data_2n11_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 2n11 _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.57 ' CD ' ' H1 ' ' A' ' 6' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.747 0.308 . . . . 0.0 110.496 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.493 ' N ' ' OE1' ' A' ' 6' ' ' GLN . 10.5 mm-40 -42.95 -60.33 1.66 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.374 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 29.9 tp60 -46.67 -36.12 6.73 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.61 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.43 -67.02 0.51 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.878 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.1 p -57.07 -28.99 30.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.698 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 55.6 mt -69.68 -67.16 0.5 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.601 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -57.71 -33.21 68.17 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.582 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 52.3 tp60 -66.51 -46.97 74.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.405 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -63.51 -60.05 3.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.398 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.8 mmp_? -48.82 -50.83 32.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.379 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 69.9 ttt-85 -58.14 -53.35 59.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.424 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -44.75 -52.29 8.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.599 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 20.5 mmt180 -59.98 -53.07 62.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.562 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -45.4 -65.47 0.53 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.548 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.45 ' N ' ' CD1' ' A' ' 20' ' ' LEU . 9.0 mp -51.86 -63.06 1.26 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.42 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -41.77 -41.27 2.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.699 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.4 tp -67.75 -41.01 84.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.53 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.406 ' N ' ' O ' ' A' ' 20' ' ' LEU . 68.6 mtp180 -62.48 -46.04 90.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.48 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 31.3 mt -64.81 -41.94 93.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.435 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.9 -46.34 75.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.539 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 77.2 mm-40 -69.98 -35.02 74.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.354 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 58.8 m -71.49 -57.43 4.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.586 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -58.9 -37.44 76.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.236 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.32 -38.79 78.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.214 179.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -79.05 -25.08 43.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.419 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.413 ' O ' ' OD1' ' A' ' 34' ' ' ASP . 3.9 tp . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.663 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 18.7 m . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.773 0.321 . . . . 0.0 110.446 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.413 ' OD1' ' O ' ' A' ' 31' ' ' LEU . 1.5 m-20 -71.82 -18.97 62.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.62 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.477 ' CD ' ' N ' ' A' ' 36' ' ' ALA . 2.2 pp20? -61.66 -38.57 88.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.569 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.477 ' N ' ' CD ' ' A' ' 35' ' ' GLU . . . -64.18 -50.57 67.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.479 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 77.9 mm-40 -56.61 -49.05 76.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.418 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.07 -48.68 75.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.441 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -58.32 -70.33 0.15 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.543 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 27.4 mt -44.82 -36.17 3.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.644 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.45 -37.41 82.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.605 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.5 mt -69.36 -43.51 73.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.575 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 40.1 mtp180 -73.78 -27.26 61.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.511 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 39.3 ttt-85 -78.31 -28.6 47.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.335 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 91.6 p -79.88 62.09 4.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.556 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.476 ' C ' ' H ' ' A' ' 48' ' ' SER . 5.7 tp -49.15 -28.56 4.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.608 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -75.82 21.56 0.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.607 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.476 ' H ' ' C ' ' A' ' 46' ' ' LEU . 14.9 t . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.617 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.469 ' O ' ' N ' ' A' ' 65' ' ' GLN . 1.6 p . . . . . 0 CA--C 1.529 0.173 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_exo -37.77 -39.34 0.79 Allowed 'Trans proline' 0 C--N 1.31 -1.483 0 C-N-CA 122.551 2.167 . . . . 0.0 112.084 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -64.5 -39.78 94.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.557 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.469 ' N ' ' O ' ' A' ' 62' ' ' THR . 26.5 mt-30 -64.94 -64.98 0.73 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.56 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 10.1 ptm -53.07 -35.06 59.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.558 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.8 -40.41 83.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.475 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 33.3 tptt -71.3 -34.89 71.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.489 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -67.7 -58.45 4.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.554 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.486 ' CG ' ' N ' ' A' ' 71' ' ' SER . 15.5 ptm -60.42 -45.45 93.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.415 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.486 ' N ' ' CG ' ' A' ' 70' ' ' MET . 39.9 t -57.54 -45.68 84.8 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.503 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 50.0 tt0 -71.17 -33.4 69.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.55 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 39.4 t80 -67.83 -64.84 0.78 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.512 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 28.0 mt . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.424 179.902 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.807 0.336 . . . . 0.0 110.48 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -48.35 -60.14 2.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.43 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -49.23 -34.4 14.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.554 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.84 -65.96 0.61 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.65 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 5.1 p -60.09 -45.55 95.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.636 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 75.3 mt -53.18 -57.94 8.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.336 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 54.4 mm-40 -60.58 -37.16 80.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.535 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 46.6 tp60 -62.06 -41.05 97.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.503 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -68.42 -55.92 10.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.567 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 25.1 mmt180 -49.82 -50.84 43.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.568 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 30.3 ttm180 -64.47 -62.33 1.66 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.716 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -40.26 -46.91 2.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.798 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.1 mmp_? -63.88 -55.36 23.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.677 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.0 mm-40 -45.52 -59.84 2.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.532 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.46 ' N ' ' CD1' ' A' ' 20' ' ' LEU . 9.5 mp -56.65 -66.02 0.51 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.427 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -40.8 -35.3 0.48 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.633 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.2 tp -68.39 -52.0 37.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.255 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 48.1 mtp85 -56.98 -58.5 7.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.134 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.421 ' O ' ' N ' ' A' ' 27' ' ' SER . 12.3 mt -49.5 -56.09 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.924 179.72 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -47.12 -44.38 21.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.279 179.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -68.87 -24.95 64.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.399 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.536 ' HG ' ' CD ' ' A' ' 37' ' ' GLN . 9.1 t -74.23 -55.94 5.47 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.087 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -60.26 -38.04 82.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.005 179.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.14 -48.89 71.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.515 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -75.91 -25.7 56.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.574 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' A' ' 27' ' ' SER . 4.9 tp . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.632 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 33.3 p . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.857 0.36 . . . . 0.0 110.768 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.415 ' OD2' ' O ' ' A' ' 31' ' ' LEU . 44.8 m-20 -62.88 -26.34 68.73 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.309 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.449 ' CG ' ' N ' ' A' ' 36' ' ' ALA . 11.4 pt-20 -60.91 -45.62 93.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.347 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.449 ' N ' ' CG ' ' A' ' 35' ' ' GLU . . . -58.44 -59.35 5.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.222 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.536 ' CD ' ' HG ' ' A' ' 27' ' ' SER . 7.8 mm100 -46.27 -54.7 8.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.248 179.768 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.38 -47.58 85.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.439 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.401 ' O ' ' N ' ' A' ' 43' ' ' ARG . 17.4 m-20 -54.67 -69.02 0.14 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.614 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.8 mp -43.84 -50.46 7.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.389 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.38 -41.86 81.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.458 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 13.1 mt -77.91 -15.07 59.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.29 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.431 ' C ' ' H ' ' A' ' 45' ' ' SER . 46.9 ttt85 -82.06 -50.37 9.16 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.535 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.545 ' O ' ' N ' ' A' ' 46' ' ' LEU . 7.4 ptt180 -64.84 -2.18 2.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.478 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.431 ' H ' ' C ' ' A' ' 43' ' ' ARG . 6.6 t -49.3 86.43 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.624 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.545 ' N ' ' O ' ' A' ' 44' ' ' ARG . 6.2 tp -78.74 -22.28 46.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.368 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 52.9 t0 -59.42 -1.73 0.25 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.609 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.515 ' H ' ' C ' ' A' ' 46' ' ' LEU . 11.4 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.642 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 7.2 p . . . . . 0 N--CA 1.463 0.182 0 N-CA-C 110.456 -0.201 . . . . 0.0 110.456 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_exo -38.99 -48.42 2.85 Favored 'Trans proline' 0 C--N 1.312 -1.381 0 C-N-CA 122.474 2.116 . . . . 0.0 112.131 179.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -55.66 -54.44 44.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.377 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -51.36 -54.03 30.44 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.349 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.496 ' O ' ' SD ' ' A' ' 70' ' ' MET . 67.6 mtp -52.26 -61.29 2.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.436 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -48.51 -56.81 7.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.53 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 12.8 tptm -55.55 -63.66 1.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.486 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -46.06 -57.32 4.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.581 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.591 ' SD ' ' N ' ' A' ' 70' ' ' MET . 0.0 OUTLIER -48.87 -47.41 42.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.418 179.9 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 16.5 t -59.16 -41.65 88.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.542 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 32.6 tp10 -67.59 -40.94 84.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.53 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -62.58 -57.18 12.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.483 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 41.0 mt . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.503 179.942 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 42.1 tt0 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.938 0.399 . . . . 0.0 110.377 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -45.01 -60.37 2.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.729 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -48.3 -37.17 15.72 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.836 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.45 -67.06 0.48 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.91 -179.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.2 p -56.59 -43.79 79.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.563 -179.