C-N-CA 126.31 1.844 . . . . 2.39 115.74 -179.49 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.8 ptm180 -85.48 49.07 1.69 Allowed 'General case' 0 C--N 1.368 1.374 0 C-N-CA 126.857 2.063 . . . . 3.79 114.901 -174.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -124.33 53.85 1.4 Allowed 'General case' 0 C--N 1.371 1.509 0 O-C-N 120.748 -1.22 . . . . 6.38 110.07 173.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.6 ptmt 51.13 38.39 20.77 Favored 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 128.274 2.63 . . . . 5.9 115.02 169.337 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.9 m -81.87 -11.76 58.78 Favored 'General case' 0 C--N 1.371 1.52 0 C-N-CA 126.88 2.072 . . . . 3.68 115.684 -146.374 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -90.15 25.92 2.03 Favored 'General case' 0 C--N 1.37 1.458 0 C-N-CA 126.729 2.011 . . . . 8.17 113.218 -175.056 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 35.1 ttm180 -142.27 144.13 33.16 Favored 'General case' 0 C--N 1.36 1.042 0 N-CA-C 105.604 -1.999 . . . . 11.25 105.604 178.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -99.9 -36.48 9.39 Favored 'General case' 0 C--N 1.363 1.182 0 C-N-CA 125.743 1.617 . . . . 9.1 110.947 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -92.27 74.26 5.35 Favored 'General case' 0 C--N 1.367 1.368 0 CA-C-O 124.763 2.221 . . . . 9.58 109.324 -178.667 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -146.57 69.19 1.18 Allowed 'General case' 0 N--CA 1.44 -0.967 0 CA-C-N 110.421 -3.081 . . . . 12.3 104.83 -170.605 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . 0.335 1.0 OUTLIER -49.36 -76.13 0.02 OUTLIER 'General case' 0 C--N 1.36 1.025 0 C-N-CA 129.596 3.158 . . . . 12.57 118.74 -178.215 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -104.78 128.59 52.98 Favored 'General case' 0 C--N 1.371 1.525 0 CA-C-N 121.786 2.084 . . . . 16.33 108.171 172.222 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 133.99 -32.94 2.6 Favored Glycine 0 C--N 1.359 1.846 0 C-N-CA 124.745 1.164 . . . . 15.41 111.091 172.458 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 23.3 t80 -65.9 -24.49 66.86 Favored 'General case' 0 C--N 1.366 1.29 0 C-N-CA 130.238 3.415 . . . . 13.81 116.146 -179.4 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -116.29 37.45 3.71 Favored 'General case' 0 N--CA 1.444 -0.755 0 C-N-CA 128.125 2.57 . . . . 14.6 110.094 -172.38 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 96.22 -98.47 2.2 Favored Glycine 0 C--N 1.362 2.016 0 C-N-CA 125.811 1.672 . . . . 15.93 109.809 -178.474 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 62.4 t-80 -150.94 94.34 3.56 Favored Pre-proline 0 C--N 1.356 0.882 0 N-CA-C 105.125 -2.176 . . . . 18.34 105.125 171.428 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo . . . . . 0 C--O 1.261 1.675 0 C-N-CA 123.498 2.799 . . . . 17.68 110.777 175.33 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.269 0 CA-C-O 121.416 0.627 . . . . 17.23 110.575 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.8 t -155.65 -141.04 0.09 Allowed 'General case' 0 C--N 1.359 0.989 0 N-CA-C 104.277 -2.49 . . . . 16.87 104.277 -179.42 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -136.69 17.28 3.09 Favored 'General case' 0 C--N 1.359 1.007 0 C-N-CA 126.546 1.938 . . . . 17.01 106.088 170.263 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.2 -144.08 8.55 Favored Glycine 0 C--N 1.362 1.996 0 C-N-CA 126.969 2.223 . . . . 15.79 107.978 175.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.4 mp -126.07 105.24 25.64 Favored Pre-proline 0 C--N 1.365 1.247 0 CA-C-O 115.511 -2.185 . . . . 16.2 105.954 179.064 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -83.05 150.2 13.8 Favored 'Trans proline' 0 C--N 1.368 1.583 0 CA-C-N 126.262 3.272 . . . . 14.32 111.728 -166.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 12.5 p-10 -100.23 -22.14 15.24 Favored 'General case' 0 C--N 1.362 1.149 0 C-N-CA 126.333 1.853 . . . . 15.54 112.232 -175.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -113.34 37.94 3.03 Favored 'General case' 0 C--N 1.364 1.23 0 C-N-CA 125.65 1.58 . . . . 17.23 109.193 -178.357 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -161.09 -48.76 0.04 OUTLIER 'General case' 0 C--N 1.357 0.914 0 N-CA-C 105.695 -1.965 . . . . 14.38 105.695 179.11 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.279 23.4 mmt85 88.56 -45.79 0.03 OUTLIER 'General case' 0 C--N 1.369 1.42 0 C-N-CA 129.272 3.029 . . . . 13.85 113.102 177.662 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -94.27 141.98 27.94 Favored 'General case' 0 C--N 1.361 1.109 0 C-N-CA 126.876 2.071 . . . . 13.21 110.534 -176.145 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . 0.328 8.4 ptm180 49.23 127.65 0.0 OUTLIER 'General case' 0 C--N 1.364 1.203 1 C-N-CA 132.923 4.489 . . . . 10.61 119.274 176.148 . . . . . . . . 3 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 49.6 mmm-85 -98.3 167.93 10.54 Favored 'General case' 0 C--N 1.369 1.433 0 C-N-CA 129.425 3.09 . . . . 8.2 110.112 14.349 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.307 4.0 t -104.59 18.34 4.86 Favored 'Isoleucine or valine' 0 C--N 1.364 1.217 0 C-N-CA 130.002 3.321 . . . . 4.36 110.098 -160.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.7 mp -84.62 100.07 11.19 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 129.53 3.132 . . . . 5.24 110.641 -172.11 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -87.3 151.47 23.09 Favored 'General case' 0 C--N 1.365 1.245 0 C-N-CA 127.952 2.501 . . . . 1.53 115.369 -166.09 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 27.4 m -112.1 -169.98 1.57 Allowed 'General case' 0 C--N 1.368 1.383 0 C-N-CA 127.37 2.268 . . . . 1.31 107.512 170.076 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 50.2 pttt -81.21 -1.15 43.65 Favored 'General case' 0 C--N 1.369 1.428 0 C-N-CA 126.807 2.043 . . . . 3.73 115.927 -169.356 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -81.46 -41.48 21.75 Favored 'General case' 0 C--N 1.364 1.217 0 C-N-CA 126.482 1.913 . . . . 1.13 112.07 166.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 37.2 mm-40 -77.33 -45.67 25.4 Favored 'General case' 0 C--N 1.365 1.259 0 C-N-CA 128.181 2.592 . . . . 0.86 112.64 -169.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 76.1 p -69.17 -36.64 77.58 Favored 'General case' 0 C--N 1.371 1.504 0 C-N-CA 127.208 2.203 . . . . 1.12 111.953 -179.256 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -60.7 -53.59 55.62 Favored 'General case' 0 C--N 1.367 1.367 0 C-N-CA 130.374 3.47 . . . . 1.22 113.487 177.348 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -72.46 -37.55 68.49 Favored 'General case' 0 C--N 1.364 1.209 0 C-N-CA 126.18 1.792 . . . . 1.06 115.315 -176.143 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 92.9 mt -68.1 -40.74 82.51 Favored 'General case' 0 C--N 1.365 1.25 0 C-N-CA 126.478 1.911 . . . . 1.05 114.75 177.211 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -70.37 -33.73 71.78 Favored 'General case' 0 C--N 1.363 1.186 0 C-N-CA 126.332 1.853 . . . . 1.66 115.08 174.148 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.7 ptp180 -76.24 -33.13 59.18 Favored 'General case' 0 C--N 1.371 1.513 0 N-CA-C 116.155 1.909 . . . . 2.54 116.155 -178.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.269 2.3 mmm180 -75.9 -21.25 57.31 Favored 'General case' 0 C--N 1.371 1.538 0 N-CA-C 113.201 0.815 . . . . 1.89 113.201 166.071 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -75.41 -23.05 56.98 Favored 'General case' 0 C--N 1.371 1.508 0 CA-C-N 120.671 1.578 . . . . 0.83 114.678 174.083 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 36.0 mmt-85 -86.06 -40.18 16.02 Favored 'General case' 0 C--N 1.364 1.23 0 C-N-CA 125.776 1.63 . . . . 4.57 113.408 177.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 66.8 tp60 -86.03 -21.34 27.8 Favored 'General case' 0 C--N 1.368 1.388 0 C-N-CA 128.202 2.601 . . . . 2.53 112.773 -177.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.3 mm100 -134.22 -176.17 4.11 Favored 'General case' 0 C--N 1.362 1.12 0 N-CA-C 106.678 -1.601 . . . . 2.04 106.678 -177.51 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 28.0 mtp85 -106.11 -58.11 1.96 Allowed 'General case' 0 C--N 1.36 1.023 0 C-N-CA 126.376 1.87 . . . . 4.25 111.396 146.468 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 47.7 p90 -121.62 148.73 44.16 Favored 'General case' 0 N--CA 1.44 -0.937 0 C-N-CA 129.374 3.07 . . . . 5.9 108.574 -157.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -152.16 120.53 6.37 Favored 'General case' 0 N--CA 1.441 -0.92 0 N-CA-C 103.904 -2.628 . . . . 1.23 103.904 -167.043 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 26.3 p -89.02 169.37 11.58 Favored 'General case' 0 C--N 1.368 1.373 0 C-N-CA 128.23 2.612 . . . . 2.04 109.571 -171.414 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.53 -37.25 21.3 Favored Pre-proline 0 C--N 1.366 1.31 0 N-CA-C 120.253 3.427 . . . . 1.23 120.253 -173.077 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -67.68 -30.21 34.94 Favored 'Trans proline' 0 C--N 1.36 1.161 0 C-N-CA 124.282 3.322 . . . . 1.03 115.062 173.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -101.02 -21.45 15.02 Favored 'General case' 0 C--N 1.363 1.157 0 C-N-CA 126.535 1.934 . . . . 1.7 114.507 178.204 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 65.2 ttp85 -84.23 -35.09 23.69 Favored 'General case' 0 C--N 1.375 1.683 0 C-N-CA 126.08 1.752 . . . . 3.04 112.231 -178.449 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 54.7 mm-40 -79.78 -21.06 44.84 Favored 'General case' 0 C--N 1.366 1.283 0 C-N-CA 127.404 2.281 . . . . 1.74 112.279 177.355 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 20.4 t60 -83.34 -30.12 27.72 Favored 'General case' 0 C--N 1.365 1.277 0 C-N-CA 128.293 2.637 . . . . 2.01 111.51 178.639 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.4 -47.99 71.53 Favored 'General case' 0 C--N 1.371 1.501 0 C-N-CA 129.574 3.15 . . . . 1.19 111.57 171.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.87 -28.95 66.07 Favored 'General case' 0 C--N 1.354 0.78 0 C-N-CA 128.609 2.764 . . . . 1.07 116.513 179.255 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 75.7 m -83.26 -28.25 29.29 Favored 'General case' 0 C--N 1.361 1.095 0 C-N-CA 126.04 1.736 . . . . 1.03 112.871 174.096 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -73.41 -37.28 65.99 Favored 'General case' 0 C--N 1.362 1.146 0 C-N-CA 127.281 2.232 . . . . 2.35 113.024 175.421 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.656 HD11 HD22 ' A' ' 48' ' ' LEU . 2.8 pt -105.59 -13.4 9.36 Favored 'Isoleucine or valine' 0 C--N 1.366 1.319 0 C-N-CA 124.566 1.146 . . . . 1.07 112.317 -173.83 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 15.7 tpp180 87.58 41.76 0.01 OUTLIER 'General case' 0 C--N 1.37 1.495 0 C-N-CA 129.109 2.964 . . . . 3.61 115.132 164.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.656 HD22 HD11 ' A' ' 46' ' ' ILE . 0.2 OUTLIER -113.2 179.31 4.0 Favored 'General case' 0 C--N 1.361 1.108 0 C-N-CA 125.71 1.604 . . . . 1.12 110.115 -179.034 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 72.8 p -96.62 151.62 38.06 Favored Pre-proline 0 C--N 1.366 1.318 0 C-N-CA 127.244 2.218 . . . . 1.36 109.187 175.624 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.413 ' HA ' HG12 ' A' ' 53' ' ' VAL . 10.5 Cg_exo -57.27 -18.36 30.03 Favored 'Trans proline' 0 C--N 1.366 1.448 1 C-N-CA 126.515 4.81 . . . . 1.0 118.47 172.719 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 14.7 t -88.77 -41.0 12.8 Favored 'General case' 0 C--N 1.366 1.298 0 CA-C-N 120.13 1.332 . . . . 1.13 111.827 -174.547 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -67.01 -38.34 85.78 Favored 'General case' 0 C--N 1.364 1.22 0 C-N-CA 126.846 2.059 . . . . 1.04 113.351 172.024 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.413 HG12 ' HA ' ' A' ' 50' ' ' PRO . 10.3 p -65.63 -46.69 88.68 Favored 'Isoleucine or valine' 0 C--N 1.382 1.992 0 N-CA-C 113.821 1.045 . . . . 1.07 113.821 173.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.39 -43.09 99.64 Favored 'General case' 0 C--N 1.374 1.659 0 C-N-CA 126.013 1.725 . . . . 1.54 115.267 179.549 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.279 12.1 mt -85.12 -9.6 11.38 Favored 'Isoleucine or valine' 0 C--N 1.367 1.338 0 C-N-CA 125.271 1.428 . . . . 1.32 114.692 -179.417 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 38.7 t90 -75.24 -40.88 58.6 Favored 'General case' 0 C--N 1.381 1.948 0 CA-C-N 120.225 1.375 . . . . 0.28 110.936 165.26 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -79.4 -14.28 59.05 Favored 'General case' 0 C--N 1.368 1.383 0 C-N-CA 124.96 1.304 . . . . 0.46 114.149 178.107 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -75.38 -43.28 51.11 Favored 'General case' 0 C--N 1.362 1.122 0 C-N-CA 127.346 2.258 . . . . 1.34 112.489 169.064 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 56.6 m-20 -95.0 -25.71 16.38 Favored 'General case' 0 C--N 1.365 1.244 0 C-N-CA 125.561 1.545 . . . . 0.56 114.327 -168.531 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -90.55 24.93 2.45 Favored 'General case' 0 C--N 1.367 1.347 0 N-CA-C 114.466 1.284 . . . . 2.39 114.466 -170.418 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . 0.284 0.0 OUTLIER -85.78 -38.49 18.14 Favored 'General case' 0 C--N 1.364 1.227 0 C-N-CA 125.384 1.474 . . . . 3.79 112.994 158.735 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER 73.76 24.58 2.12 Favored 'General case' 0 N--CA 1.507 2.404 0 N-CA-C 115.924 1.824 . . . . 6.38 115.924 134.561 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . 0.267 0.0 OUTLIER 53.95 63.35 2.22 Favored 'General case' 0 N--CA 1.499 2.022 0 C-N-CA 127.202 2.201 . . . . 5.9 113.866 -174.624 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . 0.289 2.9 p -57.25 -30.94 65.06 Favored 'General case' 0 C--N 1.358 0.951 0 N-CA-C 120.066 3.358 . . . . 3.68 120.066 -139.25 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -75.5 -34.07 60.81 Favored 'General case' 0 C--N 1.363 1.167 0 C-N-CA 126.707 2.003 . . . . 8.17 115.008 177.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 27.3 mmt85 -124.8 67.12 1.1 Allowed 'General case' 0 C--N 1.366 1.285 0 N-CA-C 105.762 -1.94 . . . . 11.25 105.762 176.429 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -100.25 -27.9 13.26 Favored 'General case' 0 C--N 1.367 1.344 0 C-N-CA 126.06 1.744 . . . . 9.1 110.302 -172.18 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . 2.306 0.0 OUTLIER -67.12 -31.01 71.18 Favored 'General case' 0 C--N 1.376 1.721 0 C-N-CA 130.456 3.502 . . . . 9.58 112.848 165.27 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . 2.277 0.9 OUTLIER -59.83 -21.87 61.49 Favored 'General case' 0 CA--C 1.495 -1.145 1 C-N-CA 133.077 4.551 . . . . 12.3 117.224 -176.143 . . . . . . . . 4 3 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -46.89 -29.93 2.26 Favored 'General case' 0 C--N 1.362 1.149 1 N-CA-C 122.039 4.088 . . . . 12.57 122.039 -162.013 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.52 121.07 42.7 Favored 'General case' 0 C--N 1.368 1.412 0 CA-C-N 121.506 1.957 . . . . 16.33 108.767 160.783 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 128.6 -51.57 0.85 Allowed Glycine 0 C--N 1.356 1.658 0 N-CA-C 108.376 -1.89 . . . . 15.41 108.376 179.183 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 20.7 t80 -77.43 -19.66 55.73 Favored 'General case' 0 C--N 1.36 1.043 0 C-N-CA 128.737 2.815 . . . . 13.81 115.732 -172.314 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -121.15 42.63 3.01 Favored 'General case' 0 N--CA 1.44 -0.946 0 C-N-CA 128.132 2.573 . . . . 14.6 108.291 -175.615 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 161.72 -114.87 0.63 Allowed Glycine 0 C--N 1.356 1.692 0 N-CA-C 107.086 -2.405 . . . . 15.93 107.086 179.415 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -146.9 140.63 15.21 Favored Pre-proline 0 C--N 1.36 1.037 0 N-CA-C 105.045 -2.206 . . . . 18.34 105.045 -178.276 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo . . . . . 0 C--O 1.262 1.705 0 C-N-CA 123.731 2.954 . . . . 17.68 109.21 173.775 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 121.324 0.583 . . . . 17.23 110.976 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.6 m -140.28 -149.07 0.26 Allowed 'General case' 0 C--N 1.362 1.126 0 N-CA-C 105.759 -1.941 . . . . 16.87 105.759 -177.585 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -156.34 145.66 20.64 Favored 'General case' 0 C--N 1.362 1.115 0 N-CA-C 104.961 -2.237 . . . . 17.01 104.961 -177.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.97 -138.46 4.16 Favored Glycine 0 C--N 1.356 1.645 0 N-CA-C 107.315 -2.314 . . . . 15.79 107.315 -178.334 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . 0.287 16.9 mt -117.37 -58.38 0.04 OUTLIER Pre-proline 0 C--N 1.364 1.237 0 CA-C-O 116.025 -1.941 . . . . 16.2 110.566 -178.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -80.98 114.09 2.84 Favored 'Trans proline' 0 C--N 1.366 1.473 0 C-N-CA 123.799 3.0 . . . . 14.32 111.037 176.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 48.3 t30 -98.8 71.75 1.93 Allowed 'General case' 0 C--N 1.367 1.357 0 C-N-CA 127.467 2.307 . . . . 15.54 106.995 177.587 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -129.9 -32.41 1.87 Allowed 'General case' 0 C--N 1.358 0.953 0 C-N-CA 126.739 2.016 . . . . 17.23 106.325 -170.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 42.1 ttmt -151.84 143.23 23.42 Favored 'General case' 0 C--N 1.359 0.98 0 N-CA-C 103.111 -2.922 . . . . 14.38 103.111 167.676 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 32.3 mmt180 -124.45 69.01 1.08 Allowed 'General case' 0 C--N 1.362 1.131 0 C-N-CA 124.998 1.319 . . . . 13.85 107.952 176.585 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . 0.299 58.8 tttt 83.01 -92.61 0.01 OUTLIER 'General case' 0 C--N 1.363 1.176 0 C-N-CA 128.614 2.766 . . . . 13.21 114.083 165.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.403 ' HA ' ' HA ' ' A' ' 13' ' ' ARG . 3.9 ptp180 -55.68 121.15 8.48 Favored 'General case' 0 C--N 1.363 1.182 0 C-N-CA 130.504 3.522 . . . . 10.61 117.725 -172.447 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.403 ' HA ' ' HA ' ' A' ' 12' ' ' ARG . 18.0 mmm180 -97.11 169.03 10.09 Favored 'General case' 0 C--N 1.374 1.632 0 C-N-CA 130.552 3.541 . . . . 8.2 110.181 -3.14 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.29 11.0 t -101.58 18.07 3.68 Favored 'Isoleucine or valine' 0 C--N 1.366 1.308 0 C-N-CA 129.735 3.214 . . . . 4.36 111.199 -158.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 79.2 mt -78.7 102.63 8.16 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 129.502 3.121 . . . . 5.24 112.711 -172.231 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.488 ' HB3' ' HB2' ' A' ' 20' ' ' GLN . 22.7 m-85 -105.18 150.43 25.08 Favored 'General case' 0 N--CA 1.435 -1.201 0 C-N-CA 128.874 2.869 . . . . 1.53 112.446 -170.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 30.7 m -107.46 -173.57 2.32 Favored 'General case' 0 C--N 1.365 1.275 0 C-N-CA 127.156 2.183 . . . . 1.31 107.649 173.342 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -85.34 10.68 11.97 Favored 'General case' 0 C--N 1.368 1.403 0 C-N-CA 126.464 1.906 . . . . 3.73 115.392 -169.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.24 -44.12 13.17 Favored 'General case' 0 C--N 1.362 1.129 0 C-N-CA 126.655 1.982 . . . . 1.13 112.343 159.221 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.488 ' HB2' ' HB3' ' A' ' 16' ' ' PHE . 50.0 mm-40 -77.0 -45.78 26.11 Favored 'General case' 0 C--N 1.369 1.425 0 C-N-CA 128.331 2.652 . . . . 0.86 111.996 -171.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 72.2 p -67.64 -34.67 77.43 Favored 'General case' 0 C--N 1.374 1.639 0 C-N-CA 128.289 2.636 . . . . 1.12 112.11 177.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -58.28 -57.4 13.04 Favored 'General case' 0 C--N 1.371 1.542 0 C-N-CA 128.719 2.808 . . . . 1.22 112.717 174.241 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -66.8 -37.47 84.61 Favored 'General case' 0 C--N 1.369 1.436 0 C-N-CA 125.969 1.707 . . . . 1.06 115.536 -175.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 98.6 mt -66.89 -37.15 83.84 Favored 'General case' 0 C--N 1.364 1.198 0 C-N-CA 126.98 2.112 . . . . 1.05 115.747 176.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -77.01 -27.08 54.49 Favored 'General case' 0 C--N 1.359 0.984 0 C-N-CA 126.74 2.016 . . . . 1.66 114.332 176.352 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 11.3 mtm180 -69.57 -45.6 68.31 Favored 'General case' 0 C--N 1.377 1.796 0 C-N-CA 124.521 1.128 . . . . 2.54 112.488 175.658 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.307 4.0 mmm180 -71.29 -28.07 63.87 Favored 'General case' 0 C--N 1.381 1.956 0 CA-C-N 115.685 -0.689 . . . . 1.89 112.592 -179.228 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -68.35 -36.02 78.61 Favored 'General case' 0 C--N 1.376 1.737 0 C-N-CA 128.016 2.527 . . . . 0.83 113.713 178.385 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.1 mmt85 -79.23 -14.83 58.8 Favored 'General case' 0 C--N 1.367 1.349 0 C-N-CA 124.846 1.258 . . . . 4.57 113.994 178.352 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 94.7 mm-40 -95.19 -31.99 13.26 Favored 'General case' 0 C--N 1.368 1.408 0 C-N-CA 126.004 1.721 . . . . 2.53 112.991 173.069 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -167.63 153.46 7.48 Favored 'General case' 0 C--N 1.366 1.311 0 N-CA-C 106.024 -1.843 . . . . 2.04 106.024 -166.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 77.0 mmt-85 -102.17 -34.05 9.42 Favored 'General case' 0 C--N 1.359 1.008 0 C-N-CA 124.788 1.235 . . . . 4.25 110.225 -175.667 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -121.06 139.03 53.88 Favored 'General case' 0 C--N 1.358 0.944 0 C-N-CA 125.897 1.679 . . . . 5.9 107.9 179.165 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -144.26 122.29 12.1 Favored 'General case' 0 CA--C 1.501 -0.919 0 C-N-CA 129.73 3.212 . . . . 1.23 102.356 -172.309 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 9.5 m -90.64 164.16 14.28 Favored 'General case' 0 C--N 1.366 1.313 0 C-N-CA 126.487 1.915 . . . . 