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 84.4 mt -57.05 -67.56 0.31 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.386 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 58.8 mt-10 -46.2 -47.48 17.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.428 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.2 tm0? -58.23 -53.13 61.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.333 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 -55.05 -56.74 16.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.54 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 30.3 mtp180 -46.26 -51.14 15.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.382 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 65.0 ttt180 -55.19 -61.19 2.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.229 179.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -46.97 -47.03 21.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.308 179.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 53.0 mtp180 -61.2 -53.67 54.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.455 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 50.6 mm-40 -45.36 -56.89 4.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.49 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 11.0 mp -55.28 -62.94 1.34 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.318 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -49.96 -34.78 21.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.667 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.5 tp -69.91 -40.09 75.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.653 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 26.1 mtp180 -66.92 -46.18 75.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.504 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.441 ' O ' ' CG ' ' A' ' 28' ' ' GLU . 28.6 mt -71.03 -29.76 38.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.539 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.11 -51.56 13.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.743 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -68.12 -32.73 73.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.437 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 31' ' ' LEU . 45.7 t -73.98 -54.29 8.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.729 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.441 ' CG ' ' O ' ' A' ' 24' ' ' ILE . 1.3 pp20? -64.63 -28.45 69.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.562 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -77.18 -43.43 33.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.674 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -83.35 -25.36 31.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.535 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' A' ' 27' ' ' SER . 5.0 tp . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.82 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.1 m . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.779 0.323 . . . . 0.0 110.482 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -45.08 -25.04 0.29 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.425 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -58.85 -50.09 75.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.457 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.21 -60.68 3.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.538 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -47.32 -43.46 22.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.606 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.47 -44.86 89.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.687 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -57.73 -62.85 1.5 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.622 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.471 ' N ' ' CD1' ' A' ' 40' ' ' LEU . 8.8 mp -54.36 -41.33 69.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.597 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.33 -58.72 7.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.61 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 15.1 mt -61.77 -37.23 83.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.511 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 44.8 ttt85 -71.01 -31.76 68.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.504 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.408 ' N ' ' O ' ' A' ' 40' ' ' LEU . 14.5 ttp-105 -77.79 -38.08 47.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.357 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 46.6 m -88.87 98.64 11.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.662 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.53 ' N ' ' CD2' ' A' ' 46' ' ' LEU . 3.6 mm? -71.82 -34.69 69.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.285 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -79.61 21.55 0.51 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.569 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.427 ' H ' ' C ' ' A' ' 46' ' ' LEU . 46.1 t . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.68 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.539 ' OG1' ' NE2' ' A' ' 65' ' ' GLN . 3.6 p . . . . . 0 CA--C 1.53 0.204 0 N-CA-C 110.406 -0.22 . . . . 0.0 110.406 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.413 ' O ' ' CB ' ' A' ' 67' ' ' ALA . 82.5 Cg_exo -38.17 -46.85 2.27 Favored 'Trans proline' 0 C--N 1.311 -1.408 0 C-N-CA 122.671 2.247 . . . . 0.0 112.324 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 61.4 tt0 -54.07 -48.64 70.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.722 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.732 ' H ' HE21 ' A' ' 65' ' ' GLN . 0.3 OUTLIER -59.68 -65.96 0.59 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.53 -179.811 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 12.2 ptm -53.79 -39.26 65.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.636 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.413 ' CB ' ' O ' ' A' ' 63' ' ' PRO . . . -65.52 -59.72 3.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.473 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.8 mmmm -55.98 -55.24 35.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.582 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -49.56 -57.83 6.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.554 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 12.3 mmt -54.8 -58.17 8.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.586 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.5 t -48.2 -54.42 13.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.525 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -60.14 -45.67 92.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.736 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -60.67 -62.75 1.63 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.617 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 29.5 mt . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.665 -179.883 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.83 0.348 . . . . 0.0 110.618 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -43.45 -60.5 1.7 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.425 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -46.68 -36.27 6.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.686 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.34 -65.9 0.64 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.741 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.0 p -59.14 -30.18 43.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.662 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 42.9 mt -65.67 -60.03 3.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.366 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -58.98 -38.52 79.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.486 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 61.2 tp60 -62.62 -42.86 99.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.524 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 46.3 mm-40 -66.27 -49.52 66.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.532 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 67.0 mtp180 -53.63 -49.79 67.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.52 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 88.5 mtt180 -62.15 -61.14 2.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.606 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -40.88 -51.0 3.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.714 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 80.9 mtt180 -63.65 -51.15 66.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.532 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.5 mm-40 -55.76 -62.71 1.51 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.487 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.486 ' O ' ' N ' ' A' ' 23' ' ' ARG . 10.7 mp -51.1 -64.37 0.83 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.426 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -41.49 -42.52 2.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.548 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.1 tp -68.17 -35.93 78.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.392 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.486 ' N ' ' O ' ' A' ' 20' ' ' LEU . 37.3 mtp180 -72.77 -41.85 64.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.523 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.43 ' O ' ' CG ' ' A' ' 28' ' ' GLU . 54.8 mt -70.7 -30.3 41.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.676 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.87 -52.9 9.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.687 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -65.2 -33.26 75.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.454 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.432 ' OG ' ' OG ' ' A' ' 33' ' ' SER . 46.2 t -74.05 -58.71 3.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.617 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.43 ' CG ' ' O ' ' A' ' 24' ' ' ILE . 1.2 pp20? -59.71 -27.48 66.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.607 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -78.49 -44.04 25.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.604 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -80.84 -21.11 41.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.652 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.429 ' N ' ' O ' ' A' ' 27' ' ' SER . 4.9 mt . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.58 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.432 ' OG ' ' OG ' ' A' ' 27' ' ' SER . 89.5 p . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.786 0.327 . . . . 0.0 110.499 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -73.84 -28.24 61.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.594 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.4 ' CG ' ' N ' ' A' ' 36' ' ' ALA . 22.9 pt-20 -59.51 -41.37 89.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.545 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.4 ' N ' ' CG ' ' A' ' 35' ' ' GLU . . . -61.21 -54.31 45.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.507 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 17.6 mm-40 -54.11 -43.76 70.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.529 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.6 -44.4 97.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.57 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.486 ' O ' ' N ' ' A' ' 43' ' ' ARG . 4.1 m-20 -64.73 -50.7 65.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.618 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 22.5 mt -59.5 -31.91 69.79 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.312 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -73.0 -40.06 65.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.01 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.2 pp -89.04 -19.7 25.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.781 0.324 . . . . 0.0 110.627 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.486 ' N ' ' O ' ' A' ' 39' ' ' ASP . 44.0 ttm180 -81.6 -42.45 20.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.644 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 4.8 ppt_? -59.74 -13.09 8.67 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.592 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 13.6 t -81.28 121.6 26.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.559 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.517 ' C ' ' H ' ' A' ' 48' ' ' SER . 5.6 tp -82.42 -39.17 22.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.616 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.526 ' N ' ' OD1' ' A' ' 47' ' ' ASP . 18.5 p-10 -72.0 14.25 0.23 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.672 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.517 ' H ' ' C ' ' A' ' 46' ' ' LEU . 35.1 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.665 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.0 p . . . . . 0 CA--C 1.53 0.189 0 N-CA-C 110.328 -0.249 . . . . 0.0 110.328 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_exo -38.42 -40.51 1.29 Allowed 'Trans proline' 0 C--N 1.311 -1.434 0 C-N-CA 122.516 2.144 . . . . 0.0 112.23 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -62.94 -44.72 95.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.598 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -58.35 -67.12 0.38 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.546 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 15.0 ptm -51.55 -39.06 57.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.576 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.57 -57.68 11.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.532 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 48.1 tttp -58.03 -48.09 81.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.572 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -50.67 -50.81 53.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.514 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 12.7 mmt -60.01 -62.34 1.94 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.45 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.6 m -47.31 -30.05 2.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.534 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 67.6 tt0 -77.68 -41.86 36.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.611 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -72.0 -53.22 13.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.525 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 35.4 mt . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.531 179.992 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.777 0.322 . . . . 0.0 110.393 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 17.0 mm-40 -42.89 -60.3 1.65 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.466 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -46.54 -36.81 7.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.595 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.44 -65.28 0.72 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.944 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.9 p -59.28 -28.94 40.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.593 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 52.0 mt -69.28 -69.19 0.35 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.512 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -55.33 -31.11 61.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.488 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 15.8 tp60 -67.29 -47.64 70.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.387 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -63.82 -45.95 87.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.409 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 50.6 mtp180 -57.74 -51.76 68.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.392 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 86.3 mtt-85 -63.21 -59.51 4.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.448 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -41.07 -52.9 3.