2.04 109.864 -170.214 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -46.14 -35.13 3.83 Favored Pre-proline 0 C--N 1.367 1.352 0 N-CA-C 121.047 3.721 . . . . 1.23 121.047 -170.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_exo -66.98 -32.7 34.56 Favored 'Trans proline' 0 C--N 1.36 1.162 0 C-N-CA 124.265 3.31 . . . . 1.03 115.107 174.085 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -102.55 -19.3 14.91 Favored 'General case' 0 C--N 1.362 1.145 0 C-N-CA 126.239 1.815 . . . . 1.7 114.738 176.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 42.1 ttp180 -80.02 -41.97 24.74 Favored 'General case' 0 C--N 1.375 1.681 0 C-N-CA 126.243 1.817 . . . . 3.04 111.68 -179.436 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -81.47 -20.17 40.8 Favored 'General case' 0 C--N 1.369 1.443 0 C-N-CA 126.711 2.004 . . . . 1.74 112.287 -177.472 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 21.2 t60 -84.29 -26.13 28.8 Favored 'General case' 0 C--N 1.365 1.282 0 C-N-CA 128.222 2.609 . . . . 2.01 111.469 177.15 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -74.76 -31.74 61.87 Favored 'General case' 0 C--N 1.369 1.439 0 C-N-CA 128.151 2.58 . . . . 1.19 111.844 171.625 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -82.26 -25.78 33.77 Favored 'General case' 0 C--N 1.364 1.196 0 C-N-CA 127.776 2.43 . . . . 1.07 113.384 176.524 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.3 t -85.08 -28.74 25.42 Favored 'General case' 0 C--N 1.357 0.918 0 C-N-CA 125.849 1.66 . . . . 1.03 112.562 176.342 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -76.11 -41.6 49.71 Favored 'General case' 0 C--N 1.362 1.116 0 C-N-CA 127.799 2.44 . . . . 2.35 112.109 177.154 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.2 pt -98.62 -14.72 7.66 Favored 'Isoleucine or valine' 0 C--N 1.367 1.334 0 C-N-CA 124.287 1.035 . . . . 1.07 112.007 -175.394 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 13.2 tpp180 93.32 52.18 0.0 OUTLIER 'General case' 0 C--N 1.376 1.727 0 C-N-CA 129.099 2.96 . . . . 3.61 114.179 160.235 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 75.0 mt -127.51 -162.64 1.18 Allowed 'General case' 0 C--N 1.367 1.361 0 C-N-CA 124.675 1.19 . . . . 1.12 111.293 -176.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 69.7 p -104.71 148.74 36.55 Favored Pre-proline 0 C--N 1.369 1.44 0 C-N-CA 128.38 2.672 . . . . 1.36 109.013 176.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -61.85 -20.12 68.14 Favored 'Trans proline' 0 C--N 1.361 1.216 1 C-N-CA 126.252 4.634 . . . . 1.0 117.258 170.37 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.9 t -87.99 -29.87 20.43 Favored 'General case' 0 C--N 1.365 1.245 0 C-N-CA 126.372 1.869 . . . . 1.13 111.215 -177.328 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -82.69 -32.46 28.07 Favored 'General case' 0 C--N 1.37 1.49 0 CA-C-N 119.576 1.08 . . . . 1.04 112.483 178.385 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 8.4 p -68.24 -41.95 84.26 Favored 'Isoleucine or valine' 0 C--N 1.38 1.93 0 C-N-CA 124.788 1.235 . . . . 1.07 112.658 170.618 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.83 -46.25 78.17 Favored 'General case' 0 C--N 1.371 1.5 0 C-N-CA 126.998 2.119 . . . . 1.54 115.811 172.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.304 5.9 mt -86.89 -8.86 11.1 Favored 'Isoleucine or valine' 0 C--N 1.366 1.324 0 N-CA-C 115.403 1.631 . . . . 1.32 115.403 -179.665 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 36.8 t90 -73.72 -40.77 63.33 Favored 'General case' 0 C--N 1.379 1.848 0 CA-C-N 120.124 1.329 . . . . 0.28 111.346 165.411 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -83.15 -11.72 57.65 Favored 'General case' 0 C--N 1.365 1.271 0 C-N-CA 126.425 1.89 . . . . 0.46 113.753 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -81.43 -40.27 23.63 Favored 'General case' 0 C--N 1.358 0.936 0 C-N-CA 127.441 2.296 . . . . 1.34 112.026 171.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 48.6 m-20 -93.78 -27.29 16.56 Favored 'General case' 0 C--N 1.366 1.309 0 C-N-CA 125.743 1.617 . . . . 0.56 114.085 -171.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -87.17 -5.28 59.04 Favored 'General case' 0 C--N 1.365 1.245 0 C-N-CA 125.096 1.358 . . . . 2.39 114.048 -176.258 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -89.1 75.26 7.93 Favored 'General case' 0 C--N 1.376 1.733 0 C-N-CA 129.069 2.948 . . . . 3.79 106.433 151.083 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . 0.327 0.1 OUTLIER -145.75 -112.96 0.09 Allowed 'General case' 0 N--CA 1.434 -1.24 0 C-N-CA 131.163 3.785 . . . . 6.38 111.314 31.46 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . 0.378 10.7 mptt 8.59 60.95 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.316 1 C-N-CA 136.075 5.75 . . . . 5.9 115.938 -133.635 . . . . . . . . 3 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . 0.269 15.1 m -70.06 -35.15 74.03 Favored 'General case' 0 C--N 1.359 1.006 0 C-N-CA 130.919 3.688 . . . . 3.68 117.458 -162.483 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 49.8 mmtm -91.13 53.92 2.47 Favored 'General case' 0 C--N 1.373 1.606 0 C-N-CA 127.328 2.251 . . . . 8.17 111.779 173.17 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 41.1 ttp180 -147.78 -177.77 5.9 Favored 'General case' 0 C--N 1.357 0.9 0 N-CA-C 105.961 -1.866 . . . . 11.25 105.961 -173.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -100.07 104.07 15.62 Favored 'General case' 0 C--N 1.361 1.069 0 C-N-CA 127.029 2.132 . . . . 9.1 106.923 166.432 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -95.08 95.45 8.59 Favored 'General case' 0 C--N 1.364 1.202 0 C-N-CA 125.851 1.66 . . . . 9.58 108.3 179.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -132.92 63.07 1.64 Allowed 'General case' 0 N--CA 1.438 -1.069 0 C-N-CA 127.03 2.132 . . . . 12.3 107.294 -176.333 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -90.83 146.02 24.28 Favored 'General case' 0 C--N 1.364 1.224 0 N-CA-C 103.967 -2.605 . . . . 12.57 103.967 134.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . 0.256 13.3 ptmm? -64.56 114.93 4.7 Favored 'General case' 0 C--N 1.359 0.984 0 N-CA-C 117.854 2.539 . . . . 16.33 117.854 -148.685 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 81.44 54.07 3.63 Favored Glycine 0 C--N 1.36 1.904 0 C-N-CA 127.632 2.539 . . . . 15.41 113.961 172.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . 0.256 10.4 m-85 -108.78 -76.71 0.61 Allowed 'General case' 0 C--N 1.359 0.981 0 C-N-CA 125.694 1.598 . . . . 13.81 110.832 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -97.84 63.49 1.68 Allowed 'General case' 0 N--CA 1.446 -0.671 0 C-N-CA 128.469 2.707 . . . . 14.6 109.765 179.118 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 112.1 -127.81 8.25 Favored Glycine 0 C--N 1.361 1.917 0 C-N-CA 127.148 2.309 . . . . 15.93 109.201 179.216 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 71.3 m-70 -113.62 160.12 33.0 Favored Pre-proline 0 C--N 1.364 1.213 0 C-N-CA 126.888 2.075 . . . . 18.34 106.956 176.548 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo . . . . . 0 C--O 1.262 1.718 0 C-N-CA 123.993 3.129 . . . . 17.68 110.024 173.668 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.581 0.229 . . . . 17.23 110.921 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.0 p -147.24 -28.01 0.37 Allowed 'General case' 0 C--N 1.362 1.142 0 N-CA-C 107.782 -1.192 . . . . 16.87 107.782 -179.545 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 19.0 p30 -142.22 72.78 1.39 Allowed 'General case' 0 C--N 1.358 0.971 0 N-CA-C 106.022 -1.844 . . . . 17.01 106.022 -179.332 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.33 144.43 9.71 Favored Glycine 0 C--N 1.361 1.942 0 N-CA-C 108.346 -1.902 . . . . 15.79 108.346 -172.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 22.8 mt -126.04 165.14 29.13 Favored Pre-proline 0 C--N 1.362 1.117 0 N-CA-C 105.597 -2.001 . . . . 16.2 105.597 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -84.56 76.64 3.35 Favored 'Trans proline' 0 C--N 1.367 1.507 0 C-N-CA 123.738 2.959 . . . . 14.32 110.699 176.23 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -159.23 -69.44 0.08 Allowed 'General case' 0 N--CA 1.441 -0.904 0 N-CA-C 103.633 -2.729 . . . . 15.54 103.633 -178.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.3 pttm -148.51 145.06 27.74 Favored 'General case' 0 C--N 1.357 0.905 0 N-CA-C 106.897 -1.52 . . . . 17.23 106.897 -174.351 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -167.01 90.45 0.37 Allowed 'General case' 0 CA--C 1.504 -0.823 0 N-CA-C 103.953 -2.61 . . . . 14.38 103.953 179.483 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 72.91 85.7 0.11 Allowed 'General case' 0 C--N 1.368 1.372 0 C-N-CA 128.837 2.855 . . . . 13.85 113.369 176.292 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 87.8 mttt 74.79 32.94 0.81 Allowed 'General case' 0 C--N 1.366 1.294 0 C-N-CA 127.162 2.185 . . . . 13.21 113.527 174.043 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.535 ' HD2' HD23 ' A' ' 15' ' ' LEU . 0.1 OUTLIER 61.77 126.14 0.01 OUTLIER 'General case' 0 C--N 1.367 1.351 0 C-N-CA 131.087 3.755 . . . . 10.61 117.564 174.38 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 27.7 mmm180 -87.13 133.07 33.67 Favored 'General case' 0 C--N 1.368 1.377 0 C-N-CA 127.824 2.45 . . . . 8.2 110.602 -179.23 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 32.8 m -77.7 121.03 29.48 Favored 'Isoleucine or valine' 0 C--N 1.363 1.184 0 CA-C-O 123.837 1.78 . . . . 4.36 114.404 -80.248 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.535 HD23 ' HD2' ' A' ' 12' ' ' ARG . 3.3 mm? -136.53 150.24 48.53 Favored 'General case' 0 N--CA 1.431 -1.38 0 C-N-CA 129.744 3.218 . . . . 5.24 102.401 176.58 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -105.9 91.07 3.58 Favored 'General case' 0 N--CA 1.435 -1.218 0 C-N-CA 127.161 2.184 . . . . 1.53 105.847 178.175 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 20.8 m -104.18 -172.32 2.09 Favored 'General case' 0 C--N 1.35 0.614 0 C-N-CA 128.305 2.642 . . . . 1.31 108.591 -174.655 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.22 -0.38 24.97 Favored 'General case' 0 C--N 1.369 1.421 0 C-N-CA 127.112 2.165 . . . . 3.73 116.113 -170.673 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.32 -47.64 9.83 Favored 'General case' 0 C--N 1.361 1.09 0 C-N-CA 126.388 1.875 . . . . 1.13 111.924 164.555 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 42.9 mm-40 -69.64 -45.52 68.26 Favored 'General case' 0 C--N 1.374 1.645 0 C-N-CA 128.365 2.666 . . . . 0.86 112.719 -173.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 77.3 p -73.97 -30.31 62.44 Favored 'General case' 0 C--N 1.367 1.346 0 C-N-CA 126.943 2.097 . . . . 1.12 112.32 -178.047 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 46.4 t80 -68.98 -47.56 65.3 Favored 'General case' 0 C--N 1.363 1.165 0 C-N-CA 127.498 2.319 . . . . 1.22 112.978 -179.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -73.66 -38.37 64.97 Favored 'General case' 0 C--N 1.359 0.986 0 N-CA-C 115.652 1.723 . . . . 1.06 115.652 -179.452 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 94.4 mt -69.55 -42.01 75.16 Favored 'General case' 0 C--N 1.362 1.115 0 C-N-CA 126.077 1.751 . . . . 1.05 114.884 178.61 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 80.4 mt-10 -70.8 -32.12 69.1 Favored 'General case' 0 C--N 1.364 1.206 0 C-N-CA 127.24 2.216 . . . . 1.66 114.903 174.724 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . 0.264 5.5 ptp180 -73.63 -41.64 62.5 Favored 'General case' 0 C--N 1.374 1.633 0 N-CA-C 115.234 1.568 . . . . 2.54 115.234 177.428 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.485 0.0 OUTLIER -86.07 1.9 48.61 Favored 'General case' 0 C--N 1.369 1.438 0 N-CA-C 115.732 1.753 . . . . 1.89 115.732 170.455 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -83.16 -36.66 24.56 Favored 'General case' 0 C--N 1.368 1.389 0 C-N-CA 124.741 1.216 . . . . 0.83 113.651 158.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 23.6 mmm-85 -86.87 -49.69 7.23 Favored 'General case' 0 C--N 1.369 1.429 0 C-N-CA 125.205 1.402 . . . . 4.57 114.384 -171.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . 0.27 0.0 OUTLIER -93.94 9.64 36.65 Favored 'General case' 0 C--N 1.369 1.421 0 C-N-CA 125.773 1.629 . . . . 2.53 113.15 -178.295 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -143.15 173.77 11.28 Favored 'General case' 0 C--N 1.361 1.107 0 N-CA-C 103.835 -2.654 . . . . 2.04 103.835 174.026 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.409 ' O ' HD12 ' A' ' 34' ' ' LEU . 10.8 mtp-105 -102.42 -76.85 0.57 Allowed 'General case' 0 C--N 1.362 1.148 0 N-CA-C 102.06 -3.311 . . . . 4.25 102.06 129.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . 2.299 4.3 m-85 55.19 67.76 0.97 Allowed 'General case' 0 C--N 1.368 1.395 0 C-N-CA 131.256 3.822 . . . . 5.9 117.759 127.546 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.409 HD12 ' O ' ' A' ' 32' ' ' ARG 0.253 0.0 OUTLIER -162.54 119.59 2.0 Favored 'General case' 0 C--N 1.352 0.705 0 N-CA-C 106.822 -1.547 . . . . 1.23 106.822 173.483 . . . . . . . . 4 4 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 13.6 m -106.98 166.78 10.35 Favored 'General case' 0 C--N 1.375 1.68 0 C-N-CA 125.878 1.671 . . . . 2.04 106.952 -177.582 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -43.49 -37.16 2.58 Favored Pre-proline 0 C--N 1.368 1.404 0 N-CA-C 120.928 3.677 . . . . 1.23 120.928 -172.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -67.53 -33.84 27.66 Favored 'Trans proline' 0 C--N 1.363 1.299 0 C-N-CA 124.435 3.423 . . . . 1.03 115.394 175.087 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -101.3 -9.19 21.43 Favored 'General case' 0 C--N 1.364 1.21 0 C-N-CA 125.679 1.592 . . . . 1.7 114.478 176.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 35.7 ttt85 -88.89 -43.42 11.2 Favored 'General case' 0 C--N 1.366 1.318 0 C-N-CA 127.385 2.274 . . . . 3.04 111.857 -176.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -83.24 -19.69 35.94 Favored 'General case' 0 C--N 1.369 1.447 0 C-N-CA 126.524 1.93 . . . . 1.74 111.923 177.614 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 40.3 t-80 -84.76 -25.12 28.47 Favored 'General case' 0 C--N 1.367 1.334 0 C-N-CA 127.151 2.18 . . . . 2.01 111.49 176.303 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -69.53 -33.91 73.49 Favored 'General case' 0 C--N 1.371 1.512 0 C-N-CA 128.047 2.539 . . . . 1.19 112.188 166.635 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -74.19 -27.5 60.83 Favored 'General case' 0 C--N 1.362 1.15 0 C-N-CA 126.764 2.026 . . . . 1.07 114.015 172.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 50.1 m -83.34 -28.28 29.12 Favored 'General case' 0 C--N 1.358 0.953 0 C-N-CA 125.305 1.442 . . . . 1.03 113.988 173.495 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -77.39 -38.9 48.9 Favored 'General case' 0 C--N 1.362 1.148 0 C-N-CA 127.912 2.485 . . . . 2.35 112.147 179.554 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.6 pt -100.08 -18.29 6.39 Favored 'Isoleucine or valine' 0 C--N 1.366 1.288 0 C-N-CA 124.654 1.182 . . . . 1.07 111.264 -175.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 17.6 tpt180 84.23 67.37 0.01 OUTLIER 'General case' 0 C--N 1.372 1.544 0 C-N-CA 129.131 2.972 . . . . 3.61 113.626 169.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 93.3 mt -137.27 -160.47 1.06 Allowed 'General case' 0 C--N 1.354 0.788 0 N-CA-C 106.704 -1.591 . . . . 1.12 106.704 173.004 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 77.1 p -107.67 145.84 32.14 Favored Pre-proline 0 C--N 1.364 1.221 0 C-N-CA 127.085 2.154 . . . . 1.36 107.414 175.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_exo -61.35 -18.01 56.58 Favored 'Trans proline' 0 C--N 1.366 1.456 1 C-N-CA 125.984 4.456 . . . . 1.0 116.484 171.542 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.8 t -85.52 -29.88 23.87 Favored 'General case' 0 C--N 1.366 1.307 0 C-N-CA 127.723 2.409 . . . . 1.13 111.253 -178.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . 0.25 9.1 pt20 -84.56 -31.45 24.35 Favored 'General case' 0 C--N 1.373 1.629 0 CA-C-N 119.505 1.048 . . . . 1.04 112.72 178.408 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 5.8 p -68.55 -33.68 61.26 Favored 'Isoleucine or valine' 0 C--N 1.379 1.872 0 C-N-CA 124.582 1.153 . . . . 1.07 112.869 167.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.01 -55.18 25.53 Favored 'General case' 0 C--N 1.371 1.508 0 C-N-CA 128.083 2.553 . . . . 1.54 116.241 166.741 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.267 4.9 mt -82.6 -6.5 10.06 Favored 'Isoleucine or valine' 0 C--N 1.368 1.382 0 N-CA-C 114.551 1.315 . . . . 1.32 114.551 179.429 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 25.5 t90 -76.38 -43.13 42.05 Favored 'General case' 0 C--N 1.376 1.753 0 C-N-CA 125.726 1.61 . . . . 0.28 111.186 169.399 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -80.23 -14.12 58.68 Favored 'General case' 0 C--N 1.37 1.474 0 C-N-CA 126.591 1.956 . . . . 0.46 112.691 178.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -78.92 -37.59 39.45 Favored 'General case' 0 C--N 1.36 1.061 0 C-N-CA 127.56 2.344 . . . . 1.34 112.197 172.229 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 60.8 m-20 -90.65 -37.3 13.85 Favored 'General case' 0 C--N 1.366 1.286 0 C-N-CA 126.126 1.77 . . . . 0.56 113.818 -174.094 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -78.11 -5.23 50.93 Favored 'General case' 0 C--N 1.365 1.241 0 C-N-CA 125.965 1.706 . . . . 2.39 115.258 -171.065 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 11.6 ptm180 -86.25 51.81 2.32 Favored 'General case' 0 C--N 1.372 1.568 0 C-N-CA 129.855 3.262 . . . . 3.79 114.46 174.055 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -138.05 55.77 1.76 Allowed 'General case' 0 C--N 1.374 1.673 0 CA-C-N 120.406 1.457 . . . . 6.38 111.827 -177.456 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 53.58 34.5 18.72 Favored 'General case' 0 N--CA 1.498 1.95 0 C-N-CA 127.223 2.209 . . . . 5.9 115.449 176.402 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -81.14 -19.38 43.59 Favored 'General case' 0 C--N 1.369 1.417 0 C-N-CA 125.855 1.662 . . . . 3.68 115.472 -151.327 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 11.2 mmpt? -75.32 -52.41 10.88 Favored 'General case' 0 C--N 1.37 1.492 0 C-N-CA 126.931 2.092 . . . . 8.17 115.137 -166.077 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 8.4 ptp85 -147.97 -39.23 0.18 Allowed 'General case' 0 C--N 1.36 1.052 0 CA-C-N 118.107 0.412 . . . . 11.25 110.807 -165.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -100.13 93.22 5.6 Favored 'General case' 0 C--N 1.366 1.286 0 C-N-CA 124.291 1.036 . . . . 9.1 109.959 -179.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . 2.281 2.7 pt20 -54.52 -74.08 0.04 OUTLIER 'General case' 0 C--N 1.357 0.928 0 C-N-CA 130.575 3.55 . . . . 9.58 118.306 -173.558 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -123.47 53.12 1.36 Allowed 'General case' 0 CA--C 1.51 -0.592 0 C-N-CA 127.073 2.149 . . . . 12.3 109.093 -158.019 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . 0.507 9.2 pt-20 -52.25 -60.55 3.09 Favored 'General case' 0 N--CA 1.485 1.293 0 N-CA-C 118.478 2.769 . . . . 12.57 118.478 165.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.409 ' HD2' ' H ' ' A' ' 71' ' ' LYS . 0.0 OUTLIER -101.57 -177.09 3.33 Favored 'General case' 0 C--N 1.378 1.826 0 CA-C-N 122.035 2.198 . . . . 16.33 106.607 152.596 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -56.94 -39.82 89.66 Favored Glycine 0 C--N 1.359 1.817 1 C-N-CA 130.911 4.101 . . . . 15.41 116.873 -168.424 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . 2.53 0.0 OUTLIER 173.76 -120.38 0.0 OUTLIER 'General case' 0 N--CA 1.417 -2.086 0 N-CA-C 100.82 -3.77 . . . . 13.81 100.82 169.502 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -114.57 72.68 0.8 Allowed 'General case' 0 N--CA 1.438 -1.028 0 C-N-CA 131.344 3.858 . . . . 14.6 109.137 -169.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 113.64 -75.68 0.24 Allowed Glycine 0 C--N 1.356 1.673 0 N-CA-C 107.255 -2.338 . . . . 15.93 107.255 -174.548 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.42 ' H ' ' HD2' ' A' ' 77' ' ' PRO . 19.3 t-160 -148.45 -52.59 0.02 OUTLIER Pre-proline 0 C--N 1.356 0.869 0 CA-C-O 116.119 -1.896 . . . . 18.34 108.468 178.235 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.42 ' HD2' ' H ' ' A' ' 76' ' ' HIS . 39.9 Cg_endo . . . . . 0 C--O 1.261 1.645 0 CA-C-N 125.373 2.955 . . . . 17.68 109.994 172.532 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.726 0.298 . . . . 17.23 111.287 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.2 p -145.25 -48.89 0.24 Allowed 'General case' 0 C--N 1.36 1.056 0 N-CA-C 105.809 -1.923 . . . . 16.87 105.809 177.521 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -145.61 95.03 2.59 Favored 'General case' 0 C--N 1.358 0.976 0 N-CA-C 102.747 -3.057 . . . . 17.01 102.747 174.517 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.02 -136.87 2.62 Favored Glycine 0 C--N 1.357 1.725 0 N-CA-C 109.85 -1.3 . . . . 15.79 109.85 -173.841 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . 0.287 17.4 mt -104.99 -46.58 0.14 Allowed Pre-proline 0 C--N 1.364 1.225 0 CA-C-O 115.821 -2.038 . . . . 16.2 113.055 -173.898 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -85.49 77.68 2.65 Favored 'Trans proline' 0 C--N 1.366 1.485 0 CA-C-N 125.184 2.887 . . . . 14.32 110.621 -179.874 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -137.89 -50.8 0.6 Allowed 'General case' 0 C--N 1.358 0.975 0 N-CA-C 104.358 -2.46 . . . . 15.54 104.358 177.623 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -147.0 110.65 4.94 Favored 'General case' 0 C--N 1.358 0.975 0 N-CA-C 104.49 -2.411 . . . . 17.23 104.49 177.552 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -149.74 166.45 29.36 Favored 'General case' 0 C--N 1.356 0.883 0 N-CA-C 106.449 -1.686 . . . . 14.38 106.449 -178.166 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 70.0 mmt-85 -106.3 -154.43 0.52 Allowed 'General case' 0 C--N 1.364 1.209 0 C-N-CA 125.995 1.718 . . . . 