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.689 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 73.7 mtp180 -59.32 -51.38 70.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.559 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -57.46 -64.53 0.86 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.554 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.455 ' N ' ' CD1' ' A' ' 20' ' ' LEU . 8.9 mp -51.95 -61.03 2.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.501 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -44.42 -39.86 5.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.56 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.6 tt -70.98 -35.5 72.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.525 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 19.9 mtp180 -68.55 -43.98 75.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.493 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 39.4 mt -70.1 -38.21 74.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.508 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.95 -48.64 75.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.536 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 72.4 mm-40 -68.15 -36.69 80.08 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.386 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.409 ' O ' ' N ' ' A' ' 31' ' ' LEU . 70.6 m -70.66 -58.08 4.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.761 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -58.37 -35.47 72.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.309 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.88 -37.08 70.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.278 179.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -81.55 -25.16 36.08 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.576 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.409 ' N ' ' O ' ' A' ' 27' ' ' SER . 3.2 mt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.412 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 52.5 m . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.776 0.322 . . . . 0.0 110.578 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -68.14 -23.87 64.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.481 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -58.07 -42.09 84.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.532 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.56 -47.19 82.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.42 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 90.1 mm-40 -55.53 -51.54 66.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.532 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.74 -41.47 91.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.616 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -60.86 -66.71 0.49 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.662 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 32.1 mt -47.81 -40.33 20.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.512 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.45 -47.85 84.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.609 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 17.5 mt -67.17 -34.43 77.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.548 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 54.1 ttt180 -76.36 -34.98 58.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.569 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 20.1 ttp85 -80.82 -16.5 53.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.307 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.0 t -64.53 150.53 46.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.599 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.531 ' N ' ' CD2' ' A' ' 46' ' ' LEU . 3.6 mm? -68.19 -14.17 62.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.386 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -70.34 -26.86 63.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.632 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 90.2 p . . . . . 0 C--N 1.331 -0.213 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.562 179.966 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 25.6 p . . . . . 0 CA--C 1.529 0.159 0 N-CA-C 110.482 -0.192 . . . . 0.0 110.482 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_exo -39.1 -40.11 1.6 Allowed 'Trans proline' 0 C--N 1.31 -1.478 0 C-N-CA 122.566 2.177 . . . . 0.0 112.273 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 65.5 tt0 -63.9 -42.39 97.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.693 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -60.88 -67.8 0.37 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.611 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.581 ' SD ' ' N ' ' A' ' 67' ' ' ALA . 0.0 OUTLIER -53.05 -35.7 59.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.708 -179.812 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.581 ' N ' ' SD ' ' A' ' 66' ' ' MET . . . -59.93 -57.89 10.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.547 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 54.8 tttm -59.69 -51.42 69.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.568 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -47.96 -49.48 30.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.578 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 28.5 mmt -60.39 -57.63 11.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.524 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 39.0 m -53.98 -26.73 27.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.569 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 49.3 mm-40 -83.55 -37.21 23.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.519 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -75.98 -53.26 8.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.572 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 23.4 mt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.495 -179.949 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.796 0.331 . . . . 0.0 110.551 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -50.49 -60.03 3.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.526 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -48.99 -34.39 12.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.658 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.31 -66.69 0.52 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.783 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.9 p -59.54 -44.36 92.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.645 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 77.0 mt -54.87 -59.77 4.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.428 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -55.57 -46.09 77.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.508 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 38.7 tp60 -56.56 -43.81 80.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.494 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -65.13 -53.14 49.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.466 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 26.8 mmm-85 -50.8 -50.77 55.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.456 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 53.9 ttm-85 -61.69 -61.12 2.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.567 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -43.93 -45.51 7.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.477 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 17.1 mtp-105 -62.19 -53.01 61.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.505 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -49.43 -63.74 1.01 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.498 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.465 ' N ' ' CD1' ' A' ' 20' ' ' LEU . 9.1 mp -51.53 -64.03 0.94 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.379 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -42.06 -39.43 1.95 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.692 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.1 tp -66.78 -41.36 87.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.359 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.421 ' N ' ' O ' ' A' ' 20' ' ' LEU . 43.5 mtp85 -64.85 -44.02 91.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.365 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 45.7 mt -65.36 -38.06 81.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.458 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.74 -51.59 64.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.542 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 -64.75 -32.44 74.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.427 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 9.3 t -74.62 -59.65 2.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.695 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -59.16 -26.01 64.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.569 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -81.7 -40.35 22.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.586 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -78.15 -24.9 47.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.684 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.6 mt . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.355 -179.999 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.0 m . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.787 0.327 . . . . 0.0 110.539 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -45.61 -26.07 0.55 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.578 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -58.95 -36.94 75.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.563 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.9 -52.51 49.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.539 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 70.1 mm-40 -57.63 -50.56 72.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.575 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.35 -50.92 68.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.491 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -57.73 -59.0 5.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.583 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 17.4 mt -49.3 -43.36 43.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.517 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' A' ' 45' ' ' SER . . . -66.91 -53.61 30.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.561 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.7 mt -55.29 -33.06 62.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.59 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 60.1 ttt-85 -80.74 -40.29 25.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.506 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.437 ' O ' ' O ' ' A' ' 45' ' ' SER . 16.9 ttp85 -79.27 -15.66 57.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.326 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.479 ' N ' ' O ' ' A' ' 41' ' ' ALA . 60.2 m -54.05 -166.38 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.634 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.497 ' N ' ' CD2' ' A' ' 46' ' ' LEU . 3.8 mm? -57.24 -12.67 2.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.471 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -77.72 21.37 0.3 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.606 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.451 ' H ' ' C ' ' A' ' 46' ' ' LEU . 24.8 t . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.602 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.432 ' O ' ' N ' ' A' ' 65' ' ' GLN . 1.4 p . . . . . 0 CA--C 1.53 0.195 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -38.55 -37.22 0.7 Allowed 'Trans proline' 0 C--N 1.311 -1.41 0 C-N-CA 122.44 2.094 . . . . 0.0 112.206 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 60.1 tt0 -66.62 -40.43 88.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.571 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.432 ' N ' ' O ' ' A' ' 62' ' ' THR . 14.5 mm100 -56.26 -58.4 8.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.574 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 37.8 mtm -61.65 -53.78 51.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.611 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -49.74 -53.99 21.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.587 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 49.7 tttm -54.04 -51.82 62.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.549 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 88.4 mt-10 -55.35 -51.07 67.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.517 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 24.7 mtt -54.66 -63.31 1.19 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.574 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 31.4 m -52.99 -44.48 67.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.617 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.413 ' OE2' ' O ' ' A' ' 72' ' ' GLU . 5.0 tm-20 -60.52 -33.0 72.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.565 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -80.88 -53.43 6.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.543 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 34.6 mt . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.61 179.995 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.726 0.298 . . . . 0.0 110.615 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -49.2 -60.34 2.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.642 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -50.47 -34.45 24.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.658 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.03 -67.11 0.48 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.794 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.2 p -58.53 -43.27 86.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.815 -179.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 84.1 mt -57.26 -58.88 6.3 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.394 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 -53.7 -48.74 69.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.41 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 53.5 tp60 -51.81 -43.07 62.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.392 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -65.78 -47.56 74.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.567 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 60.0 mtt-85 -50.99 -55.89 15.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.435 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 64.5 mtp85 -61.08 -57.61 11.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.518 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -40.51 -47.37 2.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.689 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -68.04 -53.08 28.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.534 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -54.57 -58.78 6.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.627 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.413 ' N ' ' CD1' ' A' ' 20' ' ' LEU . 9.8 mp -56.44 -61.05 2.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.486 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -43.61 -38.51 3.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.613 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 17.7 tp -68.81 -44.02 74.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.309 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 33.9 mtp85 -59.54 -54.01 51.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.385 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 16.0 mt -58.46 -46.21 89.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.499 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.43 -58.34 7.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.893 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.37 -23.05 66.88 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.111 -179.446 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 18.8 t -67.79 -61.13 2.02 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.908 0.385 . . . . 