13.85 109.232 -172.881 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.74 82.15 1.68 Allowed 'General case' 0 C--N 1.363 1.164 0 C-N-CA 126.398 1.879 . . . . 13.21 107.088 177.456 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.435 ' HD3' HH11 ' A' ' 13' ' ' ARG . 38.5 mmt180 -142.21 114.83 8.51 Favored 'General case' 0 N--CA 1.418 -2.038 0 C-N-CA 129.839 3.255 . . . . 10.61 104.943 -179.063 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.435 HH11 ' HD3' ' A' ' 12' ' ' ARG 1.905 27.9 mmm180 -44.75 -115.25 0.0 OUTLIER 'General case' 0 C--N 1.376 1.718 1 C-N-CA 138.506 6.722 . . . . 8.2 120.946 -3.774 . . . . . . . . 4 3 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.0 m -102.83 139.32 24.09 Favored 'Isoleucine or valine' 0 C--N 1.355 0.833 0 C-N-CA 128.491 2.716 . . . . 4.36 109.55 -177.907 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 mp -158.97 118.19 3.02 Favored 'General case' 0 C--N 1.357 0.902 0 N-CA-C 102.87 -3.011 . . . . 5.24 102.87 169.226 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -105.75 95.01 5.5 Favored 'General case' 0 C--N 1.363 1.172 0 C-N-CA 127.641 2.376 . . . . 1.53 106.575 172.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 24.7 m -117.32 -167.07 1.25 Allowed 'General case' 0 C--N 1.349 0.573 0 C-N-CA 127.774 2.429 . . . . 1.31 107.662 179.565 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.78 -9.04 58.26 Favored 'General case' 0 C--N 1.368 1.386 0 C-N-CA 127.157 2.183 . . . . 3.73 116.285 -170.105 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -82.64 -35.95 26.46 Favored 'General case' 0 C--N 1.365 1.25 0 C-N-CA 126.462 1.905 . . . . 1.13 112.552 172.161 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 45.8 mm-40 -73.85 -45.88 48.38 Favored 'General case' 0 C--N 1.369 1.418 0 C-N-CA 128.832 2.853 . . . . 0.86 111.757 -175.84 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 59.7 p -73.33 -29.95 63.01 Favored 'General case' 0 C--N 1.366 1.283 0 C-N-CA 126.509 1.924 . . . . 1.12 112.469 179.592 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 63.7 t80 -63.49 -52.42 61.39 Favored 'General case' 0 C--N 1.367 1.347 0 C-N-CA 128.188 2.595 . . . . 1.22 113.332 176.64 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -73.01 -38.47 66.57 Favored 'General case' 0 C--N 1.362 1.145 0 N-CA-C 115.612 1.708 . . . . 1.06 115.612 -177.676 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 88.1 mt -69.05 -42.94 75.63 Favored 'General case' 0 C--N 1.365 1.256 0 C-N-CA 126.492 1.917 . . . . 1.05 114.398 -179.585 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -70.6 -33.93 71.6 Favored 'General case' 0 C--N 1.362 1.11 0 C-N-CA 126.586 1.954 . . . . 1.66 115.247 173.017 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . 0.256 2.7 ptp180 -75.07 -34.22 61.76 Favored 'General case' 0 C--N 1.372 1.559 0 N-CA-C 116.56 2.059 . . . . 2.54 116.56 -177.835 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.329 22.9 mmm-85 -75.64 -29.51 59.16 Favored 'General case' 0 C--N 1.371 1.515 0 CA-C-O 118.594 -0.717 . . . . 1.89 112.785 166.23 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -70.01 -21.21 63.23 Favored 'General case' 0 C--N 1.376 1.746 0 C-N-CA 126.558 1.943 . . . . 0.83 113.869 -175.192 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.2 mmm180 -70.34 -34.64 72.89 Favored 'General case' 0 C--N 1.366 1.324 0 C-N-CA 126.363 1.865 . . . . 4.57 115.542 169.8 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -99.6 -31.04 11.79 Favored 'General case' 0 C--N 1.36 1.029 0 C-N-CA 126.058 1.743 . . . . 2.53 113.995 -174.569 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -153.5 147.82 25.9 Favored 'General case' 0 C--N 1.364 1.215 0 CA-C-N 119.9 1.227 . . . . 2.04 107.87 -170.042 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 12.5 mtm105 -105.37 -38.38 6.51 Favored 'General case' 0 C--N 1.365 1.261 0 C-N-CA 125.761 1.624 . . . . 4.25 111.56 -176.088 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -104.77 134.08 48.51 Favored 'General case' 0 C--N 1.363 1.187 0 C-N-CA 124.774 1.23 . . . . 5.9 111.81 -173.218 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . 2.041 0.7 OUTLIER -100.45 93.43 5.63 Favored 'General case' 0 C--N 1.361 1.088 0 C-N-CA 129.687 3.195 . . . . 1.23 111.072 -169.633 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.7 p -71.75 145.77 48.55 Favored 'General case' 0 C--N 1.379 1.851 0 CA-C-N 122.786 2.539 . . . . 2.04 111.616 172.175 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.12 -39.96 80.88 Favored Pre-proline 0 C--N 1.365 1.259 0 N-CA-C 119.962 3.319 . . . . 1.23 119.962 -161.972 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -68.23 -21.54 41.67 Favored 'Trans proline' 0 C--N 1.363 1.33 0 C-N-CA 124.554 3.503 . . . . 1.03 115.337 174.741 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -104.23 -15.78 15.39 Favored 'General case' 0 C--N 1.363 1.177 0 C-N-CA 125.955 1.702 . . . . 1.7 114.508 176.251 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.8 ttm105 -80.75 -46.13 15.96 Favored 'General case' 0 C--N 1.375 1.69 0 C-N-CA 126.867 2.067 . . . . 3.04 111.343 179.072 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -75.52 -28.01 58.94 Favored 'General case' 0 C--N 1.37 1.492 0 C-N-CA 128.667 2.787 . . . . 1.74 112.13 -178.213 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 46.2 t-80 -84.75 -26.26 27.73 Favored 'General case' 0 C--N 1.364 1.207 0 C-N-CA 127.849 2.46 . . . . 2.01 111.755 -177.146 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -71.61 -34.91 70.26 Favored 'General case' 0 C--N 1.367 1.365 0 C-N-CA 127.982 2.513 . . . . 1.19 112.292 170.679 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.59 -30.72 59.7 Favored 'General case' 0 C--N 1.365 1.262 0 C-N-CA 127.956 2.503 . . . . 1.07 114.275 174.789 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 70.8 m -85.09 -26.95 26.62 Favored 'General case' 0 C--N 1.362 1.122 0 C-N-CA 125.952 1.701 . . . . 1.03 113.112 177.893 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 52.1 tp -74.04 -40.99 62.46 Favored 'General case' 0 C--N 1.363 1.157 0 C-N-CA 127.707 2.403 . . . . 2.35 112.212 176.298 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.5 pt -101.19 -14.84 7.85 Favored 'Isoleucine or valine' 0 C--N 1.366 1.311 0 C-N-CA 123.759 0.823 . . . . 1.07 112.828 -174.176 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 16.5 tpp180 86.75 51.42 0.01 OUTLIER 'General case' 0 C--N 1.369 1.441 0 C-N-CA 128.399 2.68 . . . . 3.61 113.462 166.732 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 75.6 mt -129.1 -170.63 2.31 Favored 'General case' 0 C--N 1.362 1.138 0 C-N-CA 124.806 1.243 . . . . 1.12 107.788 176.661 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 81.5 p -94.04 146.7 32.12 Favored Pre-proline 0 C--N 1.37 1.488 0 C-N-CA 126.614 1.966 . . . . 1.36 108.988 178.631 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_exo -60.58 -21.03 67.34 Favored 'Trans proline' 0 C--N 1.363 1.296 1 C-N-CA 125.983 4.455 . . . . 1.0 116.963 172.315 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.9 t -87.53 -29.48 21.3 Favored 'General case' 0 C--N 1.366 1.3 0 C-N-CA 125.801 1.64 . . . . 1.13 111.356 -177.193 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -82.6 -30.64 29.36 Favored 'General case' 0 C--N 1.372 1.571 0 CA-C-N 119.465 1.029 . . . . 1.04 112.593 178.098 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 8.0 p -70.16 -42.75 79.19 Favored 'Isoleucine or valine' 0 C--N 1.377 1.791 0 C-N-CA 125.319 1.448 . . . . 1.07 112.692 172.798 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.46 -47.29 84.48 Favored 'General case' 0 C--N 1.374 1.639 0 C-N-CA 128.608 2.763 . . . . 1.54 113.255 175.761 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.295 6.5 mt -88.47 -5.63 10.54 Favored 'Isoleucine or valine' 0 C--N 1.365 1.282 0 N-CA-C 115.308 1.596 . . . . 1.32 115.308 -179.924 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 53.6 t90 -72.24 -39.15 68.69 Favored 'General case' 0 C--N 1.38 1.914 0 C-N-CA 125.898 1.679 . . . . 0.28 110.308 165.283 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -79.5 -34.36 41.34 Favored 'General case' 0 C--N 1.367 1.34 0 C-N-CA 125.624 1.569 . . . . 0.46 113.645 178.026 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -65.59 -39.66 91.83 Favored 'General case' 0 C--N 1.356 0.87 0 C-N-CA 128.212 2.605 . . . . 1.34 113.524 177.729 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -86.05 -10.3 55.22 Favored 'General case' 0 C--N 1.364 1.219 0 C-N-CA 127.115 2.166 . . . . 0.56 112.942 169.589 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . 2.093 0.1 OUTLIER -67.76 -50.6 56.32 Favored 'General case' 0 C--N 1.361 1.097 0 C-N-CA 130.042 3.337 . . . . 2.39 114.611 174.441 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . 0.369 0.3 OUTLIER -85.23 2.65 42.9 Favored 'General case' 0 C--N 1.376 1.745 0 N-CA-C 118.304 2.705 . . . . 3.79 118.304 -163.823 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.465 ' H ' ' HD1' ' A' ' 62' ' ' TYR 2.222 1.3 m-85 90.49 117.1 0.03 OUTLIER 'General case' 0 C--N 1.36 1.065 0 N-CA-C 118.48 2.77 . . . . 6.38 118.48 116.004 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . 2.117 0.1 OUTLIER -1.81 9.77 0.0 OUTLIER 'General case' 0 N--CA 1.502 2.144 2 C-N-CA 134.313 5.045 . . . . 5.9 124.592 101.669 . . . . . . . . 4 3 . 1 . 021 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . 2.162 71.9 p -44.69 17.51 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.536 1 C-N-CA 137.397 6.279 . . . . 3.68 121.726 -165.748 . . . . . . . . 3 2 . 1 . 021 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.8 ptpp? -90.51 63.64 5.59 Favored 'General case' 0 C--N 1.36 1.035 0 C-N-CA 130.094 3.358 . . . . 8.17 111.523 177.5 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 5.0 tmt_? -101.91 -48.57 4.22 Favored 'General case' 0 C--N 1.361 1.106 0 C-N-CA 127.12 2.168 . . . . 11.25 105.962 173.834 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . 0.304 . . -100.92 -107.03 0.23 Allowed 'General case' 0 C--N 1.365 1.244 0 N-CA-C 105.503 -2.036 . . . . 9.1 105.503 157.765 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -105.43 129.98 53.62 Favored 'General case' 0 C--N 1.369 1.435 1 C-N-CA 137.869 6.468 . . . . 9.58 101.831 -24.853 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . 0.34 0.6 OUTLIER -130.46 59.99 1.64 Allowed 'General case' 0 C--N 1.358 0.936 0 CA-C-O 123.935 1.826 . . . . 12.3 108.823 -174.292 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.6 mp0 -70.78 112.86 7.31 Favored 'General case' 0 C--N 1.367 1.351 0 C-N-CA 127.805 2.442 . . . . 12.57 110.141 148.583 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . 0.25 72.8 mmtt -52.06 115.1 1.54 Allowed 'General case' 0 C--N 1.356 0.868 0 N-CA-C 119.17 3.026 . . . . 16.33 119.17 -132.835 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 78.24 73.55 1.08 Allowed Glycine 0 C--N 1.357 1.74 1 C-N-CA 130.763 4.03 . . . . 15.41 114.381 173.284 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -138.41 -104.17 0.18 Allowed 'General case' 0 N--CA 1.441 -0.884 0 C-N-CA 126.901 2.081 . . . . 13.81 106.219 -176.692 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 24.9 pt-20 -113.32 75.24 0.91 Allowed 'General case' 0 N--CA 1.442 -0.827 0 C-N-CA 130.381 3.473 . . . . 14.6 108.077 -173.818 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -151.24 -95.11 0.12 Allowed Glycine 0 C--N 1.349 1.273 0 N-CA-C 106.209 -2.756 . . . . 15.93 106.209 -178.028 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 75.8 t60 -86.6 -39.48 0.54 Allowed Pre-proline 0 C--N 1.363 1.188 0 C-N-CA 126.236 1.814 . . . . 18.34 113.548 176.61 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo . . . . . 0 C--O 1.261 1.625 0 CA-C-N 124.866 2.774 . . . . 17.68 110.859 171.308 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.318 0 CA-C-O 120.618 0.247 . . . . 17.23 110.895 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.8 m -145.82 -32.57 0.36 Allowed 'General case' 0 C--N 1.364 1.213 0 N-CA-C 106.66 -1.607 . . . . 16.87 106.66 178.786 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -147.76 148.9 31.45 Favored 'General case' 0 C--N 1.359 0.981 0 N-CA-C 104.244 -2.502 . . . . 17.01 104.244 -176.223 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 119.12 -94.44 0.58 Allowed Glycine 0 C--N 1.364 2.132 0 N-CA-C 109.442 -1.463 . . . . 15.79 109.442 -177.929 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . 0.336 26.0 mt -85.68 -46.79 0.6 Allowed Pre-proline 0 C--N 1.371 1.521 0 CA-C-O 116.878 -1.534 . . . . 16.2 112.468 175.136 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -80.66 104.81 1.63 Allowed 'Trans proline' 0 C--N 1.362 1.259 0 C-N-CA 124.017 3.144 . . . . 14.32 110.255 165.941 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 31.7 p30 -106.25 57.84 0.65 Allowed 'General case' 0 C--N 1.361 1.075 0 C-N-CA 127.158 2.183 . . . . 15.54 110.361 -177.374 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.0 mptt -111.12 90.46 3.34 Favored 'General case' 0 C--N 1.363 1.178 0 C-N-CA 126.007 1.723 . . . . 17.23 106.775 -178.325 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 35.5 mmtp -124.96 76.34 1.52 Allowed 'General case' 0 C--N 1.362 1.127 0 N-CA-C 106.227 -1.768 . . . . 14.38 106.227 -179.127 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 30.9 ptt-85 -159.74 152.13 21.04 Favored 'General case' 0 C--N 1.357 0.924 0 N-CA-C 107.117 -1.438 . . . . 13.85 107.117 -177.926 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 29.9 pttt -140.22 -95.65 0.15 Allowed 'General case' 0 C--N 1.358 0.975 0 N-CA-C 104.632 -2.359 . . . . 13.21 104.632 177.916 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.483 HH11 HH11 ' A' ' 47' ' ' ARG . 22.5 ttp180 57.92 118.04 0.01 OUTLIER 'General case' 0 C--N 1.367 1.331 0 C-N-CA 130.256 3.422 . . . . 10.61 120.001 164.406 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 50.4 mmm-85 -96.61 135.77 38.07 Favored 'General case' 0 C--N 1.367 1.342 0 C-N-CA 126.212 1.805 . . . . 8.2 106.614 167.596 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.7 m -132.7 126.62 54.8 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.173 0 C-N-CA 126.431 1.892 . . . . 4.36 106.874 -155.723 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.1 mp -141.13 123.56 15.84 Favored 'General case' 0 N--CA 1.443 -0.79 0 CA-C-N 112.122 -2.308 . . . . 5.24 105.11 -178.27 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 9.4 m-30 -90.49 140.31 29.86 Favored 'General case' 0 C--N 1.371 1.515 0 C-N-CA 126.982 2.113 . . . . 1.53 110.283 -177.953 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.8 m -112.13 -168.26 1.29 Allowed 'General case' 0 C--N 1.364 1.196 0 C-N-CA 127.159 2.184 . . . . 1.31 107.29 173.828 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.12 11.92 8.82 Favored 'General case' 0 C--N 1.368 1.405 0 C-N-CA 126.645 1.978 . . . . 3.73 115.027 -173.457 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.22 -40.76 16.29 Favored 'General case' 0 C--N 1.362 1.113 0 C-N-CA 126.495 1.918 . . . . 1.13 112.577 160.904 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 42.5 mm-40 -77.57 -54.16 6.73 Favored 'General case' 0 C--N 1.369 1.427 0 C-N-CA 129.046 2.938 . . . . 0.86 111.675 -167.852 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 74.1 p -64.96 -40.51 95.12 Favored 'General case' 0 C--N 1.37 1.466 0 C-N-CA 128.539 2.736 . . . . 1.12 111.821 178.941 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 43.7 t80 -54.96 -56.46 19.38 Favored 'General case' 0 C--N 1.367 1.34 0 C-N-CA 128.587 2.755 . . . . 1.22 113.785 175.167 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -65.39 -40.14 93.11 Favored 'General case' 0 C--N 1.368 1.404 0 C-N-CA 126.592 1.957 . . . . 1.06 115.495 -176.475 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 97.5 mt -66.06 -38.94 89.59 Favored 'General case' 0 C--N 1.365 1.252 0 N-CA-C 115.717 1.747 . . . . 1.05 115.717 178.913 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -76.55 -28.05 56.13 Favored 'General case' 0 C--N 1.36 1.044 0 C-N-CA 127.431 2.293 . . . . 1.66 114.825 176.426 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . 0.264 12.7 mtm180 -67.78 -52.52 36.27 Favored 'General case' 0 C--N 1.376 1.741 0 C-N-CA 124.033 0.933 . . . . 2.54 112.31 176.723 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.554 HH22 HD23 ' A' ' 42' ' ' LEU 0.584 0.2 OUTLIER -85.52 -5.67 59.26 Favored 'General case' 0 C--N 1.38 1.927 0 N-CA-C 113.458 0.911 . . . . 1.89 113.458 -173.484 . . . . . . . . 4 4 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -74.09 -30.99 62.62 Favored 'General case' 0 C--N 1.376 1.725 0 C-N-CA 127.109 2.164 . . . . 0.83 113.725 161.972 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.4 mmt-85 -74.44 -30.52 61.93 Favored 'General case' 0 C--N 1.369 1.448 0 C-N-CA 125.939 1.696 . . . . 4.57 114.361 169.139 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 66.6 tp60 -93.7 -24.47 17.84 Favored 'General case' 0 C--N 1.364 1.23 0 C-N-CA 127.1 2.16 . . . . 2.53 112.903 -175.276 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 41.8 mm-40 -138.77 171.11 14.82 Favored 'General case' 0 C--N 1.366 1.311 0 N-CA-C 107.22 -1.4 . . . . 2.04 107.22 -174.221 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 79.0 mtt-85 -107.18 -41.67 5.07 Favored 'General case' 0 C--N 1.36 1.044 0 C-N-CA 125.929 1.692 . . . . 4.25 110.547 162.197 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 49.9 p90 -136.03 150.69 49.29 Favored 'General case' 0 C--N 1.359 1.015 0 C-N-CA 127.478 2.311 . . . . 5.9 106.531 -163.37 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -157.58 121.19 4.1 Favored 'General case' 0 C--N 1.356 0.85 0 N-CA-C 106.135 -1.802 . . . . 1.23 106.135 -168.508 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.4 p -94.32 163.31 13.48 Favored 'General case' 0 C--N 1.367 1.361 0 C-N-CA 127.577 2.351 . . . . 2.04 110.2 -173.839 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -43.45 -38.41 3.72 Favored Pre-proline 0 C--N 1.367 1.34 0 N-CA-C 121.34 3.83 . . . . 1.23 121.34 -168.532 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -69.55 -34.36 15.46 Favored 'Trans proline' 0 C--N 1.36 1.158 0 CA-C-N 125.691 3.068 . . . . 1.03 114.92 -179.825 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -93.56 -33.56 13.69 Favored 'General case' 0 C--N 1.366 1.32 0 C-N-CA 125.921 1.689 . . . . 1.7 113.542 176.402 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 41.4 ttt180 -63.26 -43.32 98.29 Favored 'General case' 0 C--N 1.369 1.43 0 C-N-CA 128.814 2.846 . . . . 3.04 114.93 -179.835 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 -84.6 -19.66 32.67 Favored 'General case' 0 C--N 1.359 1.003 0 C-N-CA 128.136 2.574 . . . . 1.74 112.165 -177.945 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 56.7 t-80 -77.83 -24.95 48.51 Favored 'General case' 0 C--N 1.367 1.361 0 C-N-CA 128.364 2.665 . . . . 2.01 112.411 174.39 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.554 HD23 HH22 ' A' ' 27' ' ' ARG . 0.6 OUTLIER -68.36 -55.79 10.78 Favored 'General case' 0 C--N 1.369 1.421 0 C-N-CA 129.672 3.189 . . . . 1.19 110.891 172.441 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.53 -28.59 70.05 Favored 'General case' 0 C--N 1.356 0.852 0 C-N-CA 129.565 3.146 . . . . 1.07 116.323 178.183 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 66.1 m -85.18 -38.03 19.47 Favored 'General case' 0 C--N 1.362 1.123 0 C-N-CA 125.511 1.524 . . . . 1.03 114.024 177.769 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 83.9 mt -84.8 -21.85 29.77 Favored 'General case' 0 C--N 1.361 1.091 0 C-N-CA 125.241 1.417 . . . . 2.35 113.737 179.284 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -97.93 -20.23 5.68 Favored 'Isoleucine or valine' 0 C--N 1.367 1.339 0 C-N-CA 124.672 1.189 . . . . 1.07 110.623 176.689 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.483 HH11 HH11 ' A' ' 12' ' ' ARG . 0.3 OUTLIER 82.27 61.66 0.02 OUTLIER 'General case' 0 C--N 1.371 1.543 0 C-N-CA 129.275 3.03 . . . . 3.61 112.689 165.909 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 93.2 mt -135.93 -170.45 2.64 Favored 'General case' 0 C--N 1.359 0.979 0 C-N-CA 124.895 1.278 . . . . 1.12 108.56 176.926 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 63.3 p -96.42 148.54 34.63 Favored Pre-proline 0 C--N 1.37 1.491 0 C-N-CA 127.039 2.136 . . . . 1.36 109.556 -178.095 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_exo -61.89 -21.96 73.34 Favored 'Trans proline' 0 C--N 1.367 1.511 1 C-N-CA 126.13 4.553 . . . . 1.0 116.09 171.983 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.3 t -86.37 -29.1 23.2 Favored 'General case' 0 C--N 1.365 1.282 0 C-N-CA 126.247 1.819 . . . . 1.13 111.176 -177.19 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -81.95 -31.35 31.29 Favored 'General case' 0 C--N 1.373 1.591 0 CA-C-N 119.393 0.997 . . . . 1.04 112.818 177.622 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 9.0 p -68.5 -43.04 84.05 Favored 'Isoleucine or valine' 0 C--N 1.376 1.747 0 C-N-CA 125.037 1.335 . . . . 1.07 112.968 172.26 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.42 -37.07 82.48 Favored 'General case' 0 C--N 1.378 1.825 0 C-N-CA 125.046 1.338 . . . . 1.54 114.046 177.52 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.301 6.9 mt -88.21 -5.96 10.59 Favored 'Isoleucine or valine' 0 C--N 1.372 1.581 0 N-CA-C 114.822 1.415 . . . . 1.32 114.822 176.588 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 49.7 t90 -75.37 -41.47 56.37 Favored 'General case' 0 C--N 1.379 1.877 0 C-N-CA 125.469 1.507 . . . . 0.28 110.781 166.065 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -78.0 -17.5 57.05 Favored 'General case' 0 C--N 1.368 1.401 0 C-N-CA 125.053 1.341 . . . . 0.46 113.751 177.686 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 20.7 tt0 -76.76 -38.45 54.09 Favored 'General case' 0 C--N 1.363 1.158 0 C-N-CA 127.428 2.291 . . . . 1.34 112.398 172.986 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 62.3 m-20 -91.98 -30.3 16.15 Favored 'General case' 0 C--N 1.365 1.261 0 C-N-CA 125.77 1.628 . . . . 0.56 113.856 -173.226 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -90.27 32.78 0.91 Allowed 'General case' 0 C--N 1.364 1.205 0 C-N-CA 125.288 1.435 . . . . 2.39 114.338 -172.606 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . 2.391 0.1 OUTLIER -33.2 -38.84 0.04 OUTLIER 'General case' 0 C--N 1.379 1.886 1 C-N-CA 132.167 4.187 . . . . 3.79 118.447 177.426 . . . . . . . . 4 3 . 1 . 022 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . 2.343 33.8 m-85 92.36 -42.97 0.01 OUTLIER 'General case' 0 C--N 1.372 1.582 0 N-CA-C 115.458 1.651 . . . . 6.38 115.458 148.817 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . 0.362 0.1 OUTLIER 42.97 33.14 0.48 Allowed 'General case' 0 N--CA 1.496 1.844 0 C-N-CA 129.487 3.115 . . . . 5.9 116.899 -163.323 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . 2.137 0.5 OUTLIER -91.36 -40.3 11.54 Favored 'General case' 0 C--N 1.363 1.175 0 C-N-CA 129.184 2.994 . . . . 3.68 111.562 -160.749 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -90.03 25.68 2.07 Favored 'General case' 0 C--N 1.369 1.414 0 C-N-CA 127.271 2.229 . . . . 8.17 112.719 -174.119 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.8 ppt_? -140.71 128.13 21.26 Favored 'General case' 0 C--N 1.358 0.952 0 N-CA-C 102.811 -3.033 . . . . 11.25 102.811 166.028 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -100.49 95.72 6.91 Favored 'General case' 0 C--N 1.361 1.1 0 C-N-CA 126.621 1.968 . . . . 9.1 110.233 -164.753 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.95 17.87 22.97 Favored 'General case' 0 C--N 1.357 0.928 0 C-N-CA 127.647 2.379 . . . . 9.58 115.731 -170.271 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . 2.277 0.1 OUTLIER -65.97 -42.1 90.32 Favored 'General case' 0 CA--C 1.482 -1.638 1 C-N-CA 133.819 4.848 . . . . 12.3 117.017 -175.748 . . . . . . . . 4 3 . 1 . 022 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . 1.667 10.1 pt-20 -44.52 -71.21 0.08 Allowed 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 120.029 3.344 . . . . 12.57 120.029 -94.165 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.9 114.28 20.79 Favored 'General case' 0 N--CA 1.442 -0.873 0 C-N-CA 124.982 1.313 . . . . 16.33 111.039 170.206 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 72.72 74.68 0.76 Allowed Glycine 0 C--N 1.357 1.74 0 C-N-CA 129.351 3.358 . . . . 15.41 114.635 169.341 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . 0.278 3.9 p90 -71.37 -64.52 0.9 Allowed 'General case' 0 C--N 1.357 0.921 0 C-N-CA 127.778 2.431 . . . . 13.81 114.504 -177.94 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . 2.492 22.8 pt-20 167.45 -91.3 0.0 OUTLIER 'General case' 0 N--CA 1.433 -1.276 0 C-N-CA 130.122 3.369 . . . . 14.6 102.657 161.55 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 102.83 -71.75 0.3 Allowed Glycine 0 C--N 1.359 1.825 0 C-N-CA 126.573 2.035 . . . . 15.93 109.279 -178.077 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 43.0 p-80 -109.03 162.88 18.43 Favored Pre-proline 0 C--N 1.361 1.081 0 C-N-CA 127.521 2.329 . . . . 18.34 107.58 176.79 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_exo . . . . . 0 C--O 1.262 1.676 0 C-N-CA 123.632 2.888 . . . . 17.68 111.192 173.622 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.273 0 CA-C-O 120.703 0.287 . . . . 17.23 110.229 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.3 p -151.27 26.01 0.7 Allowed 'General case' 0 C--N 1.358 0.943 0 N-CA-C 106.912 -1.514 . . . . 16.87 106.912 -178.833 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -119.36 100.42 7.29 Favored 'General case' 0 C--N 1.372 1.565 0 C-N-CA 124.507 1.123 . . . . 17.01 108.282 -172.062 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 119.16 -107.23 1.35 Allowed Glycine 0 C--N 1.363 2.078 0 N-CA-C 108.265 -1.934 . . . . 15.79 108.265 174.427 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -145.98 66.45 11.61 Favored Pre-proline 0 C--N 1.358 0.961 0 C-N-CA 124.576 1.15 . . . . 16.2 108.675 173.738 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -88.97 154.08 5.85 Favored 'Trans proline' 0 C--N 1.365 1.404 0 C-N-CA 123.289 2.659 . . . . 14.32 110.31 -176.24 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 6.8 p-10 -95.81 3.52 53.66 Favored 'General case' 0 C--N 1.365 1.26 0 C-N-CA 125.944 1.698 . . . . 15.54 112.596 -179.869 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.1 pttm -104.83 120.93 42.59 Favored 'General case' 0 C--N 1.365 1.272 0 C-N-CA 127.761 2.424 . . . . 17.23 106.833 176.58 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . 0.258 51.5 mtmt 77.71 38.79 0.19 Allowed 'General case' 0 C--N 1.366 1.306 0 C-N-CA 128.901 2.88 . . . . 14.38 111.465 -171.488 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -144.51 67.56 1.26 Allowed 'General case' 0 C--N 1.357 0.913 0 N-CA-C 104.205 -2.517 . . . . 13.85 104.205 -178.873 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.446 ' H ' ' H ' ' A' ' 12' ' ' ARG . 53.3 mtpt -148.59 -26.47 0.32 Allowed 'General case' 0 C--N 1.355 0.842 0 N-CA-C 105.768 -1.938 . . . . 13.21 105.768 175.957 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.446 ' H ' ' H ' ' A' ' 11' ' ' LYS 2.226 1.0 OUTLIER -32.28 -68.1 0.1 Allowed 'General case' 0 C--N 1.374 1.633 1 C-N-CA 132.582 4.353 . . . . 10.61 119.738 -177.901 . . . . . . . . 5 4 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -77.13 156.54 31.57 Favored 'General case' 0 C--N 1.369 1.423 0 C-N-CA 127.88 2.472 . . . . 8.2 113.681 -171.609 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.0 m -107.68 136.53 42.68 Favored 'Isoleucine or valine' 0 C--N 1.358 0.978 0 C-N-CA 125.532 1.533 . . . . 4.36 109.936 -158.36 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.2 mp -150.78 117.36 5.76 Favored 'General case' 0 N--CA 1.442 -0.839 0 N-CA-C 103.706 -2.701 . . . . 5.24 103.706 174.806 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -106.05 90.4 3.36 Favored 'General case' 0 C--N 1.365 1.266 0 C-N-CA 127.314 2.246 . . . . 1.53 107.107 170.968 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 24.3 m -114.34 -167.63 1.25 Allowed 'General case' 0 C--N 1.348 0.513 0 C-N-CA 128.932 2.893 . . . . 1.31 107.998 -179.306 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.76 -4.25 48.4 Favored 'General case' 0 C--N 1.369 1.414 0 C-N-CA 127.245 2.218 . . . . 3.73 115.705 -172.591 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -79.31 -40.71 29.73 Favored 'General case' 0 C--N 1.366 1.283 0 C-N-CA 126.929 2.092 . . . . 1.13 112.14 168.769 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 -73.99 -49.13 25.82 Favored 'General case' 0 C--N 1.365 1.258 0 C-N-CA 129.388 3.075 . . . . 0.86 113.075 -172.472 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 66.9 p -73.28 -29.13 62.52 Favored 'General case' 0 C--N 1.364 1.221 0 C-N-CA 126.182 1.793 . . . . 1.12 112.52 -178.061 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -65.69 -53.05 46.34 Favored 'General case' 0 C--N 1.369 1.454 0 C-N-CA 128.47 2.708 . . . . 1.22 112.945 176.423 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -72.47 -36.18 68.4 Favored 'General case' 0 C--N 1.361 1.098 0 C-N-CA 125.973 1.709 . . . . 1.06 115.287 -176.632 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 90.3 mt -71.17 -41.3 70.55 Favored 'General case' 0 C--N 1.361 1.073 0 C-N-CA 126.873 2.069 . . . . 1.05 114.61 178.85 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -71.74 -31.35 66.59 Favored 'General case' 0 C--N 1.362 1.126 0 C-N-CA 125.893 1.677 . . . . 1.66 115.455 172.418 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.1 ptm180 -78.52 -29.38 46.5 Favored 'General case' 0 C--N 1.371 1.539 0 N-CA-C 115.267 1.58 . . . . 2.54 115.267 -176.938 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.258 36.1 mmm-85 -78.74 -26.28 44.62 Favored 'General case' 0 C--N 1.369 1.455 0 CA-C-O 118.384 -0.817 . . . . 1.89 112.724 164.057 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -71.23 -19.84 62.32 Favored 'General case' 0 C--N 1.376 1.747 0 CA-C-N 120.641 1.564 . . . . 0.83 114.164 178.365 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 19.8 mmm-85 -74.16 -44.61 52.9 Favored 'General case' 0 C--N 1.366 1.297 0 C-N-CA 126.685 1.994 . . . . 4.57 113.923 173.951 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 63.9 tp60 -93.25 -22.42 19.02 Favored 'General case' 0 N--CA 1.435 -1.188 0 C-N-CA 128.063 2.545 . . . . 2.53 112.748 -173.054 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -156.16 170.49 22.1 Favored 'General case' 0 C--N 1.365 1.276 0 O-C-N 121.174 -0.954 . . . . 2.04 109.573 178.516 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.546 ' HG3' HH11 ' A' ' 32' ' ' ARG . 8.2 mtm-85 -105.84 -34.27 7.71 Favored 'General case' 0 C--N 1.363 1.185 0 C-N-CA 127.287 2.235 . . . . 4.25 109.06 175.251 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -134.03 142.84 47.75 Favored 'General case' 0 C--N 1.357 0.893 0 C-N-CA 127.099 2.16 . . . . 5.9 105.808 -173.862 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.584 HD22 ' HB2' ' A' ' 39' ' ' ARG 0.295 0.0 OUTLIER -106.28 -106.1 0.32 Allowed 'General case' 0 CA--C 1.555 1.151 0 N-CA-C 102.925 -2.991 . . . . 1.23 102.925 -163.234 . . . . . . . . 4 4 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . 2.407 13.1 m -156.09 -159.55 0.91 Allowed 'General case' 0 C--N 1.376 1.718 0 N-CA-C 101.677 -3.453 . . . . 2.04 101.677 140.895 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . 0.27 . . -76.18 -53.85 2.12 Favored Pre-proline 0 C--N 1.365 1.265 0 CA-C-O 116.276 -1.821 . . . . 1.23 115.631 -177.667 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -72.76 -10.26 24.77 Favored 'Trans proline' 0 C--N 1.364 1.393 0 C-N-CA 123.83 3.02 . . . . 1.03 115.312 -178.943 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -99.29 -22.47 15.58 Favored 'General case' 0 C--N 1.361 1.065 0 C-N-CA 127.259 2.224 . . . . 1.7 113.539 179.5 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.584 ' HB2' HD22 ' A' ' 34' ' ' LEU . 3.2 tmm_? -83.75 -30.12 26.92 Favored 'General case' 0 C--N 1.378 1.822 0 CA-C-N 120.827 1.649 . . . . 3.04 111.157 171.5 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -81.88 -23.02 36.56 Favored 'General case' 0 C--N 1.375 1.696 0 C-N-CA 124.397 1.079 . . . . 1.74 112.447 178.281 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 46.0 t-80 -85.06 -26.54 26.92 Favored 'General case' 0 C--N 1.364 1.214 0 C-N-CA 127.7 2.4 . . . . 2.01 111.818 178.017 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -75.59 -26.76 58.15 Favored 'General case' 0 C--N 1.366 1.318 0 C-N-CA 128.568 2.747 . . . . 1.19 111.712 170.894 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -80.75 -31.27 35.97 Favored 'General case' 0 C--N 1.366 1.291 0 C-N-CA 126.995 2.118 . . . . 1.07 112.822 175.758 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 55.5 m -80.69 -25.65 38.05 Favored 'General case' 0 C--N 1.361 1.105 0 C-N-CA 125.733 1.613 . . . . 1.03 113.6 173.836 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 5.9 tt -75.06 -39.33 60.95 Favored 'General case' 0 C--N 1.362 1.142 0 C-N-CA 128.008 2.523 . . . . 2.35 112.434 175.357 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.8 pt -101.71 -14.76 7.97 Favored 'Isoleucine or valine' 0 C--N 1.367 1.369 0 C-N-CA 124.244 1.018 . . . . 1.07 112.83 -172.809 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 9.3 tpt180 89.5 33.96 0.02 OUTLIER 'General case' 0 C--N 1.37 1.482 0 C-N-CA 129.463 3.105 . . . . 3.61 112.318 165.408 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -118.28 178.36 4.47 Favored 'General case' 0 C--N 1.357 0.906 0 C-N-CA 127.492 2.317 . . . . 1.12 107.678 -174.162 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.413 HG22 ' H ' ' A' ' 51' ' ' THR . 81.1 p -93.11 143.15 26.31 Favored Pre-proline 0 C--N 1.364 1.212 0 C-N-CA 126.35 1.86 . . . . 1.36 109.526 179.886 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_exo -60.98 -18.02 55.08 Favored 'Trans proline' 0 C--N 1.368 1.595 1 C-N-CA 126.26 4.64 . . . . 1.0 116.57 172.457 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.413 ' H ' HG22 ' A' ' 49' ' ' THR . 14.0 t -86.05 -31.48 21.94 Favored 'General case' 0 C--N 1.366 1.288 0 C-N-CA 127.234 2.214 . . . . 1.13 111.11 -178.758 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -80.8 -34.76 33.82 Favored 'General case' 0 C--N 1.371 1.535 0 O-C-N 121.014 -1.054 . . . . 1.04 112.163 178.646 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 6.4 p -70.71 -36.32 64.53 Favored 'Isoleucine or valine' 0 C--N 1.378 1.82 0 C-N-CA 125.497 1.519 . . . . 1.07 112.707 173.766 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.04 -49.31 76.2 Favored 'General case' 0 C--N 1.369 1.451 0 C-N-CA 128.274 2.63 . . . . 1.54 113.675 170.316 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.286 5.2 mt -83.4 -7.61 10.92 Favored 'Isoleucine or valine' 0 C--N 1.368 1.403 0 N-CA-C 115.407 1.632 . . . . 1.32 115.407 178.847 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 23.1 t90 -75.11 -42.11 57.19 Favored 'General case' 0 C--N 1.377 1.779 0 C-N-CA 125.802 1.641 . . . . 0.28 110.976 168.728 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -85.0 -12.49 53.11 Favored 'General case' 0 C--N 1.368 1.373 0 C-N-CA 126.699 2.0 . . . . 0.46 113.261 179.704 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 20.7 tt0 -78.16 -40.23 38.55 Favored 'General case' 0 C--N 1.36 1.045 0 C-N-CA 127.311 2.244 . . . . 1.34 112.219 173.406 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 70.8 m-20 -87.65 -25.21 23.64 Favored 'General case' 0 C--N 1.368 1.382 0 C-N-CA 125.78 1.632 . . . . 0.56 113.675 -175.263 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 6.4 m80 -75.83 -34.72 60.12 Favored 'General case' 0 C--N 1.363 1.191 0 N-CA-C 115.909 1.818 . . . . 2.39 115.909 -178.419 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 17.3 ptm180 -85.95 45.49 1.22 Allowed 'General case' 0 C--N 1.363 1.166 0 C-N-CA 126.109 1.764 . . . . 3.79 115.525 -176.581 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.421 ' HB2' ' H ' ' A' ' 63' ' ' LYS 2.449 0.1 OUTLIER 164.7 109.95 0.0 OUTLIER 'General case' 0 C--N 1.364 1.218 0 N-CA-C 105.457 -2.053 . . . . 6.38 105.457 146.939 . . . . . . . . 4 4 . 1 . 023 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.421 ' H ' ' HB2' ' A' ' 62' ' ' TYR . 0.8 OUTLIER 101.42 70.05 0.0 OUTLIER 'General case' 0 C--N 1.357 0.9 1 C-N-CA 132.391 4.277 . . . . 5.9 103.622 -177.323 . . . . . . . . 4 4 . 1 . 023 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . 0.257 3.1 m -93.38 -32.87 14.09 Favored 'General case' 0 C--N 1.368 1.375 0 C-N-CA 125.419 1.488 . . . . 3.68 112.583 -160.2 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.56 62.66 4.58 Favored 'General case' 0 C--N 1.372 1.561 0 C-N-CA 128.344 2.658 . . . . 8.17 110.145 167.39 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.5 tpp85 -137.1 48.94 2.05 Favored 'General case' 0 C--N 1.36 1.051 0 N-CA-C 107.535 -1.283 . . . . 11.25 107.535 -174.647 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -100.6 -23.26 14.71 Favored 'General case' 0 C--N 1.361 1.086 0 C-N-CA 127.209 2.204 . . . . 9.1 110.012 173.457 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . 2.298 5.8 pt20 -63.37 -31.09 72.15 Favored 'General case' 0 C--N 1.374 1.637 0 C-N-CA 130.728 3.611 . . . . 9.58 115.097 172.747 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.459 HD21 ' HD2' ' A' ' 73' ' ' TYR . 0.8 OUTLIER -135.07 74.54 1.52 Allowed 'General case' 0 N--CA 1.432 -1.332 0 C-N-CA 128.716 2.806 . . . . 12.3 104.904 179.653 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -95.92 133.4 40.15 Favored 'General case' 0 N--CA 1.436 -1.144 0 CA-C-N 110.82 -2.9 . . . . 12.57 105.068 149.941 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.45 120.43 4.12 Favored 'General case' 0 C--N 1.358 0.977 0 C-N-CA 130.437 3.495 . . . . 16.33 115.671 -162.735 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 164.57 -94.2 0.11 Allowed Glycine 0 N--CA 1.426 -1.98 0 N-CA-C 104.814 -3.315 . . . . 15.41 104.814 -148.213 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.459 ' HD2' HD21 ' A' ' 69' ' ' ASN 2.621 0.0 OUTLIER 169.37 -3.67 0.0 OUTLIER 'General case' 0 C--N 1.365 1.246 0 N-CA-C 121.429 3.862 . . . . 13.81 121.429 158.6 . . . . . . . . 4 4 . 1 . 023 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 58.1 mm-40 -110.71 70.46 0.72 Allowed 'General case' 0 C--N 1.352 0.687 0 CA-C-N 122.709 2.504 . . . . 14.6 110.43 -156.912 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -167.94 96.21 0.12 Allowed Glycine 0 C--N 1.352 1.423 0 N-CA-C 107.731 -2.148 . . . . 15.93 107.731 176.334 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 59.6 t-80 -115.91 137.79 23.57 Favored Pre-proline 0 C--N 1.361 1.077 0 N-CA-C 106.657 -1.609 . . . . 18.34 106.657 179.329 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo . . . . . 0 C--O 1.261 1.669 0 C-N-CA 123.844 3.03 . . . . 17.68 109.347 176.535 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 112.288 0.477 . . . . 17.23 112.288 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.4 p -158.5 19.95 0.22 Allowed 'General case' 0 C--N 1.363 1.164 0 C-N-CA 123.837 0.855 . . . . 16.87 109.379 -175.202 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -127.32 67.9 1.29 Allowed 'General case' 0 C--N 1.367 1.36 0 N-CA-C 106.38 -1.711 . . . . 17.01 106.38 177.022 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.68 126.4 2.67 Favored Glycine 0 C--N 1.362 2.02 0 C-N-CA 126.81 2.148 . . . . 15.79 112.6 -178.766 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -164.6 86.88 1.1 Allowed Pre-proline 0 C--N 1.363 1.152 0 N-CA-C 105.877 -1.897 . . . . 16.2 105.877 179.585 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -79.44 149.39 82.58 Favored 'Cis proline' 0 C--N 1.361 1.199 0 CA-C-N 122.071 1.775 . . . . 14.32 111.561 7.232 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 43.1 t30 -101.08 40.18 1.31 Allowed 'General case' 0 C--N 1.366 1.309 0 C-N-CA 126.443 1.897 . . . . 15.54 109.715 -175.371 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 65.0 mttp -139.97 -123.91 0.11 Allowed 'General case' 0 C--N 1.361 1.099 0 N-CA-C 103.486 -2.783 . . . . 17.23 103.486 173.701 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.17 157.09 35.33 Favored 'General case' 0 C--N 1.359 0.997 0 N-CA-C 106.54 -1.652 . . . . 14.38 106.54 176.134 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.9 mmp_? -116.12 138.5 51.19 Favored 'General case' 0 C--N 1.36 1.034 0 C-N-CA 126.121 1.768 . . . . 13.85 106.371 174.026 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.453 ' HD2' ' H ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -103.92 -40.41 6.23 Favored 'General case' 0 C--N 1.361 1.095 0 C-N-CA 127.133 2.173 . . . . 13.21 108.715 -179.533 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 17.3 ttt85 58.64 -80.23 0.02 OUTLIER 'General case' 0 C--N 1.364 1.222 0 N-CA-C 121.555 3.909 . . . . 10.61 121.555 153.707 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 46.1 mmm-85 -87.49 171.86 10.21 Favored 'General case' 0 C--N 1.366 1.318 0 C-N-CA 127.409 2.284 . . . . 8.2 112.071 -162.542 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.8 m -100.27 139.33 22.0 Favored 'Isoleucine or valine' 0 C--N 1.359 1.004 0 C-N-CA 127.479 2.312 . . . . 4.36 110.53 -162.541 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.3 mp -143.83 139.15 29.15 Favored 'General case' 0 C--N 1.357 0.924 0 N-CA-C 104.419 -2.438 . . . . 5.24 104.419 173.215 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -106.19 97.68 7.45 Favored 'General case' 0 C--N 1.364 1.196 0 C-N-CA 127.585 2.354 . . . . 1.53 107.201 168.802 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 30.1 m -123.07 -166.63 1.48 Allowed 'General case' 0 C--N 1.348 0.538 0 C-N-CA 127.899 2.48 . . . . 1.31 107.098 176.685 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.7 pptp? -73.69 -13.41 60.98 Favored 'General case' 0 C--N 1.368 1.395 0 C-N-CA 127.367 2.267 . . . . 3.73 116.669 -169.157 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -78.88 -34.63 44.69 Favored 'General case' 0 C--N 1.366 1.326 0 C-N-CA 126.726 2.01 . . . . 1.13 112.688 173.609 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 42.4 mm-40 -78.16 -41.83 33.55 Favored 'General case' 0 C--N 1.367 1.345 0 C-N-CA 128.136 2.574 . . . . 0.86 111.038 -173.502 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 71.8 p -74.52 -30.79 61.91 Favored 'General case' 0 C--N 1.365 1.281 0 C-N-CA 126.777 2.031 . . . . 1.12 112.147 178.812 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 49.9 t80 -64.28 -50.75 66.67 Favored 'General case' 0 C--N 1.368 1.411 0 C-N-CA 127.643 2.377 . . . . 1.22 112.855 176.252 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -75.14 -35.65 61.64 Favored 'General case' 0 C--N 1.359 1.01 0 N-CA-C 115.502 1.668 . . . . 1.06 115.502 -176.559 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 89.3 mt -69.83 -43.48 71.92 Favored 'General case' 0 C--N 1.364 1.233 0 C-N-CA 126.329 1.852 . . . . 1.05 114.422 177.906 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 77.0 mt-10 -70.09 -31.8 69.56 Favored 'General case' 0 C--N 1.362 1.145 0 C-N-CA 126.711 2.004 . . . . 1.66 115.279 173.802 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.6 ptm180 -77.53 -29.32 52.3 Favored 'General case' 0 C--N 1.369 1.441 0 N-CA-C 115.773 1.768 . . . . 2.54 115.773 -179.713 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.258 27.6 mmm-85 -77.56 -25.61 50.23 Favored 'General case' 0 C--N 1.369 1.445 0 C-N-CA 123.803 0.841 . . . . 1.89 112.323 165.523 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.402 ' O ' ' HG2' ' A' ' 29' ' ' ARG . 46.6 t80 -68.8 -46.37 68.86 Favored 'General case' 0 C--N 1.375 1.706 0 C-N-CA 126.757 2.023 . . . . 0.83 113.737 -177.52 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.402 ' HG2' ' O ' ' A' ' 28' ' ' PHE 2.348 11.3 mmm-85 -58.71 -25.71 63.16 Favored 'General case' 0 N--CA 1.496 1.866 0 C-N-CA 128.491 2.717 . . . . 4.57 114.3 176.184 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 65.7 tp60 -97.95 -30.41 12.74 Favored 'General case' 0 C--N 1.37 1.472 0 C-N-CA 127.667 2.387 . . . . 2.53 112.748 -177.217 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -170.96 150.52 3.13 Favored 'General case' 0 C--N 1.37 1.473 0 N-CA-C 107.086 -1.45 . . . . 2.04 107.086 -167.534 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.9 mtm105 -100.89 -34.14 9.92 Favored 'General case' 0 C--N 1.362 1.133 0 C-N-CA 125.173 1.389 . . . . 