0.0 110.056 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -60.7 -39.84 89.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.981 179.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.75 -38.24 87.24 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.71 -179.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -85.26 -19.19 31.98 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.8 mt . . . . . 0 C--N 1.328 -0.345 0 CA-C-O 121.025 0.441 . . . . 0.0 110.045 -179.715 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.528 0.124 0 CA-C-O 120.935 0.398 . . . . 0.0 111.466 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -45.96 -38.22 7.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.656 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -47.19 -51.43 18.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.629 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.11 -53.99 45.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.616 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 81.9 mm-40 -52.39 -43.29 64.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.589 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.47 -51.22 69.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.603 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -54.59 -59.76 4.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.581 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 32.6 mt -52.0 -41.25 62.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.554 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.95 -58.74 7.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.596 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 17.5 mt -52.18 -37.74 55.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.51 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 63.1 ttt180 -70.51 -48.13 57.1 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.575 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 31.3 ttm-85 -59.88 -16.18 27.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.733 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 11.8 t -71.46 124.97 25.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.7 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.502 ' C ' ' H ' ' A' ' 48' ' ' SER . 7.2 tp -67.36 -33.11 74.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.498 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -72.33 14.77 0.21 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.595 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.502 ' H ' ' C ' ' A' ' 46' ' ' LEU . 7.7 t . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.543 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 12.9 p . . . . . 0 CA--C 1.529 0.16 0 N-CA-C 110.431 -0.211 . . . . 0.0 110.431 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -38.84 -44.54 2.4 Favored 'Trans proline' 0 C--N 1.31 -1.496 0 C-N-CA 122.666 2.244 . . . . 0.0 112.292 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.515 ' OE2' ' NZ ' ' A' ' 68' ' ' LYS . 3.9 tp10 -59.66 -48.72 80.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.717 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -55.39 -67.65 0.26 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.717 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.577 ' SD ' ' N ' ' A' ' 67' ' ' ALA . 3.2 ppp? -52.54 -30.22 29.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.79 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.577 ' N ' ' SD ' ' A' ' 66' ' ' MET . . . -72.96 -49.59 28.39 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.637 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.515 ' NZ ' ' OE2' ' A' ' 64' ' ' GLU . 47.4 mttp -67.29 -33.0 74.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.406 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 57.9 mm-40 -70.07 -59.01 3.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.757 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.469 ' CG ' ' N ' ' A' ' 71' ' ' SER . 9.3 ptt? -61.06 -42.49 98.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.651 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.469 ' N ' ' CG ' ' A' ' 70' ' ' MET . 70.0 m -60.74 -52.94 62.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.668 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -61.82 -31.63 71.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.674 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -76.58 -45.94 28.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.688 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 16.7 mt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.648 -179.967 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 30.5 tp60 . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.872 0.368 . . . . 0.0 110.454 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 19.4 mm-40 -63.08 -60.47 3.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.472 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.422 ' O ' ' OE1' ' A' ' 12' ' ' GLU . 10.6 tp60 -50.15 -32.09 15.23 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.671 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.18 -63.51 1.05 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.066 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.7 p -64.16 -30.54 50.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.726 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 65.5 mt -67.82 -64.62 0.82 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.544 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.422 ' OE1' ' O ' ' A' ' 8' ' ' GLN . 7.8 pt-20 -56.22 -38.76 71.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.803 0.335 . . . . 0.0 110.589 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.41 ' N ' ' CG ' ' A' ' 12' ' ' GLU . 35.4 tp60 -61.48 -46.56 89.52 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.387 179.765 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 42.4 mm-40 -62.07 -52.93 61.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.286 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 37.5 mtp180 -50.84 -45.89 59.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.372 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 33.4 ttm180 -62.56 -58.67 6.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.475 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -42.37 -44.89 4.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.546 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 85.6 mtt180 -64.6 -51.72 61.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.396 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -47.26 -59.15 3.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.402 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.458 ' N ' ' CD1' ' A' ' 20' ' ' LEU . 8.6 mp -55.7 -62.77 1.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.225 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -40.61 -38.94 0.95 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.58 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.6 tp -67.02 -48.14 69.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.074 179.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 29.3 mtp180 -57.69 -57.46 12.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.012 179.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.498 ' O ' ' N ' ' A' ' 27' ' ' SER . 14.1 mt -49.26 -55.62 3.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.812 179.688 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -45.38 -49.94 12.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.011 179.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 62.1 mt-30 -66.52 -21.76 66.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.162 179.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.498 ' N ' ' O ' ' A' ' 24' ' ' ILE . 4.0 t -76.2 -48.81 19.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.129 179.791 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -69.26 -28.06 65.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.028 179.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -79.33 -38.15 35.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.791 -179.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -80.06 -25.15 40.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.885 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.1 mt . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.394 -179.849 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 35' ' ' GLU . 5.4 m . . . . . 0 C--O 1.233 0.203 0 CA-C-O 120.77 0.319 . . . . 0.0 110.509 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -45.05 -19.79 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.573 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 33' ' ' SER . 68.1 tt0 -61.22 -46.55 89.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.536 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.49 -50.11 74.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.531 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 81.0 mm-40 -54.49 -47.01 73.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.559 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.61 -57.82 11.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.356 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.414 ' OD1' ' O ' ' A' ' 35' ' ' GLU . 1.8 m-20 -48.16 -53.75 15.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.506 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.7 mt -55.56 -44.16 76.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.449 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.61 -51.3 70.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.606 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 33.7 mt -65.85 -39.04 90.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.537 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 45.0 ttm-85 -70.74 -24.92 62.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.477 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 45.0 ttt180 -80.02 -26.43 39.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.396 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 20.8 t -71.92 99.62 2.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.489 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.528 ' C ' ' H ' ' A' ' 48' ' ' SER . 5.5 tp -69.9 -24.95 63.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.509 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -74.76 24.83 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.586 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.528 ' H ' ' C ' ' A' ' 46' ' ' LEU . 8.4 t . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.585 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.9 p . . . . . 0 C--O 1.232 0.133 0 N-CA-C 110.283 -0.266 . . . . 0.0 110.283 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_exo -37.35 -40.1 0.71 Allowed 'Trans proline' 0 C--N 1.31 -1.451 0 C-N-CA 122.623 2.215 . . . . 0.0 112.35 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -66.97 -44.32 80.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.651 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -59.19 -64.4 0.95 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.733 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.598 ' SD ' ' N ' ' A' ' 67' ' ' ALA . 3.3 ppp? -54.77 -41.3 70.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.661 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.598 ' N ' ' SD ' ' A' ' 66' ' ' MET . . . -59.97 -46.2 90.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.529 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -63.85 -40.5 96.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.547 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -61.13 -54.8 39.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.541 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 67.6 mtp -56.11 -51.56 67.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.556 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 59.5 p -60.6 -37.24 80.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.591 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -73.54 -29.53 62.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.637 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 48.5 t80 -80.28 -65.57 0.99 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.696 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 38.2 mt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.496 -179.928 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.626 ' NE2' ' H1 ' ' A' ' 6' ' ' GLN . 2.0 pm0 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.845 0.355 . . . . 0.0 110.567 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 21.2 mm100 -42.94 -60.44 1.61 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.621 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.7 mm-40 -49.79 -33.04 15.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.701 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.7 -60.7 2.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.958 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.5 p -65.99 -29.32 46.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.735 -179.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 59.8 mt -69.52 -62.38 1.4 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.699 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -59.86 -38.28 81.69 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.669 -179.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 72.2 tp60 -64.46 -44.49 90.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.576 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -62.42 -52.06 65.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.582 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 15.4 mmm180 -56.85 -46.52 81.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.509 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 56.9 mtt-85 -67.46 -33.65 75.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.454 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -61.62 -60.64 3.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.764 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.4 ptp180 -61.11 -45.97 92.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.702 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -50.56 -63.3 1.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.427 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 8.9 mp -55.52 -59.03 5.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.314 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -45.81 -35.7 4.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.457 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.9 tp -73.8 -42.08 61.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.396 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 29.8 mtp85 -60.52 -47.18 87.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.465 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 19.0 mt -70.87 -39.94 75.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.506 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.58 -45.88 81.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.577 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 77.8 mm-40 -68.78 -36.86 78.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.54 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 31' ' ' LEU . 70.5 m -71.14 -57.3 4.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.734 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -58.72 -36.79 74.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.343 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.19 -38.98 75.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.142 179.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -79.56 -25.04 41.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.324 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' A' ' 27' ' ' SER . 3.4 tp . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.554 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.528 0.118 0 CA-C-O 120.788 0.327 . . . . 0.0 111.385 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -45.65 -27.83 0.87 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.637 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -55.46 -44.76 76.