4.25 110.438 -177.937 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 58.4 m-85 -117.28 137.01 52.69 Favored 'General case' 0 C--N 1.357 0.919 0 C-N-CA 125.878 1.671 . . . . 5.9 108.678 -179.826 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -144.26 121.72 11.7 Favored 'General case' 0 CA--C 1.495 -1.138 0 N-CA-C 101.027 -3.694 . . . . 1.23 101.027 -173.023 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.6 p -83.9 164.91 19.14 Favored 'General case' 0 C--N 1.364 1.221 0 C-N-CA 126.94 2.096 . . . . 2.04 111.081 -168.185 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -41.3 -45.23 6.9 Favored Pre-proline 0 C--N 1.366 1.307 0 N-CA-C 120.733 3.605 . . . . 1.23 120.733 -174.048 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -71.78 -29.88 15.03 Favored 'Trans proline' 0 C--N 1.36 1.149 0 C-N-CA 124.292 3.328 . . . . 1.03 114.229 177.723 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -94.51 -18.63 21.27 Favored 'General case' 0 C--N 1.364 1.211 0 C-N-CA 126.009 1.724 . . . . 1.7 113.963 176.596 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 -81.44 -40.37 23.45 Favored 'General case' 0 C--N 1.373 1.611 0 C-N-CA 127.106 2.163 . . . . 3.04 111.241 -178.107 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -84.71 -17.69 37.59 Favored 'General case' 0 C--N 1.368 1.399 0 C-N-CA 125.627 1.571 . . . . 1.74 112.135 -179.584 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 46.6 t-80 -82.0 -24.25 35.53 Favored 'General case' 0 C--N 1.366 1.293 0 C-N-CA 128.066 2.546 . . . . 2.01 111.914 174.824 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -64.45 -50.38 67.74 Favored 'General case' 0 C--N 1.37 1.46 0 C-N-CA 129.097 2.959 . . . . 1.19 111.892 168.763 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.91 -31.92 73.38 Favored 'General case' 0 C--N 1.357 0.935 0 C-N-CA 129.223 3.009 . . . . 1.07 116.362 175.687 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 67.0 m -85.05 -27.11 26.58 Favored 'General case' 0 C--N 1.362 1.116 0 C-N-CA 125.762 1.625 . . . . 1.03 113.372 177.845 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 40.1 tp -77.12 -33.97 56.72 Favored 'General case' 0 C--N 1.361 1.079 0 C-N-CA 127.075 2.15 . . . . 2.35 112.546 177.189 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.6 pt -104.76 -21.8 5.16 Favored 'Isoleucine or valine' 0 C--N 1.366 1.285 0 C-N-CA 124.348 1.059 . . . . 1.07 112.185 -174.023 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.8 tpp180 84.99 70.06 0.01 OUTLIER 'General case' 0 C--N 1.372 1.562 0 C-N-CA 129.227 3.011 . . . . 3.61 114.051 175.818 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 93.4 mt -139.87 -166.57 2.11 Favored 'General case' 0 C--N 1.359 0.997 0 N-CA-C 106.981 -1.488 . . . . 1.12 106.981 169.972 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.418 HG22 ' H ' ' A' ' 51' ' ' THR . 71.3 p -98.8 144.53 28.33 Favored Pre-proline 0 C--N 1.368 1.412 0 C-N-CA 126.625 1.97 . . . . 1.36 108.703 175.643 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_exo -61.2 -18.92 61.3 Favored 'Trans proline' 0 C--N 1.367 1.548 1 C-N-CA 126.128 4.552 . . . . 1.0 116.572 172.26 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.418 ' H ' HG22 ' A' ' 49' ' ' THR . 13.8 t -85.54 -31.0 22.94 Favored 'General case' 0 C--N 1.366 1.294 0 C-N-CA 126.997 2.119 . . . . 1.13 111.144 -178.579 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -82.16 -32.41 30.0 Favored 'General case' 0 C--N 1.373 1.595 0 CA-C-N 119.362 0.983 . . . . 1.04 112.765 178.586 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.5 p -70.73 -36.71 66.08 Favored 'Isoleucine or valine' 0 C--N 1.376 1.743 0 C-N-CA 124.972 1.309 . . . . 1.07 112.74 172.2 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.98 -47.62 82.44 Favored 'General case' 0 C--N 1.369 1.439 0 C-N-CA 128.04 2.536 . . . . 1.54 113.543 170.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.293 4.9 mt -84.45 -5.83 9.82 Favored 'Isoleucine or valine' 0 C--N 1.369 1.42 0 N-CA-C 115.219 1.562 . . . . 1.32 115.219 177.519 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 31.0 t90 -74.53 -42.46 58.82 Favored 'General case' 0 C--N 1.376 1.743 0 C-N-CA 125.759 1.624 . . . . 0.28 110.87 166.945 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -84.51 -12.02 55.02 Favored 'General case' 0 C--N 1.365 1.276 0 C-N-CA 126.54 1.936 . . . . 0.46 113.588 -179.532 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -79.34 -34.71 41.93 Favored 'General case' 0 C--N 1.359 0.994 0 C-N-CA 127.377 2.271 . . . . 1.34 111.716 170.293 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 70.4 m-20 -90.39 -40.39 12.09 Favored 'General case' 0 C--N 1.367 1.338 0 C-N-CA 126.192 1.797 . . . . 0.56 114.051 -176.058 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -80.56 -13.01 59.43 Favored 'General case' 0 C--N 1.363 1.191 0 N-CA-C 116.369 1.989 . . . . 2.39 116.369 -166.849 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.7 ptm180 -89.24 81.13 6.75 Favored 'General case' 0 C--N 1.379 1.863 0 C-N-CA 129.488 3.115 . . . . 3.79 106.172 151.818 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -147.75 65.11 1.12 Allowed 'General case' 0 N--CA 1.439 -1.024 1 C-N-CA 132.676 4.39 . . . . 6.38 114.258 18.276 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -104.44 65.33 0.77 Allowed 'General case' 0 CA--C 1.509 -0.602 0 N-CA-C 103.462 -2.792 . . . . 5.9 103.462 159.197 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 80.4 m -75.15 30.42 0.1 Allowed 'General case' 0 C--N 1.37 1.494 1 C-N-CA 133.395 4.678 . . . . 3.68 115.169 -166.387 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . 2.368 0.0 OUTLIER -28.84 69.31 0.0 OUTLIER 'General case' 0 C--N 1.373 1.616 1 C-N-CA 134.198 4.999 . . . . 8.17 120.207 -150.839 . . . . . . . . 4 3 . 1 . 024 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . 2.273 45.7 ptt85 -97.69 66.35 1.93 Allowed 'General case' 0 C--N 1.358 0.945 1 C-N-CA 132.366 4.266 . . . . 11.25 108.198 167.46 . . . . . . . . 3 2 . 1 . 024 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -99.96 11.76 38.51 Favored 'General case' 0 C--N 1.363 1.181 0 C-N-CA 125.555 1.542 . . . . 9.1 112.044 -173.721 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -105.24 10.39 33.69 Favored 'General case' 0 C--N 1.365 1.254 0 C-N-CA 126.371 1.868 . . . . 9.58 114.512 -174.965 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . 2.535 3.1 t30 176.96 -34.0 0.01 OUTLIER 'General case' 0 N--CA 1.435 -1.222 0 CA-C-N 111.708 -2.496 . . . . 12.3 109.469 147.801 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -48.93 118.54 2.66 Favored 'General case' 0 C--N 1.371 1.527 0 C-N-CA 127.611 2.364 . . . . 12.57 115.867 -135.036 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -49.09 115.56 1.34 Allowed 'General case' 0 C--N 1.364 1.21 0 N-CA-C 119.675 3.213 . . . . 16.33 119.675 -118.892 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 84.71 50.73 4.09 Favored Glycine 0 C--N 1.363 2.074 0 C-N-CA 128.769 3.081 . . . . 15.41 113.175 178.395 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -76.98 -54.71 6.21 Favored 'General case' 0 C--N 1.366 1.311 0 C-N-CA 127.477 2.311 . . . . 13.81 114.665 -174.1 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -124.78 56.54 1.3 Allowed 'General case' 0 N--CA 1.44 -0.936 0 C-N-CA 128.653 2.781 . . . . 14.6 106.635 175.007 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 176.0 88.76 0.07 OUTLIER Glycine 0 C--N 1.356 1.639 0 N-CA-C 108.298 -1.921 . . . . 15.93 108.298 -179.862 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -145.14 -58.19 0.02 OUTLIER Pre-proline 0 C--N 1.358 0.936 0 CA-C-O 116.011 -1.947 . . . . 18.34 108.05 174.746 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo . . . . . 0 C--O 1.263 1.761 0 CA-C-N 125.48 2.993 . . . . 17.68 109.601 173.655 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.498 0.19 . . . . 17.23 110.704 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.1 t -153.2 -146.58 0.2 Allowed 'General case' 0 C--N 1.362 1.151 0 N-CA-C 104.375 -2.454 . . . . 16.87 104.375 -179.879 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -150.01 10.9 0.72 Allowed 'General case' 0 C--N 1.358 0.945 0 N-CA-C 106.41 -1.7 . . . . 17.01 106.41 177.319 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.45 -135.62 4.03 Favored Glycine 0 C--N 1.359 1.829 0 N-CA-C 105.829 -2.908 . . . . 15.79 105.829 -177.541 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.445 ' H ' ' CD ' ' A' ' 6' ' ' PRO 0.314 1.8 pt? -158.65 -43.65 0.0 OUTLIER Pre-proline 0 C--N 1.356 0.876 0 CA-C-O 114.364 -2.732 . . . . 16.2 112.474 177.524 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.445 ' CD ' ' H ' ' A' ' 5' ' ' LEU . 63.3 Cg_endo -94.61 60.95 0.27 Allowed 'Trans proline' 0 C--N 1.37 1.693 0 CA-C-N 127.796 3.82 . . . . 14.32 110.608 -163.772 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 44.0 t30 -159.89 -30.53 0.06 Allowed 'General case' 0 C--N 1.358 0.937 0 N-CA-C 105.303 -2.11 . . . . 15.54 105.303 -179.35 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.7 mptt -96.6 -34.53 11.39 Favored 'General case' 0 C--N 1.361 1.085 0 C-N-CA 128.561 2.744 . . . . 17.23 108.769 -177.563 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -151.15 99.17 2.64 Favored 'General case' 0 C--N 1.358 0.942 0 N-CA-C 105.368 -2.086 . . . . 14.38 105.368 179.968 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 27.1 ptt-85 -133.22 -12.56 2.79 Favored 'General case' 0 C--N 1.357 0.908 0 C-N-CA 125.143 1.377 . . . . 13.85 107.465 172.406 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -120.69 -66.6 1.04 Allowed 'General case' 0 C--N 1.367 1.33 0 N-CA-C 104.898 -2.26 . . . . 13.21 104.898 167.274 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.479 ' H ' ' HE ' ' A' ' 12' ' ' ARG 2.307 2.5 mtm180 66.63 -83.3 0.03 OUTLIER 'General case' 0 C--N 1.37 1.458 0 C-N-CA 129.472 3.109 . . . . 10.61 116.833 171.32 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 15.3 mmm180 -98.22 -169.29 1.78 Allowed 'General case' 0 C--N 1.362 1.149 0 C-N-CA 129.002 2.921 . . . . 8.2 107.461 179.265 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 2.025 7.7 m -66.28 -86.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.358 0.952 0 C-N-CA 129.193 2.997 . . . . 4.36 115.379 -154.964 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.57 140.34 51.16 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 130.058 3.343 . . . . 5.24 115.497 -175.556 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.439 ' HB3' ' HB2' ' A' ' 20' ' ' GLN . 18.3 m-30 -96.7 149.61 21.62 Favored 'General case' 0 C--N 1.358 0.972 0 C-N-CA 128.097 2.559 . . . . 1.53 112.552 -156.34 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . 0.259 10.8 m -103.13 -171.05 1.88 Allowed 'General case' 0 C--N 1.371 1.53 0 C-N-CA 126.85 2.06 . . . . 1.31 110.268 -175.229 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.7 pptp? -74.99 -9.92 58.99 Favored 'General case' 0 C--N 1.369 1.442 0 N-CA-C 117.473 2.397 . . . . 3.73 117.473 -162.233 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -83.59 -42.74 16.42 Favored 'General case' 0 C--N 1.363 1.157 0 C-N-CA 125.826 1.65 . . . . 1.13 111.736 168.671 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.439 ' HB2' ' HB3' ' A' ' 16' ' ' PHE . 50.2 mm-40 -73.52 -46.23 49.01 Favored 'General case' 0 C--N 1.368 1.41 0 C-N-CA 128.451 2.7 . . . . 0.86 112.104 -174.425 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 67.4 p -65.92 -40.48 91.48 Favored 'General case' 0 C--N 1.373 1.618 0 C-N-CA 127.896 2.478 . . . . 1.12 111.941 179.053 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -56.13 -56.58 19.21 Favored 'General case' 0 C--N 1.367 1.328 0 C-N-CA 128.332 2.653 . . . . 1.22 113.433 175.981 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.416 ' HA ' ' HG2' ' A' ' 26' ' ' ARG . 65.5 mm-40 -67.25 -35.84 80.37 Favored 'General case' 0 C--N 1.37 1.466 0 N-CA-C 115.397 1.629 . . . . 1.06 115.397 -176.407 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 96.3 mt -66.78 -38.02 85.72 Favored 'General case' 0 C--N 1.365 1.247 0 C-N-CA 126.606 1.962 . . . . 1.05 116.002 178.126 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -75.87 -28.67 58.25 Favored 'General case' 0 C--N 1.358 0.935 0 C-N-CA 128.091 2.556 . . . . 1.66 114.355 175.314 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.416 ' HG2' ' HA ' ' A' ' 23' ' ' GLU 0.254 0.5 OUTLIER -64.75 -50.15 67.97 Favored 'General case' 0 C--N 1.377 1.804 0 C-N-CA 125.263 1.425 . . . . 2.54 112.545 173.75 . . . . . . . . 4 4 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.14 -38.38 82.93 Favored 'General case' 0 C--N 1.384 2.108 0 N-CA-C 115.727 1.751 . . . . 1.89 115.727 170.823 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -68.28 -25.04 64.96 Favored 'General case' 0 C--N 1.377 1.774 0 C-N-CA 125.65 1.58 . . . . 0.83 114.32 -177.572 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 17.1 mmm-85 -72.21 -36.59 69.22 Favored 'General case' 0 C--N 1.366 1.286 0 C-N-CA 126.742 2.017 . . . . 4.57 114.495 173.441 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 65.7 tp60 -94.75 -27.6 15.72 Favored 'General case' 0 N--CA 1.433 -1.295 0 C-N-CA 128.162 2.585 . . . . 2.53 113.06 -172.579 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -167.52 158.79 11.67 Favored 'General case' 0 C--N 1.365 1.244 0 N-CA-C 107.516 -1.29 . . . . 2.04 107.516 -165.821 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 12.2 mtm105 -105.22 -37.48 6.87 Favored 'General case' 0 C--N 1.366 1.31 0 C-N-CA 124.878 1.271 . . . . 4.25 109.745 173.85 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 42.0 p90 -113.23 143.44 44.4 Favored 'General case' 0 C--N 1.36 1.058 0 C-N-CA 127.033 2.133 . . . . 5.9 109.315 -175.249 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -154.89 123.11 5.92 Favored 'General case' 0 N--CA 1.443 -0.796 0 N-CA-C 102.912 -2.995 . . . . 1.23 102.912 -170.938 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 8.2 m -81.98 163.03 22.43 Favored 'General case' 0 C--N 1.371 1.523 0 C-N-CA 126.805 2.042 . . . . 2.04 111.407 -170.43 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.65 -37.5 32.22 Favored Pre-proline 0 C--N 1.367 1.348 0 N-CA-C 120.21 3.411 . . . . 1.23 120.21 -172.908 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -67.23 -29.59 38.84 Favored 'Trans proline' 0 C--N 1.362 1.264 0 C-N-CA 124.406 3.404 . . . . 1.03 115.173 174.447 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -101.26 -20.35 15.29 Favored 'General case' 0 C--N 1.363 1.156 0 C-N-CA 125.941 1.697 . . . . 1.7 114.665 176.289 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 46.0 ttp85 -80.64 -42.9 21.35 Favored 'General case' 0 C--N 1.374 1.651 0 C-N-CA 125.97 1.708 . . . . 3.04 111.374 -176.961 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 77.4 mt-10 -84.07 -18.07 38.19 Favored 'General case' 0 C--N 1.367 1.346 0 C-N-CA 126.311 1.844 . . . . 1.74 111.738 -176.71 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 78.3 t60 -85.06 -23.44 28.57 Favored 'General case' 0 C--N 1.365 1.278 0 C-N-CA 127.991 2.517 . . . . 2.01 111.416 176.199 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -73.25 -34.31 65.77 Favored 'General case' 0 C--N 1.37 1.475 0 C-N-CA 128.03 2.532 . . . . 1.19 111.856 169.097 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -76.78 -28.92 55.85 Favored 'General case' 0 C--N 1.362 1.123 0 C-N-CA 127.2 2.2 . . . . 1.07 113.847 174.568 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 71.0 m -81.18 -33.14 33.24 Favored 'General case' 0 C--N 1.361 1.095 0 C-N-CA 125.098 1.359 . . . . 1.03 114.09 178.541 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 85.5 mt -85.07 -24.23 28.2 Favored 'General case' 0 C--N 1.359 1.018 0 C-N-CA 125.953 1.701 . . . . 2.35 113.294 177.355 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . 0.255 1.0 OUTLIER -96.39 -19.61 6.1 Favored 'Isoleucine or valine' 0 C--N 1.37 1.469 0 CA-C-N 118.994 0.815 . . . . 1.07 112.334 176.19 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 38.1 tpt85 86.72 51.91 0.01 OUTLIER 'General case' 0 C--N 1.371 1.524 0 C-N-CA 128.999 2.919 . . . . 3.61 112.639 167.685 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 85.1 mt -134.85 -167.57 2.01 Favored 'General case' 0 C--N 1.359 1.013 0 N-CA-C 106.71 -1.589 . . . . 1.12 106.71 176.208 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 81.9 p -102.09 145.44 30.5 Favored Pre-proline 0 C--N 1.365 1.281 0 C-N-CA 125.987 1.715 . . . . 1.36 108.393 -177.129 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_exo -61.5 -18.64 60.78 Favored 'Trans proline' 0 C--N 1.366 1.454 1 C-N-CA 126.127 4.552 . . . . 1.0 116.559 172.524 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 14.3 t -89.3 -30.19 18.63 Favored 'General case' 0 C--N 1.363 1.172 0 C-N-CA 126.635 1.974 . . . . 1.13 110.921 -176.355 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -80.94 -33.18 34.18 Favored 'General case' 0 C--N 1.375 1.679 0 C-N-CA 124.672 1.189 . . . . 1.04 111.839 177.644 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.2 p -70.21 -39.93 77.47 Favored 'Isoleucine or valine' 0 C--N 1.382 1.988 0 C-N-CA 125.419 1.488 . . . . 1.07 111.204 174.749 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.42 -33.74 76.56 Favored 'General case' 0 C--N 1.367 1.356 0 N-CA-C 115.568 1.692 . . . . 1.54 115.568 171.457 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.317 0.5 OUTLIER -80.51 -9.69 12.13 Favored 'Isoleucine or valine' 0 C--N 1.386 2.16 0 CA-C-N 121.671 2.032 . . . . 1.32 114.886 167.475 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 17.1 t90 -74.97 -37.05 62.02 Favored 'General case' 0 C--N 1.376 1.723 0 CA-C-N 120.891 1.678 . . . . 0.28 111.714 170.217 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 -85.09 -12.38 53.11 Favored 'General case' 0 C--N 1.367 1.342 0 C-N-CA 127.547 2.339 . . . . 0.46 113.523 177.671 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -70.03 -40.84 74.94 Favored 'General case' 0 C--N 1.367 1.357 0 C-N-CA 127.981 2.512 . . . . 1.34 112.091 163.926 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -91.62 -23.58 19.81 Favored 'General case' 0 C--N 1.367 1.327 0 C-N-CA 126.293 1.837 . . . . 0.56 113.785 -171.143 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . 2.221 46.5 t60 -67.34 -41.57 85.0 Favored 'General case' 0 C--N 1.375 1.691 0 C-N-CA 125.954 1.702 . . . . 2.39 112.8 -178.076 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.13 37.75 0.69 Allowed 'General case' 0 C--N 1.373 1.609 0 C-N-CA 128.219 2.608 . . . . 3.79 112.898 -176.426 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.451 ' HB2' ' H ' ' A' ' 63' ' ' LYS 2.44 0.0 OUTLIER 176.23 96.08 0.01 OUTLIER 'General case' 0 CA--C 1.493 -1.221 0 N-CA-C 102.685 -3.08 . . . . 6.38 102.685 173.047 . . . . . . . . 4 4 . 1 . 025 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.451 ' H ' ' HB2' ' A' ' 62' ' ' TYR 0.283 30.9 mmmt 136.61 81.56 0.0 OUTLIER 'General case' 0 N--CA 1.446 -0.64 1 C-N-CA 135.375 5.47 . . . . 5.9 105.706 168.295 . . . . . . . . 4 3 . 1 . 025 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . 2.107 0.0 OUTLIER -48.33 -102.99 0.0 OUTLIER 'General case' 0 C--N 1.374 1.67 1 C-N-CA 134.057 4.943 . . . . 3.68 116.085 169.858 . . . . . . . . 4 3 . 1 . 025 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.84 -56.83 3.29 Favored 'General case' 0 C--N 1.36 1.024 0 C-N-CA 126.94 2.096 . . . . 8.17 114.007 -159.207 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.3 tpt180 -108.05 97.09 6.84 Favored 'General case' 0 C--N 1.364 1.23 0 N-CA-C 104.953 -2.24 . . . . 11.25 104.953 171.885 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -99.47 89.15 4.07 Favored 'General case' 0 C--N 1.363 1.158 0 C-N-CA 124.875 1.27 . . . . 9.1 112.447 -169.027 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . 2.237 6.6 pt20 -74.11 -71.23 0.34 Allowed 'General case' 0 C--N 1.354 0.764 0 C-N-CA 130.816 3.646 . . . . 9.58 113.812 172.634 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . 2.227 73.4 m-80 -72.04 16.45 0.12 Allowed 'General case' 0 N--CA 1.489 1.481 1 C-N-CA 134.135 4.974 . . . . 12.3 119.3 -156.972 . . . . . . . . 3 2 . 1 . 025 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -80.88 96.68 7.11 Favored 'General case' 0 CA--C 1.501 -0.911 0 C-N-CA 130.522 3.529 . . . . 12.57 107.737 170.838 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 58.2 mttm -49.03 159.35 0.27 Allowed 'General case' 0 C--N 1.358 0.949 0 C-N-CA 130.388 3.475 . . . . 16.33 120.319 -136.649 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 111.12 69.79 0.59 Allowed Glycine 0 C--N 1.358 1.801 0 N-CA-C 106.259 -2.736 . . . . 15.41 106.259 -149.42 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . 2.316 0.0 OUTLIER -59.22 24.72 0.01 OUTLIER 'General case' 0 C--N 1.372 1.58 0 N-CA-C 121.452 3.871 . . . . 13.81 121.452 -169.229 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -132.78 82.25 1.99 Allowed 'General case' 0 N--CA 1.438 -1.027 0 C-N-CA 128.177 2.591 . . . . 14.6 108.638 -174.735 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 144.54 93.58 0.16 Allowed Glycine 0 C--N 1.359 1.828 0 N-CA-C 110.662 -0.975 . . . . 15.93 110.662 166.625 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 80.6 t60 -160.59 137.58 6.65 Favored Pre-proline 0 C--N 1.361 1.084 0 N-CA-C 104.746 -2.316 . . . . 18.34 104.746 178.855 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo . . . . . 0 C--O 1.261 1.647 0 C-N-CA 123.74 2.96 . . . . 17.68 109.113 169.457 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.651 0.262 . . . . 17.23 110.428 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.5 m -139.33 27.26 2.33 Favored 'General case' 0 C--N 1.36 1.037 0 N-CA-C 106.422 -1.696 . . . . 16.87 106.422 179.089 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -143.42 102.54 3.97 Favored 'General case' 0 C--N 1.365 1.266 0 N-CA-C 106.464 -1.68 . . . . 17.01 106.464 -175.825 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -99.5 109.26 3.71 Favored Glycine 0 C--N 1.366 2.226 0 N-CA-C 108.146 -1.982 . . . . 15.79 108.146 174.048 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.4 pp -153.07 160.23 31.21 Favored Pre-proline 0 C--N 1.359 0.991 0 N-CA-C 106.027 -1.842 . . . . 16.2 106.027 -170.355 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -81.46 150.11 16.97 Favored 'Trans proline' 0 C--N 1.363 1.31 0 C-N-CA 123.536 2.824 . . . . 14.32 113.225 -166.98 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 38.0 t30 -103.15 102.39 12.39 Favored 'General case' 0 C--N 1.365 1.264 0 C-N-CA 126.994 2.117 . . . . 15.54 105.324 168.669 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.4 mtmp? -95.94 159.14 15.12 Favored 'General case' 0 C--N 1.36 1.041 0 C-N-CA 126.073 1.749 . . . . 17.23 113.763 -159.196 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . 2.461 23.0 pttp 124.44 -166.21 0.0 OUTLIER 'General case' 0 C--N 1.363 1.172 0 C-N-CA 126.712 2.005 . . . . 14.38 108.964 167.161 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.298 24.3 ttp180 87.66 -126.19 0.01 OUTLIER 'General case' 0 C--N 1.366 1.29 0 C-N-CA 129.26 3.024 . . . . 13.85 111.979 177.506 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.0 ttmp? 84.24 56.66 0.01 OUTLIER 'General case' 0 C--N 1.37 1.477 0 C-N-CA 129.176 2.991 . . . . 13.21 111.448 179.397 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.65 -159.67 0.26 Allowed 'General case' 0 N--CA 1.428 -1.559 0 C-N-CA 130.467 3.507 . . . . 10.61 116.86 -170.846 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . 2.31 0.0 OUTLIER -44.53 -6.01 0.01 OUTLIER 'General case' 0 C--N 1.374 1.654 2 C-N-CA 138.288 6.635 . . . . 8.2 122.58 179.097 . . . . . . . . 4 3 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 6.4 m -95.72 124.68 48.46 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.109 1 C-N-CA 132.715 4.406 . . . . 4.36 111.071 -163.609 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.9 mp -146.1 127.83 15.27 Favored 'General case' 0 N--CA 1.439 -1.007 0 N-CA-C 102.358 -3.201 . . . . 5.24 102.358 -173.353 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.491 ' HB3' ' HB2' ' A' ' 20' ' ' GLN . 14.8 m-30 -84.27 147.91 26.97 Favored 'General case' 0 C--N 1.362 1.144 0 N-CA-C 117.27 2.322 . . . . 1.53 117.27 -153.237 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.3 m -115.09 -169.15 1.5 Allowed 'General case' 0 C--N 1.371 1.527 0 C-N-CA 128.57 2.748 . . . . 1.31 107.895 -178.705 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.03 0.03 29.39 Favored 'General case' 0 C--N 1.37 1.463 0 C-N-CA 127.091 2.156 . . . . 3.73 116.634 -167.258 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.33 -43.15 15.06 Favored 'General case' 0 C--N 1.363 1.164 0 C-N-CA 126.204 1.802 . . . . 1.13 112.102 165.98 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.491 ' HB2' ' HB3' ' A' ' 16' ' ' PHE . 41.3 mm-40 -77.4 -44.82 27.91 Favored 'General case' 0 C--N 1.367 1.357 0 C-N-CA 128.394 2.678 . . . . 0.86 111.395 -171.107 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 81.1 p -66.02 -33.53 76.02 Favored 'General case' 0 C--N 1.37 1.463 0 C-N-CA 127.755 2.422 . . . . 1.12 113.364 174.727 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 56.6 t80 -64.7 -49.87 69.21 Favored 'General case' 0 C--N 1.368 1.382 0 C-N-CA 127.703 2.401 . . . . 1.22 113.343 178.437 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -71.54 -35.68 70.73 Favored 'General case' 0 C--N 1.361 1.073 0 C-N-CA 126.217 1.807 . . . . 1.06 115.627 -178.594 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 93.5 mt -71.49 -40.08 70.43 Favored 'General case' 0 C--N 1.361 1.094 0 C-N-CA 126.329 1.851 . . . . 1.05 115.193 178.819 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -69.82 -33.24 72.05 Favored 'General case' 0 C--N 1.361 1.079 0 C-N-CA 127.363 2.265 . . . . 1.66 115.117 171.809 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -76.78 -27.0 55.12 Favored 'General case' 0 C--N 1.371 1.507 0 N-CA-C 116.101 1.889 . . . . 2.54 116.101 178.228 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.26 41.7 mmm-85 -75.41 -31.14 60.3 Favored 'General case' 0 C--N 1.368 1.389 0 C-N-CA 123.496 0.719 . . . . 1.89 112.166 165.619 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -69.28 -23.97 63.91 Favored 'General case' 0 C--N 1.374 1.648 0 C-N-CA 126.568 1.947 . . . . 0.83 113.965 -178.363 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 19.3 mmm-85 -74.33 -42.56 59.22 Favored 'General case' 0 C--N 1.365 1.282 0 C-N-CA 127.093 2.157 . . . . 4.57 114.324 174.585 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 64.3 tp60 -92.45 -23.36 19.18 Favored 'General case' 0 C--N 1.36 1.064 0 C-N-CA 128.079 2.552 . . . . 2.53 113.006 -172.27 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -158.45 156.59 30.63 Favored 'General case' 0 C--N 1.363 1.169 0 N-CA-C 106.64 -1.615 . . . . 2.04 106.64 -177.459 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 15.2 mtm105 -105.15 -33.3 8.31 Favored 'General case' 0 C--N 1.366 1.289 0 C-N-CA 124.991 1.316 . . . . 4.25 108.597 -179.857 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 49.9 p90 -125.87 146.49 49.8 Favored 'General case' 0 N--CA 1.437 -1.092 0 C-N-CA 127.539 2.336 . . . . 5.9 106.843 -178.651 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -153.19 123.55 7.11 Favored 'General case' 0 CA--C 1.499 -0.986 0 N-CA-C 102.816 -3.031 . . . . 1.23 102.816 -170.845 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 29.1 p -93.59 160.75 14.64 Favored 'General case' 0 C--N 1.365 1.239 0 C-N-CA 127.178 2.191 . . . . 2.04 110.735 -165.784 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . 0.256 . . -44.25 -43.73 16.31 Favored Pre-proline 0 C--N 1.367 1.359 0 N-CA-C 120.587 3.551 . . . . 1.23 120.587 -164.967 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_exo -67.27 -34.04 28.7 Favored 'Trans proline' 0 C--N 1.359 1.12 0 C-N-CA 124.253 3.302 . . . . 1.03 115.281 177.887 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -95.44 -20.15 19.3 Favored 'General case' 0 C--N 1.365 1.26 0 C-N-CA 126.551 1.941 . . . . 1.7 113.395 178.554 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 -83.92 -35.18 24.24 Favored 'General case' 0 C--N 1.375 1.695 0 CA-C-N 120.082 1.31 . . . . 3.04 111.956 -175.833 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -81.32 -16.12 53.37 Favored 'General case' 0 C--N 1.373 1.628 0 C-N-CA 126.719 2.007 . . . . 1.74 111.666 176.56 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 46.4 t-80 -80.79 -28.49 36.32 Favored 'General case' 0 C--N 1.366 1.296 0 C-N-CA 128.375 2.67 . . . . 2.01 111.666 174.695 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -73.44 -33.77 65.08 Favored 'General case' 0 C--N 1.37 1.461 0 C-N-CA 128.224 2.61 . . . . 1.19 112.293 171.944 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -78.86 -27.07 44.05 Favored 'General case' 0 C--N 1.363 1.172 0 C-N-CA 127.221 2.208 . . . . 1.07 113.886 175.061 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 75.7 m -83.35 -25.29 31.55 Favored 'General case' 0 C--N 1.359 1.018 0 C-N-CA 126.006 1.722 . . . . 1.03 112.522 175.238 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 48.2 tp -74.3 -39.89 62.6 Favored 'General case' 0 C--N 1.362 1.132 0 C-N-CA 128.007 2.523 . . . . 2.35 112.421 174.554 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.7 pt -103.84 -15.69 8.02 Favored 'Isoleucine or valine' 0 C--N 1.367 1.35 0 N-CA-C 113.505 0.928 . . . . 1.07 113.505 -173.978 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 23.2 tpt180 88.5 57.03 0.01 OUTLIER 'General case' 0 C--N 1.369 1.415 0 C-N-CA 129.394 3.078 . . . . 3.61 113.935 169.979 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 94.5 mt -134.65 -171.45 2.78 Favored 'General case' 0 C--N 1.361 1.094 0 C-N-CA 124.987 1.315 . . . . 1.12 108.089 175.527 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 31.8 p -110.22 158.75 34.33 Favored Pre-proline 0 C--N 1.368 1.381 0 C-N-CA 126.526 1.93 . . . . 1.36 110.289 179.933 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 78.6 Cg_exo -65.91 -19.5 58.3 Favored 'Trans proline' 0 C--N 1.371 1.715 1 C-N-CA 125.679 4.252 . . . . 1.0 117.466 -176.711 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 14.1 t -88.72 -29.1 20.09 Favored 'General case' 0 C--N 1.365 1.253 0 C-N-CA 125.711 1.605 . . . . 1.13 111.685 -175.888 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -84.81 -32.71 23.17 Favored 'General case' 0 C--N 1.368 1.387 0 C-N-CA 124.269 1.028 . . . . 1.04 112.39 179.031 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 8.0 p -67.41 -42.88 87.78 Favored 'Isoleucine or valine' 0 C--N 1.38 1.92 0 C-N-CA 124.055 0.942 . . . . 1.07 112.211 169.007 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.24 -37.26 86.84 Favored 'General case' 0 C--N 1.366 1.311 0 C-N-CA 127.128 2.171 . . . . 1.54 115.797 172.626 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.362 0.5 OUTLIER -77.38 -10.75 13.29 Favored 'Isoleucine or valine' 0 C--N 1.383 2.053 0 CA-C-N 121.397 1.908 . . . . 1.32 114.605 169.463 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 17.8 t90 -75.03 -41.22 59.65 Favored 'General case' 0 C--N 1.372 1.569 0 CA-C-N 120.355 1.434 . . . . 0.28 112.409 169.294 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 -85.14 -7.02 59.26 Favored 'General case' 0 C--N 1.367 1.357 0 C-N-CA 126.205 1.802 . . . . 0.46 113.084 178.389 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -71.41 -43.36 66.94 Favored 'General case' 0 C--N 1.364 1.226 0 C-N-CA 128.278 2.631 . . . . 1.34 112.326 162.901 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -90.46 -34.45 15.59 Favored 'General case' 0 C--N 1.366 1.313 0 C-N-CA 126.415 1.886 . . . . 0.56 114.233 -168.89 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -83.52 -13.66 54.05 Favored 'General case' 0 C--N 1.361 1.088 0 N-CA-C 115.378 1.622 . . . . 2.39 115.378 -167.636 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . 0.313 12.1 ptm180 -87.09 52.18 2.45 Favored 'General case' 0 C--N 1.371 1.522 0 C-N-CA 129.449 3.099 . . . . 3.79 114.217 167.308 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -159.97 55.51 0.36 Allowed 'General case' 0 C--N 1.38 1.908 0 CA-C-N 121.134 1.788 . . . . 6.38 114.842 -163.899 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 63.96 51.44 2.3 Favored 'General case' 0 N--CA 1.494 1.77 0 CA-C-N 120.215 1.37 . . . . 5.9 112.491 170.447 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . 0.328 0.2 OUTLIER -95.54 94.32 7.7 Favored 'General case' 0 C--N 1.365 1.25 0 CA-C-O 125.776 2.703 . . . . 3.68 109.455 -140.379 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -48.84 28.84 0.0 OUTLIER 'General case' 0 CA--C 1.543 0.692 1 C-N-CA 135.076 5.35 . . . . 8.17 118.715 153.27 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.0 tpt180 -109.18 97.79 7.34 Favored 'General case' 0 C--N 1.361 1.093 0 C-N-CA 127.327 2.251 . . . . 11.25 107.932 -170.166 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -100.91 85.57 2.89 Favored 'General case' 0 C--N 1.363 1.187 0 C-N-CA 127.553 2.341 . . . . 9.1 108.39 176.381 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -106.15 94.46 5.18 Favored 'General case' 0 CA--C 1.506 -0.717 0 C-N-CA 126.898 2.079 . . . . 9.58 109.757 -176.379 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -146.86 56.95 1.15 Allowed 'General case' 0 N--CA 1.439 -1.003 0 C-N-CA 126.688 1.995 . . . . 12.3 107.497 -179.557 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.467 ' CD ' ' H ' ' A' ' 71' ' ' LYS 0.374 1.1 pp20? -58.95 -92.09 0.0 OUTLIER 'General case' 0 C--N 1.361 1.078 0 C-N-CA 129.822 3.249 . . . . 12.57 116.066 170.249 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.467 ' H ' ' CD ' ' A' ' 70' ' ' GLU . 71.7 mmtt -92.99 122.98 35.91 Favored 'General case' 0 C--N 1.373 1.628 0 CA-C-N 121.541 1.973 . . . . 16.33 109.264 172.758 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 102.09 61.55 0.74 Allowed Glycine 0 CA--C 1.479 -2.188 0 C-N-CA 127.175 2.321 . . . . 15.41 109.074 -170.362 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 42.6 t80 -142.99 149.61 38.54 Favored 'General case' 0 N--CA 1.405 -2.718 1 N-CA-C 99.142 -4.392 . . . . 13.81 99.142 174.137 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 25.4 pt-20 -82.27 45.86 0.98 Allowed 'General case' 0 C--N 1.324 -0.53 1 C-N-CA 132.95 4.5 . . . . 14.6 115.212 -168.903 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 93.62 -113.69 4.56 Favored Glycine 0 C--N 1.362 2.004 0 C-N-CA 126.035 1.779 . . . . 15.93 111.086 178.034 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 85.2 t60 -157.95 140.61 10.59 Favored Pre-proline 0 C--N 1.359 1.006 0 N-CA-C 104.531 -2.396 . . . . 18.34 104.531 -179.799 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo . . . . . 0 C--O 1.261 1.649 0 C-N-CA 123.841 3.027 . . . . 17.68 109.164 173.539 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.307 0 CA-C-O 120.471 0.176 . . . . 17.23 110.772 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.9 t -152.19 -143.76 0.14 Allowed 'General case' 0 C--N 1.363 1.184 0 N-CA-C 104.633 -2.358 . . . . 16.87 104.633 179.496 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.438 ' H ' ' H ' ' A' ' 4' ' ' GLY . 7.3 p-10 -143.99 -28.94 0.51 Allowed 'General case' 0 C--N 1.356 0.875 0 C-N-CA 125.893 1.677 . . . . 17.01 106.799 -179.981 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.438 ' H ' ' H ' ' A' ' 3' ' ' ASP . . . -104.51 90.92 0.75 Allowed Glycine 0 C--N 1.364 2.121 0 C-N-CA 126.15 1.833 . . . . 15.79 108.571 176.321 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.1 pp -161.37 172.23 5.97 Favored Pre-proline 0 C--N 1.358 0.973 0 N-CA-C 105.465 -2.05 . . . . 16.2 105.465 -175.611 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.453 ' HB3' ' HE ' ' A' ' 12' ' ' ARG . 56.6 Cg_endo -79.93 105.56 1.82 Allowed 'Trans proline' 0 C--N 1.362 1.267 0 C-N-CA 124.003 3.135 . . . . 14.32 110.077 166.975 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 21.6 t30 -89.14 -41.51 12.23 Favored 'General case' 0 C--N 1.364 1.211 0 C-N-CA 126.242 1.817 . . . . 15.54 110.974 -169.578 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.8 tptp -107.32 137.71 44.86 Favored 'General case' 0 C--N 1.362 1.113 0 C-N-CA 126.054 1.742 . . . . 17.23 106.488 174.849 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . 0.285 72.6 mmtt 84.67 -93.28 0.01 OUTLIER 'General case' 0 C--N 1.364 1.226 0 C-N-CA 128.68 2.792 . . . . 14.38 111.22 -178.867 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 32.2 ttm180 78.14 57.23 0.03 OUTLIER 'General case' 0 C--N 1.37 1.48 0 C-N-CA 129.041 2.936 . . . . 13.85 110.703 -178.222 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 58.2 mtmt -132.81 -10.8 3.06 Favored 'General case' 0 C--N 1.359 1.016 0 C-N-CA 125.241 1.416 . . . . 13.21 108.506 -173.777 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.453 ' HE ' ' HB3' ' A' ' 6' ' ' PRO . 0.0 OUTLIER -80.56 146.34 31.31 Favored 'General case' 0 C--N 1.368 1.372 0 C-N-CA 129.528 3.131 . . . . 10.61 110.691 165.379 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.5 mmm180 -84.19 164.95 18.81 Favored 'General case' 0 C--N 1.369 1.424 0 C-N-CA 130.161 3.385 . . . . 8.2 114.471 14.65 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 19.2 m -113.42 138.19 43.9 Favored 'Isoleucine or valine' 0 C--N 1.359 1.012 0 C-N-CA 127.429 2.292 . . . . 4.36 109.372 -160.266 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -137.4 137.87 39.27 Favored 'General case' 0 N--CA 1.438 -1.037 0 N-CA-C 105.955 -1.869 . . . . 5.24 105.955 175.172 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 -105.89 110.06 22.23 Favored 'General case' 0 C--N 1.365 1.258 0 C-N-CA 126.9 2.08 . . . . 1.53 108.122 166.731 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 43.9 m -131.41 -167.57 1.88 Allowed 'General case' 0 C--N 1.35 0.63 0 C-N-CA 128.444 2.697 . . . . 1.31 106.589 174.409 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.84 -8.27 57.02 Favored 'General case' 0 C--N 1.37 1.459 0 C-N-CA 127.12 2.168 . . . . 3.73 116.376 -170.401 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.9 -34.29 51.55 Favored 'General case' 0 C--N 1.367 1.333 0 C-N-CA 126.804 2.042 . . . . 1.13 112.703 171.554 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 42.9 mm-40 -77.39 -51.38 10.91 Favored 'General case' 0 C--N 1.366 1.304 0 C-N-CA 128.695 2.798 . . . . 0.86 110.545 -171.929 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 75.6 p -64.93 -33.5 76.17 Favored 'General case' 0 C--N 1.368 1.397 0 C-N-CA 127.484 2.314 . . . . 1.12 112.974 177.294 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -59.75 -64.48 0.93 Allowed 'General case' 0 C--N 1.372 1.569 0 C-N-CA 128.217 2.607 . . . . 1.22 112.928 175.023 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -67.28 -32.59 73.7 Favored 'General case' 0 C--N 1.375 1.711 0 N-CA-C 115.022 1.489 . . . . 1.06 115.022 -174.029 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 98.1 mt -67.85 -39.25 83.83 Favored 'General case' 0 C--N 1.361 1.106 0 N-CA-C 116.039 1.866 . . . . 1.05 116.039 176.93 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -75.25 -29.25 60.14 Favored 'General case' 0 C--N 1.361 1.08 0 C-N-CA 126.904 2.082 . . . . 1.66 114.597 177.659 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.8 mtm180 -69.17 -49.99 51.67 Favored 'General case' 0 C--N 1.374 1.649 0 C-N-CA 124.561 1.144 . . . . 2.54 112.181 176.574 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.456 0.0 OUTLIER -85.38 0.96 50.56 Favored 'General case' 0 C--N 1.375 1.705 0 N-CA-C 114.162 1.171 . . . . 1.89 114.162 179.457 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -78.03 -35.72 49.41 Favored 'General case' 0 C--N 1.374 1.658 0 C-N-CA 125.803 1.641 . . . . 0.83 113.206 162.46 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.3 mmm-85 -72.74 -33.82 66.64 Favored 'General case' 0 C--N 1.371 1.521 0 C-N-CA 125.859 1.664 . . . . 4.57 114.442 172.978 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 67.1 tp60 -91.82 -26.64 18.43 Favored 'General case' 0 N--CA 1.433 -1.321 0 C-N-CA 127.968 2.507 . . . . 2.53 112.695 -175.821 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 18.7 mm100 -143.33 137.62 28.91 Favored 'General case' 0 C--N 1.368 1.377 0 N-CA-C 107.812 -1.181 . . . . 2.04 107.812 -178.397 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . 2.131 0.4 OUTLIER -105.02 67.47 0.79 Allowed 'General case' 0 N--CA 1.5 2.042 0 C-N-CA 127.478 2.311 . . . . 4.25 110.046 154.576 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . 0.381 0.3 OUTLIER -148.24 -108.64 0.08 Allowed 'General case' 0 C--N 1.365 1.241 0 CA-C-O 115.842 -2.028 . . . . 5.9 111.829 -167.316 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -135.22 158.5 44.21 Favored 'General case' 0 C--N 1.381 1.97 3 C-N-CA 141.266 7.826 . . . . 1.23 97.702 19.38 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 27.9 p -84.53 149.75 25.7 Favored 'General case' 0 C--N 1.375 1.696 0 O-C-N 119.632 -1.918 . . . . 2.04 111.125 -170.902 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.73 -39.24 75.94 Favored Pre-proline 0 C--N 1.365 1.256 0 N-CA-C 119.602 3.186 . . . . 1.23 119.602 -167.358 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_exo -66.49 -26.33 47.45 Favored 'Trans proline' 0 C--N 1.364 1.35 0 C-N-CA 124.748 3.632 . . . . 1.03 115.474 173.826 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -99.55 -14.36 19.06 Favored 'General case' 0 C--N 1.364 1.221 0 C-N-CA 125.76 1.624 . . . . 1.7 114.082 174.239 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.2 ptt180 -85.83 -40.5 15.94 Favored 'General case' 0 C--N 1.375 1.717 0 CA-C-N 121.315 1.87 . . . . 3.04 112.384 -176.403 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -77.13 -27.63 54.04 Favored 'General case' 0 C--N 1.37 1.469 0 C-N-CA 128.82 2.848 . . . . 1.74 111.669 178.266 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 42.7 t-80 -83.94 -25.15 30.34 Favored 'General case' 0 C--N 1.367 1.343 0 C-N-CA 127.625 2.37 . . . . 2.01 111.456 -178.477 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -74.88 -31.78 61.69 Favored 'General case' 0 C--N 1.368 1.381 0 C-N-CA 128.127 2.571 . . . . 1.19 112.052 170.91 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.5 -27.61 58.85 Favored 'General case' 0 C--N 1.364 1.203 0 C-N-CA 127.216 2.206 . . . . 1.07 113.202 173.15 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 49.5 m -85.01 -27.45 26.41 Favored 'General case' 0 C--N 1.361 1.103 0 C-N-CA 126.196 1.798 . . . . 1.03 114.03 173.494 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 50.7 tp -74.39 -39.49 62.65 Favored 'General case' 0 C--N 1.362 1.152 0 C-N-CA 127.52 2.328 . . . . 2.35 112.391 179.317 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.9 pt -106.21 -17.75 7.49 Favored 'Isoleucine or valine' 0 C--N 1.363 1.178 0 C-N-CA 124.078 0.951 . . . . 1.07 112.099 -173.963 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 12.7 tpp180 87.74 65.01 0.01 OUTLIER 'General case' 0 C--N 1.374 1.656 0 C-N-CA 128.654 2.782 . . . . 3.61 113.999 168.581 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 96.8 mt -138.3 -173.46 3.54 Favored 'General case' 0 C--N 1.36 1.062 0 C-N-CA 124.389 1.076 . . . . 1.12 108.461 176.383 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.448 HG22 ' H ' ' A' ' 51' ' ' THR . 80.2 p -90.67 144.28 30.24 Favored Pre-proline 0 C--N 1.371 1.532 0 C-N-CA 126.273 1.829 . . . . 1.36 109.715 175.447 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -62.07 -21.05 71.74 Favored 'Trans proline' 0 C--N 1.362 1.237 1 C-N-CA 126.032 4.488 . . . . 1.0 116.52 172.876 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.448 ' H ' HG22 ' A' ' 49' ' ' THR . 13.5 t -86.33 -27.25 24.43 Favored 'General case' 0 C--N 1.366 1.297 0 C-N-CA 126.082 1.753 . . . . 1.13 111.114 -178.588 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -81.73 -32.45 31.57 Favored 'General case' 0 C--N 1.373 1.628 0 CA-C-N 119.185 0.902 . . . . 1.04 112.9 177.171 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.2 p -70.64 -38.35 72.9 Favored 'Isoleucine or valine' 0 C--N 1.376 1.751 0 C-N-CA 125.284 1.434 . . . . 1.07 112.566 174.139 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.49 -50.61 72.51 Favored 'General case' 0 C--N 1.375 1.693 0 C-N-CA 126.895 2.078 . . . . 