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.518 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.86 -46.67 89.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.555 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -56.45 -62.78 1.49 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.46 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -52.01 -47.72 64.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.599 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 52.1 t0 -54.04 -64.31 0.87 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.651 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 15.1 mt -46.18 -50.23 15.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.534 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.11 -44.66 87.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.558 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 17.7 mt -61.92 -33.6 74.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.493 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 44.9 ttt85 -78.64 -33.46 47.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.537 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 11.8 ttt180 -80.25 7.45 9.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.498 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.501 ' C ' ' H ' ' A' ' 47' ' ' ASP . 88.2 p -65.17 -20.13 66.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.936 -179.719 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -52.54 -9.67 0.12 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.311 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.501 ' H ' ' C ' ' A' ' 45' ' ' SER . 31.5 p30 -78.26 2.8 17.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.494 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 87.8 p . . . . . 0 C--N 1.331 -0.223 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.546 -179.949 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 16.6 p . . . . . 0 CA--C 1.529 0.14 0 N-CA-C 110.346 -0.242 . . . . 0.0 110.346 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_exo -37.81 -40.97 1.06 Allowed 'Trans proline' 0 C--N 1.31 -1.494 0 C-N-CA 122.541 2.16 . . . . 0.0 112.223 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -67.24 -45.32 77.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.743 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -60.44 -62.84 1.57 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.621 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 18.9 ptm -54.18 -43.97 71.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.504 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -56.58 -47.48 79.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.49 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.413 ' NZ ' ' CB ' ' A' ' 68' ' ' LYS . 9.7 mtpm? -66.83 -60.13 2.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.516 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 73' ' ' PHE . 88.4 mt-10 -47.09 -49.74 21.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.489 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 28.8 mtt -57.52 -61.24 2.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.51 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 40.8 m -54.84 -31.52 59.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.511 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -80.32 -30.64 38.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.575 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.45 ' N ' ' O ' ' A' ' 69' ' ' GLU . 33.9 t80 -78.54 -48.81 14.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.544 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 19.2 mt . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.47 179.986 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.808 0.337 . . . . 0.0 110.698 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -50.84 -60.28 3.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.537 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.2 mm-40 -48.34 -35.52 12.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.686 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.0 -67.1 0.47 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.791 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.4 p -58.7 -46.51 90.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.563 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 83.5 mt -52.44 -59.32 4.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.804 0.335 . . . . 0.0 110.311 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 51.8 mm-40 -54.62 -47.33 73.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.527 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 29.4 tp60 -54.38 -44.01 71.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.417 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -62.94 -42.55 99.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.185 179.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 18.2 mmm-85 -57.09 -43.72 82.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.213 179.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 23.6 mmt180 -66.54 -63.72 1.01 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.462 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -41.4 -43.64 2.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.879 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.6 mmp_? -68.11 -48.21 66.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.774 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -60.31 -49.77 76.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.885 0.374 . . . . 0.0 110.361 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.6 mt -57.59 -62.51 1.74 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.416 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -47.92 -37.28 13.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.568 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.5 tp -68.29 -38.17 81.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.52 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 39.8 mtp180 -66.42 -47.79 72.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.503 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 37.5 mt -64.59 -38.42 82.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.541 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.3 -45.73 86.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.584 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -69.72 -31.56 69.64 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.382 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 9.3 t -74.16 -54.63 7.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.576 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -64.08 -31.65 72.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.455 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -74.15 -43.34 57.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.599 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -75.96 -24.88 55.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.516 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.2 tp . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.836 179.741 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.6 m . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.768 0.318 . . . . 0.0 110.536 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -55.55 -37.78 68.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.595 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -44.92 -42.4 8.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.571 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.07 -45.96 89.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.556 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -58.42 -45.94 87.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.593 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.12 -54.26 47.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.488 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -53.31 -64.86 0.68 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.608 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 12.6 mt -44.58 -50.44 9.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.572 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.35 -41.9 80.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.344 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 15.1 mt -69.21 -21.34 63.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.373 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 34.2 ttm180 -79.86 -57.8 3.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.425 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.1 ptp85 -64.2 -18.46 64.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.662 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 25.9 t -43.81 148.61 0.36 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.72 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.558 ' C ' ' H ' ' A' ' 48' ' ' SER . 4.1 tp -70.27 -15.91 62.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.555 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 50.3 p-10 -71.07 18.89 0.06 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.711 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.558 ' H ' ' C ' ' A' ' 46' ' ' LEU . 35.4 t . . . . . 0 C--N 1.332 -0.188 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.44 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.2 p . . . . . 0 CA--C 1.531 0.244 0 N-CA-C 110.601 -0.148 . . . . 0.0 110.601 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_exo -41.87 -37.34 4.09 Favored 'Trans proline' 0 N--CA 1.491 1.347 0 C-N-CA 122.349 2.032 . . . . 0.0 112.205 179.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 48.7 tt0 -59.1 -56.77 17.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.57 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -52.41 -62.89 1.35 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.567 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 37.7 mtm -47.49 -50.07 24.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.489 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -52.26 -55.24 22.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.517 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.4 mtpm? -62.71 -57.96 9.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.552 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -44.97 -47.79 11.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.471 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 33.3 mtt -61.41 -54.71 39.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.466 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 24.2 p -50.22 -42.62 51.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.643 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -73.67 -30.3 62.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.526 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 62.3 t80 -75.33 -60.99 2.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.608 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 34.0 mt . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.401 179.947 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.831 0.348 . . . . 0.0 110.456 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -45.94 -59.99 2.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.543 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -49.19 -35.34 16.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.687 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.77 -66.92 0.49 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.1 p -57.87 -45.1 87.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.687 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 78.9 mt -54.92 -56.36 20.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.35 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -56.21 -47.16 78.94 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.532 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 49.3 tp60 -53.66 -41.29 66.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.511 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -67.02 -51.95 48.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.441 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 10.5 mmm180 -49.66 -57.09 7.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.43 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 56.9 ttt180 -60.71 -55.44 33.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.522 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -43.92 -46.61 8.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.706 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 -64.53 -52.96 55.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.647 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -47.08 -63.3 1.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.584 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.484 ' N ' ' CD1' ' A' ' 20' ' ' LEU . 8.5 mp -55.76 -62.79 1.46 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.427 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -41.69 -40.81 2.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.574 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.4 tp -67.25 -41.84 84.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.353 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.415 ' N ' ' O ' ' A' ' 20' ' ' LEU . 31.8 mtp85 -62.53 -46.28 89.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.43 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 32.6 mt -64.32 -38.78 83.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.409 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.5 -53.46 54.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.612 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -62.75 -32.03 73.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.499 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 16.5 t -74.26 -58.17 3.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.691 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.517 ' O ' ' CD2' ' A' ' 31' ' ' LEU . 1.5 pp20? -62.88 -20.82 65.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.672 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -87.74 -36.34 17.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.922 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -91.75 -20.42 21.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.053 -179.619 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.517 ' CD2' ' O ' ' A' ' 28' ' ' GLU . 3.0 mm? . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.635 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 58.1 m . . . . . 0 CA--C 1.527 0.066 0 CA-C-O 120.782 0.325 . . . . 0.0 110.491 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -59.31 -27.11 65.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.628 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.43 ' CG ' ' N ' ' A' ' 36' ' ' ALA . 14.9 pt-20 -58.06 -42.9 86.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.493 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.43 ' N ' ' CG ' ' A' ' 35' ' ' GLU . . . -63.11 -60.6 3.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.465 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 90.1 mm-40 -48.66 -50.24 33.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.51 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -53.98 -65.49 0.56 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.437 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.428 ' O ' ' N ' ' A' ' 43' ' ' ARG . 26.6 t70 -45.73 -51.74 12.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.54 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 20.2 mt -55.78 -40.28 72.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.428 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.13 -52.94 29.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.714 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 40.3 mt -68.61 -20.76 64.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.502 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.428 ' N ' ' O ' ' A' ' 39' ' ' ASP . 63.1 ttt180 -82.44 -52.96 6.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.567 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 28.3 ptt85 -67.98 -5.15 15.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.533 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.9 p -43.5 130.65 5.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.485 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.41 -43.66 92.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.373 -179.759 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -61.84 -30.51 70.89 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.283 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 27.9 t . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.116 179.83 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.494 ' O ' ' N ' ' A' ' 65' ' ' GLN . 1.4 p . . . . . 0 CA--C 1.53 0.183 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_exo -37.98 -37.84 0.65 Allowed 'Trans proline' 0 C--N 1.311 -1.419 0 C-N-CA 122.495 2.13 . . . . 0.0 112.185 179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 75.9 tt0 -67.66 -36.13 80.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.408 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.494 ' N ' ' O ' ' A' ' 62' ' ' THR . 21.1 mm100 -63.92 -65.98 0.61 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.562 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 2.4 ptp -55.89 -39.71 71.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.492 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -56.88 -48.86 77.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.622 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 50.7 tttm -65.63 -53.99 33.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.534 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -55.19 -51.41 66.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.634 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 51.3 mtp -56.2 -63.49 1.17 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.607 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 14.3 t -48.75 -32.33 8.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.522 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -72.43 -39.7 67.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.559 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -67.7 -50.27 58.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.614 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 33.7 mt . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.444 179.985 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.849 0.357 . . . . 0.0 110.545 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 62.9 mm-40 -42.95 -60.21 1.7 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.641 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 -50.04 -37.11 31.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.595 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.71 -67.09 0.47 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.797 -179.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.2 p -56.95 -47.58 83.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.746 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 86.4 mt -53.39 -60.48 3.24 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.904 -0.318 . . . . 0.0 110.469 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -54.25 -42.15 69.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.557 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 62.6 tp60 -62.98 -46.88 85.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.586 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -58.45 -56.4 22.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.516 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 76.0 mtt180 -50.78 -54.03 26.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.473 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 27.7 ttp180 -58.74 -50.43 73.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.62 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -47.63 -50.87 23.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.577 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 51.6 mtm180 -62.15 -48.46 79.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.636 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -49.13 -65.86 0.5 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.556 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.48 ' N ' ' CD1' ' A' ' 20' ' ' LEU . 8.4 mp -54.19 -60.58 3.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.529 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -41.78 -38.17 1.42 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.552 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.7 tp -71.56 -44.3 64.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.384 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.0 mtm180 -60.5 -51.19 70.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.455 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 17.2 mt -63.18 -42.41 96.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.372 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.25 -42.4 99.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.492 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 87.1 mm-40 -72.2 -32.4 66.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.361 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.7 t -72.06 -55.12 7.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.46 179.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.405 ' CD ' ' N ' ' A' ' 29' ' ' ALA . 2.0 pp20? -62.79 -37.28 86.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.3 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.405 ' N ' ' CD ' ' A' ' 28' ' ' GLU . . . -67.15 -43.9 81.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.378 179.805 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.2 mm-40 -76.03 -25.07 55.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.295 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.2 tp . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.63 179.731 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.529 0.137 0 CA-C-O 120.883 0.373 . . . . 0.0 111.473 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.414 ' N ' ' OD1' ' A' ' 34' ' ' ASP . 25.4 p-10 -44.86 -36.42 3.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.655 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 45.4 tp10 -47.82 -54.06 13.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.607 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.18 -54.54 20.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.612 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 67.3 mm-40 -54.26 -59.92 4.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.602 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.1 -56.92 10.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.575 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -46.74 -66.29 0.43 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.551 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 17.3 mt -48.08 -47.98 33.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.497 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.89 -40.01 79.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.592 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 16.8 mt -75.84 -20.09 58.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.522 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 26.9 ttm105 -77.51 -42.48 35.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.477 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -80.94 0.96 33.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.627 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 97.7 p -45.43 118.36 1.72 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.573 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.456 ' CD2' ' H ' ' A' ' 46' ' ' LEU . 0.1 OUTLIER -77.72 -48.74 15.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.494 -179.916 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 35.3 t0 -66.56 -17.9 65.07 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.552 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.416 ' O ' ' OG ' ' A' ' 48' ' ' SER . 15.9 t . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.559 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.8 p . . . . . 0 CA--C 1.531 0.212 0 CA-C-O 120.491 0.186 . . . . 0.0 110.516 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -40.15 -42.76 3.57 Favored 'Trans proline' 0 C--N 1.311 -1.405 0 C-N-CA 122.475 2.117 . . . . 0.0 112.087 179.658 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -64.95 -51.86 59.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.549 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -47.5 -53.99 12.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.523 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 60.5 mtm -63.39 -49.47 73.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.461 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -48.01 -50.42 27.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.546 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 62.9 tttt -64.31 -53.83 42.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.615 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -49.28 -47.95 46.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.589 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 56.7 mtt -61.96 -64.1 1.04 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.62 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 18.2 t -46.36 -35.94 5.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.643 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -79.15 -34.08 43.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.62 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -69.32 -56.93 6.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.6 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 47.4 mt . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.611 179.961 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.835 0.35 . . . . 0.0 110.552 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 23.0 mm100 -45.64 -60.5 2.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.627 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.8 tp60 -48.44 -33.88 10.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.883 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.61 -64.41 0.87 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.969 -179.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 5.0 p -62.13 -30.61 49.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.723 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 59.0 mt -68.18 -66.63 0.54 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.598 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -56.22 -35.29 67.16 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.553 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 66.0 tp60 -63.87 -46.77 83.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.393 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -66.96 -56.68 9.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.534 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 77.6 mtt180 -48.3 -48.88 35.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.476 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 57.1 ttt180 -60.89 -62.05 2.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.57 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 36.5 t0 -41.56 -54.03 3.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.651 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 85.6 mtt-85 -56.35 -54.27 47.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.519 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -48.49 -67.75 0.24 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.534 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.412 ' N ' ' CD1' ' A' ' 20' ' ' LEU . 9.9 mp -45.18 -63.93 0.83 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.486 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -45.96 -36.94 5.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.629 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.2 tp -72.07 -40.09 68.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.527 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 25.1 mtm180 -63.76 -47.98 78.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.485 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 25.1 mt -67.79 -38.56 80.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.594 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.28 -44.37 71.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.639 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 77.4 mm-40 -67.03 -36.61 82.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.745 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.426 ' O ' ' N ' ' A' ' 31' ' ' LEU . 37.9 t -71.29 -57.92 4.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.755 -179.848 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -59.95 -31.85 70.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.584 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.74 -45.77 60.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.59 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -79.35 -25.23 42.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.664 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 27' ' ' SER . 5.2 tp . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.822 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.2 m . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.786 0.327 . . . . 0.0 110.689 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -49.02 -30.04 5.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.373 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -54.07 -51.94 62.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.413 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.66 -60.59 3.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.478 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.405 ' N ' ' OE1' ' A' ' 37' ' ' GLN . 3.3 mm100 -44.93 -46.85 11.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.475 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.25 -45.25 93.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.539 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -59.38 -65.98 0.58 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.612 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.413 ' N ' ' CD1' ' A' ' 40' ' ' LEU . 10.2 mp -45.14 -44.86 11.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.399 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.97 -45.33 93.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.547 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 13.3 mt -67.23 -40.6 86.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.41 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 51.4 ttm-85 -67.43 -30.6 70.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.487 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 47.6 ttt180 -85.98 -38.07 18.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.409 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 66.4 m -98.85 78.47 2.31 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.569 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.576 ' C ' ' H ' ' A' ' 48' ' ' SER . 3.2 tp -70.35 -11.5 60.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.417 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -64.84 10.1 0.08 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.808 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.576 ' H ' ' C ' ' A' ' 46' ' ' LEU . 29.4 t . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.644 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.421 ' O ' ' N ' ' A' ' 65' ' ' GLN . 40.7 p . . . . . 0 CA--C 1.53 0.192 0 N-CA-C 110.352 -0.24 . . . . 0.0 110.352 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 80.4 Cg_exo -38.25 -39.26 0.98 Allowed 'Trans proline' 0 C--N 1.31 -1.462 0 C-N-CA 122.457 2.105 . . . . 0.0 112.242 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -63.59 -40.36 96.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.655 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.421 ' N ' ' O ' ' A' ' 62' ' ' THR . 28.4 mt-30 -65.91 -67.54 0.44 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.62 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 6.0 ptm -49.69 -42.64 46.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.628 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.22 -61.98 2.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.593 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -46.45 -50.0 17.