1.54 114.615 171.139 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.276 6.9 mt -84.1 -2.26 6.9 Favored 'Isoleucine or valine' 0 C--N 1.369 1.444 0 N-CA-C 114.642 1.349 . . . . 1.32 114.642 177.623 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 31.9 t90 -74.43 -42.04 59.83 Favored 'General case' 0 C--N 1.379 1.858 0 C-N-CA 126.046 1.738 . . . . 0.28 110.419 165.916 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -76.22 -19.56 58.27 Favored 'General case' 0 C--N 1.371 1.513 0 C-N-CA 125.005 1.322 . . . . 0.46 113.628 175.946 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 18.8 tt0 -78.36 -35.98 46.69 Favored 'General case' 0 C--N 1.363 1.163 0 C-N-CA 127.153 2.181 . . . . 1.34 112.996 173.135 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 60.0 m-20 -95.02 -26.63 16.0 Favored 'General case' 0 C--N 1.368 1.377 0 C-N-CA 125.474 1.51 . . . . 0.56 114.083 -174.679 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -90.19 17.91 6.54 Favored 'General case' 0 C--N 1.367 1.344 0 C-N-CA 124.892 1.277 . . . . 2.39 113.564 -175.591 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . 0.376 0.0 OUTLIER -85.2 -22.86 28.55 Favored 'General case' 0 C--N 1.375 1.674 0 C-N-CA 126.043 1.737 . . . . 3.79 113.139 171.989 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 45.0 p90 -163.93 122.06 1.85 Allowed 'General case' 0 N--CA 1.429 -1.502 0 N-CA-C 105.765 -1.939 . . . . 6.38 105.765 125.476 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 48.1 tptt -125.02 79.45 1.79 Allowed 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 113.819 -1.537 . . . . 5.9 107.235 84.607 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 23.9 m -76.19 5.38 6.97 Favored 'General case' 0 C--N 1.365 1.259 0 C-N-CA 130.19 3.396 . . . . 3.68 118.81 -167.36 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.23 -119.14 0.06 Allowed 'General case' 0 C--N 1.366 1.311 0 C-N-CA 126.348 1.859 . . . . 8.17 111.208 -170.543 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -172.14 -40.34 0.02 OUTLIER 'General case' 0 C--N 1.353 0.744 0 N-CA-C 105.749 -1.945 . . . . 11.25 105.749 -176.832 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -100.4 103.08 14.44 Favored 'General case' 0 C--N 1.365 1.243 0 C-N-CA 126.766 2.026 . . . . 9.1 108.484 178.144 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -105.47 37.72 2.15 Favored 'General case' 0 C--N 1.363 1.154 0 C-N-CA 127.374 2.269 . . . . 9.58 110.546 -179.605 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.429 HD22 ' HB2' ' A' ' 73' ' ' TYR . 6.5 t30 -152.35 56.7 0.82 Allowed 'General case' 0 N--CA 1.436 -1.149 0 C-N-CA 129.638 3.175 . . . . 12.3 103.369 -177.845 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . 0.397 1.9 pm0 -51.19 -82.28 0.01 OUTLIER 'General case' 0 C--N 1.368 1.388 0 C-N-CA 128.945 2.898 . . . . 12.57 118.395 178.213 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.75 133.52 39.76 Favored 'General case' 0 C--N 1.38 1.925 0 CA-C-N 122.384 2.356 . . . . 16.33 109.224 176.118 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 93.0 64.62 1.08 Allowed Glycine 0 C--N 1.361 1.929 0 C-N-CA 126.392 1.949 . . . . 15.41 109.175 -172.846 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.429 ' HB2' HD22 ' A' ' 69' ' ' ASN 2.315 0.7 OUTLIER -69.6 56.59 0.12 Allowed 'General case' 0 C--N 1.369 1.443 0 C-N-CA 130.839 3.656 . . . . 13.81 116.713 -164.686 . . . . . . . . 4 4 . 1 . 027 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 59.0 mm-40 -97.02 67.61 2.23 Favored 'General case' 0 N--CA 1.444 -0.74 0 C-N-CA 131.069 3.748 . . . . 14.6 108.93 -178.383 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -171.82 99.61 0.14 Allowed Glycine 0 CA--C 1.494 -1.25 0 N-CA-C 103.857 -3.697 . . . . 15.93 103.857 -177.17 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 75.4 m80 -120.67 98.12 48.2 Favored Pre-proline 0 C--N 1.359 1.004 0 C-N-CA 125.374 1.47 . . . . 18.34 107.705 -170.029 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo . . . . . 0 C--O 1.262 1.718 0 C-N-CA 123.79 2.993 . . . . 17.68 109.445 -178.786 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.122 0 N-CA-C 110.449 -0.204 . . . . 17.23 110.449 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.2 p -152.57 17.41 0.61 Allowed 'General case' 0 C--N 1.361 1.094 0 N-CA-C 108.796 -0.816 . . . . 16.87 108.796 -179.509 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -164.43 49.34 0.12 Allowed 'General case' 0 C--N 1.361 1.09 0 N-CA-C 105.094 -2.188 . . . . 17.01 105.094 -179.985 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.81 -86.6 1.19 Allowed Glycine 0 C--N 1.365 2.183 0 C-N-CA 125.221 1.391 . . . . 15.79 111.37 -179.391 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 24.5 mt -121.11 166.95 14.32 Favored Pre-proline 0 C--N 1.366 1.296 0 N-CA-C 105.27 -2.122 . . . . 16.2 105.27 173.903 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -79.95 100.23 1.26 Allowed 'Trans proline' 0 C--N 1.365 1.415 0 C-N-CA 123.865 3.044 . . . . 14.32 109.785 173.188 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -104.07 80.67 1.76 Allowed 'General case' 0 C--N 1.363 1.186 0 C-N-CA 126.285 1.834 . . . . 15.54 108.35 -169.827 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.403 ' H ' ' H ' ' A' ' 9' ' ' LYS . 65.1 tttm -153.69 -16.07 0.14 Allowed 'General case' 0 C--N 1.354 0.779 0 N-CA-C 105.595 -2.002 . . . . 17.23 105.595 -178.529 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.403 ' H ' ' H ' ' A' ' 8' ' ' LYS . 20.5 ptmt -121.29 -8.16 9.23 Favored 'General case' 0 C--N 1.361 1.102 0 C-N-CA 127.402 2.281 . . . . 14.38 108.787 179.571 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 26.4 mmt85 -106.51 127.15 53.09 Favored 'General case' 0 C--N 1.366 1.31 0 C-N-CA 126.319 1.848 . . . . 13.85 108.232 -174.754 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . 0.257 67.5 mttm 82.86 -77.15 0.03 OUTLIER 'General case' 0 C--N 1.367 1.366 0 C-N-CA 129.073 2.949 . . . . 13.21 111.61 179.288 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.427 ' HG2' ' H ' ' A' ' 13' ' ' ARG . 10.7 ttp180 64.21 -162.17 0.28 Allowed 'General case' 0 C--N 1.366 1.322 0 C-N-CA 129.699 3.2 . . . . 10.61 117.488 167.211 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.427 ' H ' ' HG2' ' A' ' 12' ' ' ARG . 15.6 mmm180 -105.12 162.48 13.35 Favored 'General case' 0 C--N 1.361 1.086 0 C-N-CA 128.011 2.524 . . . . 8.2 109.744 -177.095 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.5 m -139.04 137.77 41.96 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.169 0 C-N-CA 128.743 2.817 . . . . 4.36 103.807 -171.168 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.2 mp -144.99 146.01 31.75 Favored 'General case' 0 C--N 1.356 0.869 0 N-CA-C 105.644 -1.984 . . . . 5.24 105.644 -177.04 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 59.1 m-85 -106.01 97.32 7.15 Favored 'General case' 0 C--N 1.365 1.254 0 C-N-CA 127.987 2.515 . . . . 1.53 107.672 174.753 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.6 m -117.61 -166.96 1.25 Allowed 'General case' 0 C--N 1.35 0.59 0 C-N-CA 128.534 2.734 . . . . 1.31 107.521 177.478 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.9 pttm -78.42 -6.58 55.69 Favored 'General case' 0 C--N 1.367 1.363 0 C-N-CA 127.24 2.216 . . . . 3.73 115.971 -171.501 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -78.96 -39.43 34.43 Favored 'General case' 0 C--N 1.366 1.307 0 C-N-CA 126.751 2.02 . . . . 1.13 112.422 169.627 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 41.1 mm-40 -75.43 -46.42 32.84 Favored 'General case' 0 C--N 1.366 1.308 0 C-N-CA 128.782 2.833 . . . . 0.86 111.834 -171.675 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 57.0 p -76.12 -27.93 57.27 Favored 'General case' 0 C--N 1.364 1.201 0 C-N-CA 126.413 1.885 . . . . 1.12 111.95 -177.728 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 50.0 t80 -64.87 -52.45 56.5 Favored 'General case' 0 C--N 1.369 1.436 0 C-N-CA 127.595 2.358 . . . . 1.22 112.689 174.943 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -75.17 -33.29 61.46 Favored 'General case' 0 C--N 1.36 1.034 0 N-CA-C 115.84 1.792 . . . . 1.06 115.84 -176.493 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 87.0 mt -72.71 -44.31 61.89 Favored 'General case' 0 C--N 1.363 1.161 0 C-N-CA 126.074 1.749 . . . . 1.05 114.535 178.198 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -69.81 -31.65 69.65 Favored 'General case' 0 C--N 1.364 1.226 0 C-N-CA 126.746 2.018 . . . . 1.66 115.07 173.935 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.5 ptm180 -78.81 -29.03 44.58 Favored 'General case' 0 C--N 1.371 1.519 0 N-CA-C 115.085 1.513 . . . . 2.54 115.085 179.954 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 30.8 mmm-85 -79.72 -22.22 43.61 Favored 'General case' 0 C--N 1.369 1.42 0 C-N-CA 124.017 0.927 . . . . 1.89 112.857 165.776 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -78.29 -32.43 49.41 Favored 'General case' 0 C--N 1.365 1.251 0 O-C-N 120.134 -1.604 . . . . 0.83 114.048 179.308 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 11.4 mmt85 -79.53 -44.56 20.94 Favored 'General case' 0 C--N 1.366 1.298 0 C-N-CA 125.56 1.544 . . . . 4.57 114.094 178.824 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 66.1 tp60 -90.98 -18.24 24.98 Favored 'General case' 0 C--N 1.363 1.167 0 C-N-CA 127.297 2.239 . . . . 2.53 112.494 -173.478 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -142.59 178.98 7.25 Favored 'General case' 0 C--N 1.36 1.05 0 N-CA-C 108.451 -0.944 . . . . 2.04 108.451 -172.327 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 72.2 mtt85 -105.53 -77.57 0.59 Allowed 'General case' 0 C--N 1.367 1.355 0 N-CA-C 106.505 -1.665 . . . . 4.25 106.505 120.676 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . 0.382 15.6 t80 86.94 -55.98 0.05 OUTLIER 'General case' 0 C--N 1.361 1.081 1 C-N-CA 133.633 4.773 . . . . 5.9 113.206 149.233 . . . . . . . . 3 2 . 1 . 028 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . 0.276 0.0 OUTLIER -58.65 107.84 0.56 Allowed 'General case' 0 C--N 1.354 0.799 0 C-N-CA 130.999 3.72 . . . . 1.23 114.146 178.32 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.4 t -110.46 -175.96 2.86 Favored 'General case' 0 C--N 1.363 1.189 0 N-CA-C 104.936 -2.246 . . . . 2.04 104.936 176.113 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . 0.255 . . -47.5 -45.78 57.99 Favored Pre-proline 0 C--N 1.365 1.264 0 N-CA-C 120.257 3.429 . . . . 1.23 120.257 -164.262 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_exo -68.83 -34.34 18.36 Favored 'Trans proline' 0 C--N 1.36 1.166 0 C-N-CA 124.285 3.323 . . . . 1.03 114.686 178.497 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -93.84 -13.11 27.63 Favored 'General case' 0 C--N 1.364 1.206 0 C-N-CA 126.53 1.932 . . . . 1.7 113.809 179.529 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 52.4 ttp180 -83.99 -28.5 27.69 Favored 'General case' 0 C--N 1.371 1.538 0 C-N-CA 127.007 2.123 . . . . 3.04 111.873 174.428 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 58.4 mm-40 -78.85 -21.52 47.46 Favored 'General case' 0 C--N 1.371 1.519 0 C-N-CA 126.696 1.998 . . . . 1.74 112.279 173.174 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 24.6 t60 -83.58 -28.21 28.7 Favored 'General case' 0 C--N 1.363 1.191 0 C-N-CA 128.015 2.526 . . . . 2.01 111.35 177.983 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.52 -52.02 30.24 Favored 'General case' 0 C--N 1.37 1.465 0 C-N-CA 129.323 3.049 . . . . 1.19 111.49 174.279 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.31 -32.16 73.67 Favored 'General case' 0 C--N 1.356 0.876 0 C-N-CA 129.849 3.26 . . . . 1.07 116.07 177.355 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 75.5 m -85.17 -28.63 25.35 Favored 'General case' 0 C--N 1.362 1.132 0 C-N-CA 125.399 1.48 . . . . 1.03 113.568 176.584 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 37.0 tp -74.05 -34.27 64.01 Favored 'General case' 0 C--N 1.361 1.069 0 C-N-CA 126.17 1.788 . . . . 2.35 113.321 175.529 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . 0.25 1.5 pt -106.13 -20.75 5.8 Favored 'Isoleucine or valine' 0 C--N 1.365 1.275 0 C-N-CA 124.506 1.122 . . . . 1.07 112.162 -173.074 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.7 tpp180 94.78 58.59 0.0 OUTLIER 'General case' 0 C--N 1.378 1.822 0 C-N-CA 130.38 3.472 . . . . 3.61 115.162 165.712 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 90.8 mt -130.85 -171.44 2.57 Favored 'General case' 0 C--N 1.358 0.977 0 O-C-N 120.85 -1.156 . . . . 1.12 110.044 179.72 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 79.6 p -95.78 147.03 32.35 Favored Pre-proline 0 C--N 1.368 1.372 0 C-N-CA 127.814 2.445 . . . . 1.36 108.786 177.897 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -61.11 -22.27 74.18 Favored 'Trans proline' 0 C--N 1.364 1.38 1 C-N-CA 126.146 4.564 . . . . 1.0 116.51 172.69 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.6 t -88.07 -27.34 22.03 Favored 'General case' 0 C--N 1.367 1.33 0 C-N-CA 126.017 1.727 . . . . 1.13 111.125 -176.214 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -83.39 -33.25 25.81 Favored 'General case' 0 C--N 1.37 1.475 0 CA-C-N 119.681 1.128 . . . . 1.04 112.381 177.728 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.1 p -68.68 -40.58 81.84 Favored 'Isoleucine or valine' 0 C--N 1.379 1.856 0 C-N-CA 125.421 1.489 . . . . 1.07 113.496 172.357 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.66 -50.17 74.07 Favored 'General case' 0 C--N 1.375 1.691 0 C-N-CA 129.013 2.925 . . . . 1.54 113.282 173.014 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.278 6.4 mt -85.83 -5.5 9.9 Favored 'Isoleucine or valine' 0 C--N 1.367 1.352 0 N-CA-C 114.758 1.392 . . . . 1.32 114.758 -179.29 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 13.6 t90 -75.71 -44.0 44.22 Favored 'General case' 0 C--N 1.379 1.882 0 C-N-CA 125.397 1.479 . . . . 0.28 110.626 168.88 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -82.99 -14.61 53.7 Favored 'General case' 0 C--N 1.372 1.574 0 C-N-CA 125.773 1.629 . . . . 0.46 113.347 179.226 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -74.33 -41.25 61.42 Favored 'General case' 0 C--N 1.361 1.097 0 C-N-CA 126.946 2.099 . . . . 1.34 113.279 172.736 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 50.4 m-20 -90.1 -23.4 21.4 Favored 'General case' 0 C--N 1.367 1.33 0 C-N-CA 125.91 1.684 . . . . 0.56 113.633 -172.075 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 11.4 m80 -75.62 -34.78 60.6 Favored 'General case' 0 C--N 1.365 1.242 0 C-N-CA 126.476 1.91 . . . . 2.39 115.411 -179.339 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -85.49 12.57 8.24 Favored 'General case' 0 C--N 1.365 1.259 0 C-N-CA 126.371 1.868 . . . . 3.79 115.485 -177.542 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . 2.459 6.8 t80 -177.73 76.77 0.02 OUTLIER 'General case' 0 CA--C 1.496 -1.107 0 N-CA-C 107.116 -1.439 . . . . 6.38 107.116 150.833 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.405 ' HE3' ' HA ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER 166.51 103.61 0.0 OUTLIER 'General case' 0 CA--C 1.506 -0.748 0 C-N-CA 131.05 3.74 . . . . 5.9 104.851 147.035 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 20.6 p -79.0 70.95 5.42 Favored 'General case' 0 C--N 1.367 1.341 0 C-N-CA 130.806 3.642 . . . . 3.68 115.111 -168.304 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 20.4 ptmt -74.15 26.22 0.08 Allowed 'General case' 0 C--N 1.347 0.483 1 C-N-CA 133.426 4.69 . . . . 8.17 115.713 167.523 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.455 ' HG2' ' H ' ' A' ' 67' ' ' ALA . 41.2 ttp85 -107.93 -156.76 0.59 Allowed 'General case' 0 C--N 1.365 1.252 0 C-N-CA 126.144 1.778 . . . . 11.25 107.831 -173.0 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.455 ' H ' ' HG2' ' A' ' 66' ' ' ARG . . . -100.18 79.67 2.19 Favored 'General case' 0 C--N 1.367 1.344 0 C-N-CA 125.817 1.647 . . . . 9.1 110.429 -178.09 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -106.27 107.46 18.48 Favored 'General case' 0 N--CA 1.442 -0.851 0 C-N-CA 127.412 2.285 . . . . 9.58 107.092 164.839 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -125.1 64.97 1.13 Allowed 'General case' 0 CA--C 1.497 -1.096 0 N-CA-C 105.704 -1.962 . . . . 12.3 105.704 172.182 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.04 152.33 21.74 Favored 'General case' 0 C--N 1.362 1.149 0 CA-C-N 111.372 -2.649 . . . . 12.57 105.43 137.856 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 23.2 pttp -49.8 112.04 0.6 Allowed 'General case' 0 C--N 1.349 0.567 0 C-N-CA 130.578 3.551 . . . . 16.33 118.127 -156.326 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 83.93 77.86 1.12 Allowed Glycine 0 C--N 1.358 1.776 0 C-N-CA 128.907 3.146 . . . . 15.41 112.483 -177.219 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -66.04 -46.76 76.68 Favored 'General case' 0 C--N 1.367 1.335 0 C-N-CA 128.376 2.67 . . . . 13.81 116.168 -175.289 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -82.06 60.65 4.97 Favored 'General case' 0 C--N 1.348 0.541 0 C-N-CA 131.055 3.742 . . . . 14.6 111.328 167.991 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -123.4 -94.36 1.13 Allowed Glycine 0 C--N 1.355 1.621 0 N-CA-C 106.225 -2.75 . . . . 15.93 106.225 176.918 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 62.8 t-80 -127.77 99.13 26.61 Favored Pre-proline 0 C--N 1.362 1.114 0 N-CA-C 106.197 -1.779 . . . . 18.34 106.197 170.804 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo . . . . . 0 C--O 1.261 1.632 0 C-N-CA 123.571 2.847 . . . . 17.68 110.624 176.461 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.51 0.195 . . . . 17.23 110.81 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.3 t -144.47 23.87 1.6 Allowed 'General case' 0 C--N 1.36 1.044 0 N-CA-C 107.173 -1.418 . . . . 16.87 107.173 179.875 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -156.22 142.41 18.26 Favored 'General case' 0 C--N 1.364 1.198 0 N-CA-C 104.518 -2.401 . . . . 17.01 104.518 176.78 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.11 -139.21 2.7 Favored Glycine 0 C--N 1.356 1.665 0 N-CA-C 107.205 -2.358 . . . . 15.79 107.205 179.73 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -148.08 79.51 9.11 Favored Pre-proline 0 C--N 1.358 0.97 0 N-CA-C 107.508 -1.293 . . . . 16.2 107.508 179.593 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -90.21 82.58 0.49 Allowed 'Trans proline' 0 C--N 1.366 1.449 0 C-N-CA 123.094 2.529 . . . . 14.32 110.027 178.433 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -105.52 150.44 25.34 Favored 'General case' 0 C--N 1.362 1.124 0 C-N-CA 126.648 1.979 . . . . 15.54 109.722 -178.899 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -106.76 57.41 0.64 Allowed 'General case' 0 C--N 1.363 1.154 0 C-N-CA 126.461 1.904 . . . . 17.23 107.388 -178.654 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -124.03 -7.11 7.77 Favored 'General case' 0 C--N 1.362 1.121 0 C-N-CA 126.73 2.012 . . . . 14.38 107.83 -179.178 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.1 ptp85 -99.38 -28.93 13.05 Favored 'General case' 0 C--N 1.366 1.298 0 C-N-CA 127.333 2.253 . . . . 13.85 108.987 175.157 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . 2.422 41.5 mttp 152.36 -103.26 0.0 OUTLIER 'General case' 0 C--N 1.36 1.027 0 N-CA-C 105.659 -1.978 . . . . 13.21 105.659 172.835 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . 0.271 16.7 ptm180 40.91 82.51 0.02 OUTLIER 'General case' 0 C--N 1.371 1.511 0 C-N-CA 131.605 3.962 . . . . 10.61 119.389 174.355 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 48.5 mmm-85 -104.96 173.4 6.32 Favored 'General case' 0 C--N 1.368 1.371 0 C-N-CA 131.141 3.777 . . . . 8.2 107.907 6.954 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.6 m -140.66 138.86 35.42 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.999 0 C-N-CA 128.075 2.55 . . . . 4.36 104.853 -169.629 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -133.88 136.76 44.54 Favored 'General case' 0 N--CA 1.44 -0.971 0 N-CA-C 106.308 -1.738 . . . . 5.24 106.308 -177.352 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 59.1 m-85 -106.24 96.14 6.26 Favored 'General case' 0 N--CA 1.433 -1.277 0 C-N-CA 128.17 2.588 . . . . 1.53 107.054 168.817 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.9 m -116.39 -166.76 1.18 Allowed 'General case' 0 C--N 1.349 0.557 0 C-N-CA 127.619 2.367 . . . . 1.31 107.763 177.878 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.9 pptp? -75.66 -11.65 60.05 Favored 'General case' 0 C--N 1.368 1.391 0 C-N-CA 127.319 2.248 . . . . 3.73 116.046 -170.82 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -79.53 -37.09 37.38 Favored 'General case' 0 C--N 1.367 1.342 0 C-N-CA 126.863 2.065 . . . . 1.13 112.575 172.54 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 45.9 mm-40 -75.56 -43.57 47.85 Favored 'General case' 0 C--N 1.368 1.395 0 C-N-CA 128.548 2.739 . . . . 0.86 111.405 -174.516 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 61.0 p -73.31 -32.97 64.92 Favored 'General case' 0 C--N 1.366 1.319 0 C-N-CA 126.785 2.034 . . . . 1.12 112.463 179.799 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -64.17 -50.36 68.46 Favored 'General case' 0 C--N 1.369 1.421 0 C-N-CA 127.798 2.439 . . . . 1.22 112.976 177.115 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -73.64 -35.6 65.31 Favored 'General case' 0 C--N 1.359 0.99 0 N-CA-C 115.394 1.628 . . . . 1.06 115.394 -177.259 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 90.8 mt -70.43 -42.55 71.41 Favored 'General case' 0 C--N 1.363 1.186 0 C-N-CA 126.189 1.795 . . . . 1.05 114.667 178.509 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -68.47 -33.52 74.31 Favored 'General case' 0 C--N 1.363 1.167 0 C-N-CA 126.872 2.069 . . . . 1.66 115.299 171.974 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.5 ptm180 -78.55 -27.03 45.79 Favored 'General case' 0 C--N 1.366 1.323 0 N-CA-C 115.896 1.813 . . . . 2.54 115.896 -177.544 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.269 1.6 mmm180 -78.07 -31.08 50.01 Favored 'General case' 0 C--N 1.369 1.442 0 C-N-CA 123.734 0.814 . . . . 1.89 112.016 164.029 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -70.65 -25.44 63.01 Favored 'General case' 0 C--N 1.371 1.534 0 C-N-CA 126.932 2.093 . . . . 