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.492 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.503 ' O ' ' N ' ' A' ' 73' ' ' PHE . 27.1 mm-40 -57.35 -58.23 9.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.637 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 54.4 mtt -48.75 -53.46 18.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.516 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.7 t -56.86 -38.6 72.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.535 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -79.76 -22.66 42.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.566 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.503 ' N ' ' O ' ' A' ' 69' ' ' GLU . 35.0 t80 -82.11 -59.64 2.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.591 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 22.5 mt . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.428 -179.987 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.864 0.364 . . . . 0.0 110.598 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -47.16 -60.37 2.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.506 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.3 mm100 -47.38 -30.55 3.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.698 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.3 -62.96 1.25 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.642 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.5 p -62.38 -31.49 51.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.498 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 79.3 mt -68.91 -51.86 35.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.28 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.6 mm-40 -63.6 -35.28 80.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.576 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 66.6 tp60 -70.67 -39.71 73.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.612 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 79.8 mt-10 -66.25 -58.56 5.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.553 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.469 ' CG ' ' N ' ' A' ' 16' ' ' ARG . 5.8 ptm180 -57.55 -44.78 85.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.37 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.469 ' N ' ' CG ' ' A' ' 15' ' ' ARG . 41.2 ttm180 -63.3 -51.09 67.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.337 179.816 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -48.86 -48.74 41.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.412 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 23.7 mmt180 -60.97 -51.71 68.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.472 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 54.8 mm-40 -46.28 -58.43 3.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.605 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.9 mp -58.54 -66.11 0.54 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.361 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -40.76 -36.65 0.65 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.668 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.9 tp -67.38 -52.55 38.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.286 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 33.9 mtp180 -53.29 -57.52 10.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.193 179.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 10.8 mt -50.96 -56.79 3.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.121 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -48.46 -44.98 36.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.288 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 94.2 mm-40 -69.19 -22.43 63.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.736 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.488 ' O ' ' N ' ' A' ' 31' ' ' LEU . 31.5 t -77.91 -51.16 10.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.872 0.367 . . . . 0.0 110.294 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -68.69 -27.71 66.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.791 179.516 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -78.37 -41.69 32.59 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.699 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -87.73 -26.03 23.13 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.739 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.488 ' N ' ' O ' ' A' ' 27' ' ' SER . 7.1 mt . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.795 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.476 ' C ' ' H ' ' A' ' 35' ' ' GLU . 2.4 p . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.958 0.408 . . . . 0.0 110.302 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -49.17 -14.56 0.09 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.038 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.476 ' H ' ' C ' ' A' ' 33' ' ' SER . 16.6 pt-20 -60.53 -44.13 96.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.342 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.468 ' N ' ' CG ' ' A' ' 35' ' ' GLU . . . -53.41 -48.46 68.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.208 179.729 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -63.56 -60.03 3.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.478 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -47.18 -50.22 21.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.392 179.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -56.22 -52.57 63.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.474 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.524 ' CD2' HH22 ' A' ' 43' ' ' ARG . 10.2 mt -50.49 -51.48 46.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.36 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.47 -34.97 76.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.683 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 13.7 mt -72.62 -38.78 67.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.661 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.524 HH22 ' CD2' ' A' ' 40' ' ' LEU . 20.0 ttp-105 -75.86 -45.35 36.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.588 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 33.0 ttt180 -59.85 -16.22 27.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.484 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.3 t -87.85 95.5 10.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.472 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.542 ' N ' ' CD2' ' A' ' 46' ' ' LEU . 3.5 mm? -71.14 -14.89 62.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.385 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -71.54 3.47 3.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.575 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 93.6 p . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.491 -179.972 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.418 ' H ' ' HG1' ' A' ' 62' ' ' THR . 0.6 OUTLIER . . . . . 0 CA--C 1.528 0.123 0 N-CA-C 110.166 -0.309 . . . . 0.0 110.166 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_endo -57.55 -41.1 74.96 Favored 'Trans proline' 0 C--N 1.309 -1.509 0 C-N-CA 122.56 2.173 . . . . 0.0 111.907 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 49.7 tt0 -64.19 -36.33 83.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.575 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -67.15 -67.89 0.42 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.472 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 11.5 ptm -48.48 -42.32 32.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.451 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.09 -51.81 68.45 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.45 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 12.5 tptp -57.19 -50.5 72.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.377 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -51.68 -45.71 63.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.426 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 4.1 mmt -58.64 -57.31 13.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.447 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 23.1 t -54.03 -28.38 38.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.407 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 86.0 mt-10 -84.25 -36.54 22.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.572 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -71.76 -32.12 67.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.628 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 15.3 mt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.454 179.962 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.953 0.406 . . . . 0.0 110.279 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 28.1 mm100 -46.19 -60.12 2.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.458 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.2 mm-40 -46.89 -34.42 5.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.639 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.41 -65.16 0.75 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.812 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.4 p -60.99 -29.79 46.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.734 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 53.7 mt -67.17 -58.8 4.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.353 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -61.29 -35.43 77.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.559 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 35.2 tp60 -70.74 -37.4 73.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.732 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -67.12 -57.29 7.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.481 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.429 ' CG ' ' N ' ' A' ' 16' ' ' ARG . 11.3 ptm180 -58.76 -42.91 90.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.381 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.429 ' N ' ' CG ' ' A' ' 15' ' ' ARG . 21.5 ttm180 -66.62 -53.47 33.87 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.298 179.62 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -47.4 -45.04 24.93 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.317 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 40.5 mtt-85 -63.99 -55.44 22.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.287 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -43.6 -61.23 1.46 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.509 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.459 ' N ' ' CD1' ' A' ' 20' ' ' LEU . 8.8 mp -57.73 -61.91 2.18 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.314 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -44.66 -34.19 2.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.581 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.4 tp -69.92 -47.64 61.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.242 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 27.5 mtp180 -58.18 -58.39 8.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.058 179.584 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.47 ' O ' ' N ' ' A' ' 27' ' ' SER . 11.8 mt -52.74 -58.22 3.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.975 179.736 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -45.93 -44.23 14.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.246 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -70.8 -23.92 62.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.479 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.502 ' O ' ' N ' ' A' ' 31' ' ' LEU . 10.2 t -74.8 -48.97 22.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.133 179.793 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -68.38 -34.09 75.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.831 179.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.46 -39.39 70.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.608 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 31' ' ' LEU . 49.5 mt-10 -89.36 -24.36 21.98 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.742 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.502 ' N ' ' O ' ' A' ' 27' ' ' SER . 0.9 OUTLIER . . . . . 0 N--CA 1.467 0.389 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.899 -179.844 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.9 p . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.813 0.34 . . . . 0.0 110.545 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.0 p-10 -53.18 -37.21 61.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.504 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 65.4 tt0 -43.79 -38.45 3.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.674 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.48 -54.53 42.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.563 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 55.7 mm-40 -60.47 -43.86 96.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.555 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.01 -51.85 67.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.547 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.497 ' O ' ' N ' ' A' ' 43' ' ' ARG . 52.4 m-20 -58.67 -55.0 40.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.552 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 14.9 mt -52.28 -42.88 64.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.526 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.73 -44.15 78.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.541 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 18.2 mt -74.43 -21.14 59.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.446 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.497 ' N ' ' O ' ' A' ' 39' ' ' ASP . 49.4 ttp180 -78.24 -48.04 16.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.514 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -71.63 -28.36 63.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.556 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.474 ' C ' ' N ' ' A' ' 47' ' ' ASP . 46.4 m -69.84 84.89 0.48 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.533 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.472 ' C ' ' H ' ' A' ' 48' ' ' SER . 3.9 tp -45.8 -16.67 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.571 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.474 ' N ' ' C ' ' A' ' 45' ' ' SER . 13.0 t70 -74.53 14.25 0.5 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.57 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.472 ' H ' ' C ' ' A' ' 46' ' ' LEU . 11.9 p . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.579 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 7.7 p . . . . . 0 CA--C 1.53 0.176 0 CA-C-O 120.466 0.174 . . . . 0.0 110.644 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -41.52 -49.28 5.2 Favored 'Trans proline' 0 C--N 1.311 -1.402 0 C-N-CA 122.509 2.14 . . . . 0.0 112.215 179.677 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -54.97 -54.08 47.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.594 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -51.18 -50.21 59.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.609 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 27.8 mtm -61.53 -35.58 78.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.659 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.449 ' O ' ' OG ' ' A' ' 71' ' ' SER . . . -63.91 -57.78 8.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.733 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 38.9 tttm -58.56 -38.64 78.29 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.689 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -67.13 -59.2 3.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.025 -179.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.468 ' CG ' ' N ' ' A' ' 71' ' ' SER . 4.2 ptt? -64.13 -42.8 96.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.839 -179.549 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.468 ' N ' ' CG ' ' A' ' 70' ' ' MET . 49.4 m -58.64 -49.7 76.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.679 -179.781 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -65.75 -34.58 78.