0.83 114.52 -178.578 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 37.3 mmt-85 -79.31 -37.98 36.39 Favored 'General case' 0 C--N 1.366 1.326 0 C-N-CA 125.599 1.56 . . . . 4.57 113.3 178.899 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 62.3 tp60 -91.14 -25.08 19.76 Favored 'General case' 0 C--N 1.364 1.225 0 C-N-CA 127.983 2.513 . . . . 2.53 112.632 -175.116 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -159.66 154.12 23.99 Favored 'General case' 0 C--N 1.364 1.213 0 N-CA-C 107.297 -1.371 . . . . 2.04 107.297 -172.502 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 77.9 mtt85 -105.17 -35.69 7.51 Favored 'General case' 0 C--N 1.36 1.026 0 C-N-CA 125.163 1.385 . . . . 4.25 109.734 -179.634 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 -116.83 137.77 51.97 Favored 'General case' 0 C--N 1.358 0.977 0 C-N-CA 126.301 1.84 . . . . 5.9 109.034 -178.222 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -148.26 116.2 6.41 Favored 'General case' 0 CA--C 1.5 -0.975 0 C-N-CA 128.843 2.857 . . . . 1.23 103.96 -174.459 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . 2.311 15.1 t -96.7 177.18 5.73 Favored 'General case' 0 C--N 1.375 1.701 0 C-N-CA 127.358 2.263 . . . . 2.04 107.259 -170.127 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . 2.281 . . -9.73 -76.32 0.0 OUTLIER Pre-proline 0 C--N 1.361 1.101 2 C-N-CA 133.015 4.526 . . . . 1.23 122.558 -178.761 . . . . . . . . 3 2 . 1 . 029 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -74.29 -40.34 1.24 Allowed 'Trans proline' 0 C--N 1.363 1.338 1 C-N-CA 125.603 4.202 . . . . 1.03 111.615 -160.646 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -81.16 -25.03 37.15 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 128.37 2.668 . . . . 1.7 114.94 174.272 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.36 -37.09 26.14 Favored 'General case' 0 C--N 1.38 1.935 0 CA-C-N 121.179 1.809 . . . . 3.04 112.26 -172.952 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -85.13 -19.12 32.3 Favored 'General case' 0 C--N 1.368 1.383 0 C-N-CA 127.575 2.35 . . . . 1.74 111.732 -178.673 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 57.4 t-80 -81.58 -23.35 37.16 Favored 'General case' 0 C--N 1.368 1.37 0 C-N-CA 127.625 2.37 . . . . 2.01 112.252 175.033 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -69.48 -42.28 75.02 Favored 'General case' 0 C--N 1.368 1.41 0 C-N-CA 127.836 2.455 . . . . 1.19 111.722 167.89 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.99 -32.16 71.52 Favored 'General case' 0 C--N 1.363 1.191 0 C-N-CA 127.815 2.446 . . . . 1.07 115.789 173.599 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 66.4 m -83.95 -33.33 24.68 Favored 'General case' 0 C--N 1.361 1.076 0 C-N-CA 125.127 1.371 . . . . 1.03 113.976 -177.251 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 69.1 mt -84.21 -24.77 29.91 Favored 'General case' 0 C--N 1.359 1.003 0 C-N-CA 125.539 1.536 . . . . 2.35 113.419 177.348 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.6 pt -95.2 -22.11 5.45 Favored 'Isoleucine or valine' 0 C--N 1.37 1.493 0 CA-C-N 119.116 0.871 . . . . 1.07 112.276 176.392 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 85.47 63.55 0.01 OUTLIER 'General case' 0 C--N 1.373 1.599 0 C-N-CA 129.475 3.11 . . . . 3.61 111.697 172.132 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 87.5 mt -139.19 -174.55 3.89 Favored 'General case' 0 C--N 1.361 1.075 0 N-CA-C 107.124 -1.436 . . . . 1.12 107.124 170.9 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 81.6 p -95.82 148.51 34.67 Favored Pre-proline 0 C--N 1.368 1.398 0 C-N-CA 126.29 1.836 . . . . 1.36 109.216 -179.04 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_exo -60.71 -20.95 67.86 Favored 'Trans proline' 0 C--N 1.367 1.537 1 C-N-CA 126.139 4.559 . . . . 1.0 116.471 171.911 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.6 t -87.05 -28.61 22.48 Favored 'General case' 0 C--N 1.367 1.329 0 C-N-CA 126.256 1.822 . . . . 1.13 111.387 -177.395 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -83.84 -29.82 26.98 Favored 'General case' 0 C--N 1.373 1.612 0 CA-C-N 119.446 1.021 . . . . 1.04 112.916 177.484 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.1 p -68.61 -40.99 82.59 Favored 'Isoleucine or valine' 0 C--N 1.38 1.902 0 C-N-CA 124.962 1.305 . . . . 1.07 111.737 170.883 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . 0.3 0.0 OUTLIER -65.33 -34.61 78.74 Favored 'General case' 0 C--N 1.37 1.472 0 N-CA-C 116.976 2.213 . . . . 1.54 116.976 171.243 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.278 0.3 OUTLIER -77.28 -15.49 14.47 Favored 'Isoleucine or valine' 0 C--N 1.384 2.091 0 CA-C-N 121.591 1.996 . . . . 1.32 114.016 170.087 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 39.8 t90 -73.38 -41.34 63.48 Favored 'General case' 0 C--N 1.381 1.941 0 C-N-CA 125.569 1.548 . . . . 0.28 112.415 175.4 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -83.51 -12.51 56.15 Favored 'General case' 0 C--N 1.369 1.414 0 C-N-CA 126.028 1.731 . . . . 0.46 112.689 179.19 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -72.79 -44.04 62.02 Favored 'General case' 0 C--N 1.366 1.306 0 C-N-CA 127.01 2.124 . . . . 1.34 112.603 164.975 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 45.2 m-20 -92.37 -13.78 29.64 Favored 'General case' 0 C--N 1.366 1.322 0 N-CA-C 116.514 2.042 . . . . 0.56 116.514 -164.566 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.544 ' CE1' HG22 ' A' ' 64' ' ' THR . 3.7 t-80 -71.33 -68.48 0.44 Allowed 'General case' 0 C--N 1.365 1.263 0 CA-C-N 120.583 1.538 . . . . 2.39 112.761 166.453 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . 0.351 0.0 OUTLIER -27.86 40.36 0.0 OUTLIER 'General case' 0 C--N 1.367 1.347 1 C-N-CA 136.894 6.078 . . . . 3.79 119.822 -144.076 . . . . . . . . 4 3 . 1 . 029 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -130.32 -120.67 0.22 Allowed 'General case' 0 C--N 1.364 1.196 0 C-N-CA 127.843 2.457 . . . . 6.38 105.772 -178.947 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . 2.268 0.0 OUTLIER -90.11 -40.75 12.06 Favored 'General case' 0 CA--C 1.5 -0.954 0 C-N-CA 130.771 3.629 . . . . 5.9 113.689 -162.81 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.544 HG22 ' CE1' ' A' ' 60' ' ' HIS . 0.7 OUTLIER -44.59 -19.12 0.02 OUTLIER 'General case' 0 C--N 1.368 1.379 0 N-CA-C 121.282 3.808 . . . . 3.68 121.282 -119.447 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . 2.311 0.0 OUTLIER -29.79 -51.94 0.13 Allowed 'General case' 0 C--N 1.372 1.584 1 C-N-CA 134.752 5.221 . . . . 8.17 119.194 -176.094 . . . . . . . . 4 3 . 1 . 029 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 79.8 ttt-85 -108.57 149.87 28.27 Favored 'General case' 0 C--N 1.362 1.123 0 C-N-CA 126.461 1.904 . . . . 11.25 107.371 177.538 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -95.5 108.95 21.22 Favored 'General case' 0 C--N 1.363 1.179 0 C-N-CA 126.837 2.055 . . . . 9.1 108.629 179.395 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -100.59 91.48 4.68 Favored 'General case' 0 C--N 1.362 1.133 0 C-N-CA 125.654 1.582 . . . . 9.58 109.181 -175.07 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 32.9 t30 -154.1 66.2 0.72 Allowed 'General case' 0 N--CA 1.442 -0.871 0 N-CA-C 105.008 -2.219 . . . . 12.3 105.008 -178.138 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . 0.281 5.6 mp0 -75.67 82.13 2.66 Favored 'General case' 0 C--N 1.368 1.406 0 CA-C-O 123.23 1.49 . . . . 12.57 114.948 173.251 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 32.5 mmmt -167.0 8.92 0.03 OUTLIER 'General case' 0 CA--C 1.496 -1.129 0 CA-C-N 111.005 -2.816 . . . . 16.33 114.023 -163.069 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 96.6 55.47 1.24 Allowed Glycine 0 N--CA 1.466 0.656 0 C-N-CA 126.439 1.971 . . . . 15.41 112.52 -179.204 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . 0.305 11.3 p90 -73.78 -62.05 1.63 Allowed 'General case' 0 C--N 1.363 1.177 0 C-N-CA 127.777 2.431 . . . . 13.81 114.11 179.04 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -99.45 46.62 0.97 Allowed 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 129.289 3.036 . . . . 14.6 111.355 172.394 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 178.63 -153.46 12.73 Favored Glycine 0 C--N 1.355 1.587 0 N-CA-C 106.994 -2.443 . . . . 15.93 106.994 179.938 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 21.8 p80 -108.21 147.81 36.32 Favored Pre-proline 0 C--N 1.361 1.088 0 C-N-CA 126.107 1.763 . . . . 18.34 108.232 179.805 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 70.8 Cg_exo . . . . . 0 C--O 1.261 1.652 0 C-N-CA 123.681 2.921 . . . . 17.68 111.218 172.706 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.321 0 N-CA-C 110.304 -0.258 . . . . 17.23 110.304 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.2 m -137.23 27.15 2.88 Favored 'General case' 0 C--N 1.361 1.087 0 C-N-CA 125.529 1.532 . . . . 16.87 107.101 179.738 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -128.46 99.95 5.59 Favored 'General case' 0 C--N 1.368 1.391 0 N-CA-C 106.221 -1.77 . . . . 17.01 106.221 -179.611 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.97 -157.05 7.06 Favored Glycine 0 C--N 1.359 1.837 0 N-CA-C 107.149 -2.381 . . . . 15.79 107.149 178.241 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.9 mp -132.83 81.13 59.19 Favored Pre-proline 0 C--N 1.361 1.102 0 C-N-CA 124.9 1.28 . . . . 16.2 108.924 178.842 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_endo -89.06 82.13 0.7 Allowed 'Trans proline' 0 C--N 1.364 1.345 0 C-N-CA 123.66 2.907 . . . . 14.32 109.143 167.242 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 56.5 t30 -154.63 -113.73 0.03 OUTLIER 'General case' 0 C--N 1.359 1.002 0 N-CA-C 104.228 -2.508 . . . . 15.54 104.228 -175.57 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -118.14 156.99 27.74 Favored 'General case' 0 C--N 1.362 1.126 0 C-N-CA 125.987 1.715 . . . . 17.23 107.011 178.741 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 59.2 tptt -133.5 -32.56 1.14 Allowed 'General case' 0 C--N 1.356 0.869 0 N-CA-C 105.16 -2.163 . . . . 14.38 105.16 174.242 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.93 161.72 35.92 Favored 'General case' 0 C--N 1.358 0.969 0 N-CA-C 104.844 -2.28 . . . . 13.85 104.844 177.571 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -124.84 135.56 53.02 Favored 'General case' 0 C--N 1.36 1.036 0 N-CA-C 106.652 -1.61 . . . . 13.21 106.652 177.995 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.5 ' HA ' ' HA ' ' A' ' 13' ' ' ARG 2.206 44.8 mtm105 -44.07 -119.42 0.0 OUTLIER 'General case' 0 C--N 1.363 1.195 1 C-N-CA 132.918 4.487 . . . . 10.61 120.922 -173.543 . . . . . . . . 4 3 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.5 ' HA ' ' HA ' ' A' ' 12' ' ' ARG . 22.9 mmm180 -100.65 179.45 4.42 Favored 'General case' 0 C--N 1.374 1.669 0 C-N-CA 130.429 3.492 . . . . 8.2 107.973 4.164 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 2.027 4.9 m -66.82 -84.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.364 1.217 0 C-N-CA 129.461 3.104 . . . . 4.36 115.656 -154.661 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -56.72 137.48 54.27 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 130.838 3.655 . . . . 5.24 115.74 -168.521 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 13.6 m-30 -95.79 146.85 24.21 Favored 'General case' 0 C--N 1.361 1.084 0 C-N-CA 127.727 2.411 . . . . 1.53 112.053 -161.096 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 36.3 m -116.46 -168.93 1.53 Allowed 'General case' 0 C--N 1.365 1.278 0 C-N-CA 127.247 2.219 . . . . 1.31 107.371 173.721 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 36.3 mttp -85.05 19.99 2.01 Favored 'General case' 0 C--N 1.37 1.46 0 C-N-CA 127.12 2.168 . . . . 3.73 114.692 -169.662 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.33 -49.48 8.11 Favored 'General case' 0 C--N 1.36 1.033 0 C-N-CA 126.65 1.98 . . . . 1.13 112.157 154.455 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 40.1 mm-40 -78.59 -48.8 14.45 Favored 'General case' 0 C--N 1.368 1.372 0 C-N-CA 128.671 2.788 . . . . 0.86 112.43 -166.704 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 70.3 p -70.75 -30.23 66.68 Favored 'General case' 0 C--N 1.369 1.436 0 C-N-CA 127.863 2.465 . . . . 1.12 112.358 179.57 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 51.8 t80 -67.07 -49.8 63.85 Favored 'General case' 0 C--N 1.365 1.263 0 C-N-CA 129.146 2.978 . . . . 1.22 112.882 179.121 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -72.52 -37.1 68.44 Favored 'General case' 0 C--N 1.361 1.078 0 C-N-CA 126.216 1.807 . . . . 1.06 115.501 -178.846 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 94.4 mt -69.5 -41.7 75.72 Favored 'General case' 0 C--N 1.363 1.165 0 C-N-CA 125.881 1.672 . . . . 1.05 114.807 177.769 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -71.0 -32.82 69.73 Favored 'General case' 0 C--N 1.364 1.22 0 C-N-CA 126.201 1.8 . . . . 1.66 114.862 175.136 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.2 ptp180 -74.26 -40.61 62.23 Favored 'General case' 0 C--N 1.375 1.715 0 N-CA-C 114.727 1.38 . . . . 2.54 114.727 179.216 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.613 3.1 ptm180 -86.43 2.67 46.88 Favored 'General case' 0 C--N 1.367 1.34 0 N-CA-C 116.215 1.931 . . . . 1.89 116.215 176.883 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 27.8 t80 -78.35 -42.39 30.63 Favored 'General case' 0 C--N 1.381 1.957 0 C-N-CA 126.587 1.955 . . . . 0.83 112.888 152.349 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.75 -29.33 62.16 Favored 'General case' 0 C--N 1.368 1.394 0 C-N-CA 126.878 2.071 . . . . 4.57 113.094 -176.421 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 62.9 tp60 -87.84 -27.53 22.19 Favored 'General case' 0 C--N 1.367 1.349 0 C-N-CA 127.622 2.369 . . . . 2.53 112.182 -179.824 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -169.74 163.76 9.92 Favored 'General case' 0 C--N 1.369 1.432 0 CA-C-O 122.19 0.995 . . . . 2.04 109.416 178.634 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.579 HH12 ' HE ' ' A' ' 61' ' ' ARG . 5.4 mtp-105 -105.42 -38.79 6.36 Favored 'General case' 0 C--N 1.355 0.823 0 C-N-CA 127.241 2.216 . . . . 4.25 113.512 -177.142 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 51.9 p90 -77.83 -24.06 48.8 Favored 'General case' 0 C--N 1.365 1.264 0 N-CA-C 116.754 2.131 . . . . 5.9 116.754 -150.432 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.45 HD12 ' HB2' ' A' ' 39' ' ' ARG 0.263 0.5 OUTLIER -33.22 106.57 0.04 OUTLIER 'General case' 0 N--CA 1.487 1.423 1 C-N-CA 132.899 4.48 . . . . 1.23 116.891 -164.398 . . . . . . . . 5 4 . 1 . 030 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 14.4 m -110.55 171.2 7.6 Favored 'General case' 0 C--N 1.355 0.843 0 C-N-CA 129.776 3.23 . . . . 2.04 106.03 -173.985 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -39.09 -37.76 0.61 Allowed Pre-proline 0 C--N 1.368 1.396 1 N-CA-C 122.122 4.119 . . . . 1.23 122.122 -164.995 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo -65.62 -33.56 44.86 Favored 'Trans proline' 0 C--N 1.358 1.032 0 C-N-CA 124.403 3.402 . . . . 1.03 115.502 175.619 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -103.81 -24.69 13.29 Favored 'General case' 0 C--N 1.362 1.129 0 C-N-CA 126.393 1.877 . . . . 1.7 114.865 177.646 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.45 ' HB2' HD12 ' A' ' 34' ' ' LEU . 0.7 OUTLIER -82.22 -35.27 28.41 Favored 'General case' 0 C--N 1.374 1.661 0 C-N-CA 126.226 1.811 . . . . 3.04 111.153 -176.75 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -83.0 -20.49 35.01 Favored 'General case' 0 C--N 1.373 1.602 0 C-N-CA 126.222 1.809 . . . . 1.74 112.293 179.032 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 23.1 t60 -78.44 -28.31 46.67 Favored 'General case' 0 C--N 1.367 1.338 0 C-N-CA 128.155 2.582 . . . . 2.01 111.187 175.722 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -71.95 -38.72 69.73 Favored 'General case' 0 C--N 1.37 1.492 0 C-N-CA 127.802 2.441 . . . . 1.19 112.73 170.902 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -74.7 -28.72 60.94 Favored 'General case' 0 C--N 1.361 1.104 0 C-N-CA 127.392 2.277 . . . . 1.07 113.877 -179.387 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 59.2 m -85.18 -29.34 24.81 Favored 'General case' 0 C--N 1.361 1.078 0 C-N-CA 126.122 1.769 . . . . 1.03 113.53 175.08 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -75.11 -36.82 61.64 Favored 'General case' 0 C--N 1.364 1.23 0 C-N-CA 127.183 2.193 . . . . 2.35 112.515 177.222 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.5 pt -103.14 -19.27 6.24 Favored 'Isoleucine or valine' 0 C--N 1.366 1.294 0 C-N-CA 124.277 1.031 . . . . 1.07 112.355 -173.922 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 13.2 tpp85 83.24 66.93 0.02 OUTLIER 'General case' 0 C--N 1.372 1.562 0 C-N-CA 128.995 2.918 . . . . 3.61 113.313 174.102 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 86.5 mt -141.55 -170.35 3.08 Favored 'General case' 0 C--N 1.359 1.014 0 N-CA-C 107.095 -1.446 . . . . 1.12 107.095 173.746 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.428 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 18.8 p -109.71 158.49 34.66 Favored Pre-proline 0 C--N 1.367 1.352 0 C-N-CA 126.275 1.83 . . . . 1.36 110.538 -175.649 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 49' ' ' THR . 88.7 Cg_exo -67.04 -25.26 44.27 Favored 'Trans proline' 0 C--N 1.373 1.86 1 C-N-CA 125.866 4.377 . . . . 1.0 115.765 -174.78 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 12.4 t -87.3 -26.92 23.19 Favored 'General case' 0 C--N 1.365 1.253 0 C-N-CA 127.035 2.134 . . . . 1.13 111.132 -173.896 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -84.6 -33.79 23.29 Favored 'General case' 0 C--N 1.371 1.51 0 C-N-CA 124.239 1.016 . . . . 1.04 112.442 178.697 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.1 p -67.55 -36.89 77.65 Favored 'Isoleucine or valine' 0 C--N 1.381 1.944 0 C-N-CA 124.432 1.093 . . . . 1.07 113.013 168.627 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.9 -56.96 9.79 Favored 'General case' 0 C--N 1.37 1.499 0 C-N-CA 128.606 2.762 . . . . 1.54 115.162 168.849 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.271 7.2 mt -84.22 -8.36 11.21 Favored 'Isoleucine or valine' 0 C--N 1.367 1.366 0 N-CA-C 115.009 1.485 . . . . 1.32 115.009 -176.448 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 57.1 t90 -75.45 -43.42 49.64 Favored 'General case' 0 C--N 1.378 1.827 0 C-N-CA 124.747 1.219 . . . . 0.28 110.864 167.775 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -82.24 -12.89 57.8 Favored 'General case' 0 C--N 1.368 1.389 0 C-N-CA 126.593 1.957 . . . . 0.46 113.038 -179.261 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -77.67 -42.84 33.22 Favored 'General case' 0 C--N 1.363 1.185 0 C-N-CA 127.532 2.333 . . . . 1.34 111.911 172.425 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 69.6 m-20 -87.69 -20.1 26.74 Favored 'General case' 0 C--N 1.366 1.298 0 C-N-CA 126.458 1.903 . . . . 0.56 113.027 -175.868 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 5.9 m80 -87.14 -15.24 38.98 Favored 'General case' 0 C--N 1.365 1.254 0 C-N-CA 125.917 1.687 . . . . 2.39 114.338 178.895 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.579 ' HE ' HH12 ' A' ' 32' ' ' ARG . 8.5 ptm180 -89.25 51.79 2.22 Favored 'General case' 0 C--N 1.366 1.312 0 C-N-CA 126.049 1.74 . . . . 3.79 111.328 156.114 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER 169.47 110.02 0.01 OUTLIER 'General case' 0 CA--C 1.495 -1.163 0 N-CA-C 101.758 -3.423 . . . . 6.38 101.758 54.615 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -127.17 82.06 2.06 Favored 'General case' 0 N--CA 1.443 -0.781 0 N-CA-C 105.752 -1.944 . . . . 5.9 105.752 102.087 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 14.6 m -45.84 -29.92 1.52 Allowed 'General case' 0 C--N 1.365 1.281 1 C-N-CA 135.589 5.556 . . . . 3.68 119.089 -173.905 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.19 -123.33 0.07 Allowed 'General case' 0 C--N 1.371 1.511 0 C-N-CA 126.748 2.019 . . . . 8.17 110.108 170.085 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 86.5 mmt-85 -145.03 81.05 1.63 Allowed 'General case' 0 C--N 1.355 0.841 0 N-CA-C 102.677 -3.083 . . . . 11.25 102.677 178.738 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . 2.336 . . -73.72 -145.77 0.02 OUTLIER 'General case' 0 C--N 1.363 1.157 0 C-N-CA 128.609 2.764 . . . . 9.1 117.442 -166.563 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -102.16 139.56 37.61 Favored 'General case' 0 C--N 1.371 1.542 0 C-N-CA 131.018 3.727 . . . . 9.58 110.436 9.525 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 38.8 t30 -160.5 85.7 0.72 Allowed 'General case' 0 N--CA 1.436 -1.141 0 N-CA-C 104.533 -2.395 . . . . 12.3 104.533 -178.318 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . 2.22 0.0 OUTLIER -49.61 -114.53 0.0 OUTLIER 'General case' 0 C--N 1.356 0.878 0 C-N-CA 129.93 3.292 . . . . 12.57 117.173 153.712 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . 2.264 97.1 mttt -50.06 -118.32 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.62 0 C-N-CA 130.081 3.352 . . . . 16.33 117.341 175.257 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -132.32 42.32 1.4 Allowed Glycine 0 C--N 1.358 1.799 0 N-CA-C 110.428 -1.069 . . . . 15.41 110.428 -176.589 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 50.5 m-85 -88.56 -20.95 24.37 Favored 'General case' 0 C--N 1.366 1.323 0 N-CA-C 117.889 2.552 . . . . 13.81 117.889 -166.353 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -108.26 64.9 0.62 Allowed 'General case' 0 N--CA 1.443 -0.789 0 C-N-CA 128.169 2.588 . . . . 14.6 107.813 176.887 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -172.23 144.25 7.89 Favored Glycine 0 C--N 1.355 1.619 0 N-CA-C 106.347 -2.701 . . . . 15.93 106.347 -178.735 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 53.9 t-80 -96.63 -42.61 0.26 Allowed Pre-proline 0 C--N 1.362 1.135 0 CA-C-O 116.085 -1.912 . . . . 18.34 112.814 -177.077 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo . . . . . 0 C--O 1.261 1.63 0 CA-C-N 125.102 2.858 . . . . 17.68 111.117 175.139 . . . . . . . . 0 0 . 1 stop_ save_