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.699 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -73.55 -61.39 1.85 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.714 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 21.5 mt . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.647 -179.937 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 28.3 pt20 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.829 0.347 . . . . 0.0 110.575 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -49.24 -60.08 3.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.426 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -44.32 -35.12 2.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.59 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.1 -64.72 0.83 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.976 -179.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.0 p -60.97 -26.3 38.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 C-N-CA 120.809 -0.357 . . . . 0.0 110.472 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 45.2 mt -69.63 -59.98 2.61 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.791 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -65.37 -28.33 69.19 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.597 -0.441 . . . . 0.0 110.442 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 37.3 tp60 -73.79 -42.36 61.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.558 -179.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -72.65 -41.96 64.87 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 120.285 -0.566 . . . . 0.0 110.956 -179.389 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.471 ' CG ' ' N ' ' A' ' 16' ' ' ARG . 30.1 ptt85 -69.19 -42.72 75.44 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.556 -0.458 . . . . 0.0 110.026 179.723 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.471 ' N ' ' CG ' ' A' ' 15' ' ' ARG . 64.7 ttt180 -62.91 -46.2 88.95 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.897 0.38 . . . . 0.0 110.123 179.515 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -58.59 -48.72 80.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.324 179.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 12.8 mmp_? -61.87 -47.15 86.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.424 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -53.53 -67.22 0.27 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.538 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.9 mp -51.15 -61.05 2.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.442 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -41.47 -38.26 1.24 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.691 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.4 tp -69.23 -48.42 61.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.253 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 44.5 mtp85 -54.77 -57.17 12.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.159 179.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 10.5 mt -54.16 -53.1 31.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.086 179.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -49.68 -46.51 50.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.196 179.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 91.7 mm-40 -71.11 -20.57 62.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.42 179.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.8 t -72.95 -55.56 6.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.313 -0.403 . . . . 0.0 109.978 179.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -64.82 -39.35 93.43 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.862 179.411 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.61 -42.81 98.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.535 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -75.86 -24.65 55.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.416 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.7 tp . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.677 179.825 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.429 ' O ' ' OE1' ' A' ' 37' ' ' GLN . 58.4 m . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.841 0.353 . . . . 0.0 110.582 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.413 ' OD1' ' O ' ' A' ' 34' ' ' ASP . 9.9 t0 -61.45 -21.56 64.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.683 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 21.0 pt-20 -59.81 -33.16 71.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.706 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -70.93 -57.42 4.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.59 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.474 ' CD ' ' H ' ' A' ' 37' ' ' GLN . 24.9 mp0 -58.93 -44.9 91.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.579 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.32 -51.32 70.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.494 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -59.23 -70.44 0.16 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.432 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.1 mt -40.81 -43.9 2.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.638 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.93 -45.68 91.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.591 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 15.7 mt -60.92 -37.93 84.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.558 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 59.7 mtt180 -75.17 -34.77 61.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.454 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 26.4 ttt180 -71.4 -1.99 14.97 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.735 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 32.2 t -89.71 -16.15 30.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.655 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.532 ' N ' ' CD2' ' A' ' 46' ' ' LEU . 3.6 mm? -66.32 -13.1 60.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.478 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -77.14 -23.67 51.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.521 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 10.6 t . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.6 -179.933 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.671 ' H ' ' NE2' ' A' ' 65' ' ' GLN . 43.7 p . . . . . 0 CA--C 1.531 0.227 0 N-CA-C 110.363 -0.236 . . . . 0.0 110.363 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -39.14 -35.55 0.65 Allowed 'Trans proline' 0 C--N 1.311 -1.422 0 C-N-CA 122.474 2.116 . . . . 0.0 112.207 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 53.4 tt0 -61.1 -50.9 71.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.803 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.671 ' NE2' ' H ' ' A' ' 62' ' ' THR . 2.0 mt-30 -59.73 -67.98 0.33 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.707 -179.795 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.602 ' SD ' ' N ' ' A' ' 67' ' ' ALA . 5.0 ppp? -46.48 -39.47 10.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.726 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.602 ' N ' ' SD ' ' A' ' 66' ' ' MET . . . -69.33 -59.02 3.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.484 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.422 ' O ' ' OE2' ' A' ' 72' ' ' GLU . 19.7 tptm -52.37 -52.28 54.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.401 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 76.9 mt-10 -55.6 -56.52 19.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.464 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 39.0 mmm -49.85 -44.4 49.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.376 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 19.7 m -57.76 -48.37 79.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.567 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.443 ' OE1' ' N ' ' A' ' 72' ' ' GLU . 0.3 OUTLIER -73.47 -26.65 61.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.608 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -71.62 -57.31 4.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.466 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 22.8 mt . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.583 -179.952 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.784 0.326 . . . . 0.0 110.585 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -60.71 -60.4 3.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.591 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 14.9 mm-40 -50.04 -34.35 21.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.818 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.94 -67.13 0.48 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.05 -179.678 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 13.8 p -58.34 -41.25 80.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.729 -179.584 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 82.1 mt -59.61 -60.47 3.79 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.903 -0.319 . . . . 0.0 110.356 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -50.41 -49.76 53.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.418 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 40.4 tp60 -54.37 -44.04 71.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.484 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -65.56 -53.33 43.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.581 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 34.0 mmt180 -46.62 -52.01 14.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.568 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -64.77 -58.66 5.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.583 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -42.53 -47.76 5.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.611 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 48.4 mtm180 -64.23 -54.92 25.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.527 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -45.73 -62.41 1.31 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.498 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.478 ' N ' ' CD1' ' A' ' 20' ' ' LEU . 8.2 mp -55.57 -65.03 0.66 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.43 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -40.41 -38.31 0.81 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.694 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.4 tp -66.5 -51.04 60.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.296 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 33.8 mtp85 -53.74 -56.36 18.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.145 179.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 11.7 mt -51.46 -53.95 13.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.086 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -48.76 -47.1 41.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.118 179.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 96.7 mm-40 -68.52 -22.22 64.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.427 179.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 31' ' ' LEU . 6.1 t -74.45 -55.99 5.35 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.157 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -60.62 -39.78 89.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.874 179.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.02 -48.11 77.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.457 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -75.84 -25.02 55.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.508 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 27' ' ' SER . 5.4 tp . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.645 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 11.5 p . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.803 0.335 . . . . 0.0 110.531 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 35.5 t0 -47.64 -31.22 4.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.436 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.427 ' O ' ' OD1' ' A' ' 39' ' ' ASP . 43.4 tt0 -53.42 -48.81 68.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.511 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.42 -53.6 56.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.546 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 18.0 mm100 -51.47 -49.4 61.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.543 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.76 -36.31 78.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.557 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.427 ' OD1' ' O ' ' A' ' 35' ' ' GLU . 9.6 m-20 -69.93 -47.91 60.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.583 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.9 mt -63.48 -32.6 74.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.454 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -73.11 -53.66 10.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.729 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.1 pp -67.65 -26.46 66.23 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.558 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 56.8 ttt180 -83.4 -31.12 26.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.515 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 28.6 ttt85 -69.75 -28.13 65.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.418 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.0 t -83.94 126.46 33.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.495 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.652 ' C ' ' H ' ' A' ' 48' ' ' SER . 8.1 mp -80.27 -2.54 45.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.533 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -66.68 25.21 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.755 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.652 ' H ' ' C ' ' A' ' 46' ' ' LEU . 6.8 m . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.706 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.4 p . . . . . 0 CA--C 1.529 0.155 0 N-CA-C 110.259 -0.274 . . . . 0.0 110.259 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_exo -38.19 -39.91 1.07 Allowed 'Trans proline' 0 C--N 1.311 -1.433 0 C-N-CA 122.508 2.138 . . . . 0.0 112.283 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -66.73 -46.7 74.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.614 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 61.4 mt-30 -55.64 -64.56 0.81 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.629 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.503 ' O ' ' SD ' ' A' ' 70' ' ' MET . 8.2 ptm -55.27 -53.04 61.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.69 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.446 ' N ' ' CG ' ' A' ' 66' ' ' MET . . . -45.86 -53.54 9.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.517 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 12.5 tptp -60.81 -61.06 2.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.597 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -46.2 -54.58 8.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.559 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.604 ' SD ' ' N ' ' A' ' 70' ' ' MET . 0.0 OUTLIER -50.59 -57.81 7.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.437 179.939 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 38.1 m -55.11 -26.96 41.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.615 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -78.34 -35.2 47.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.61 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -74.69 -37.15 62.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.54 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 20.0 mt . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.479 179.915 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.819 0.342 . . . . 0.0 110.588 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -50.45 -60.19 3.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.567 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 14.0 tp60 -49.22 -34.87 15.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.64 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.84 -67.02 0.48 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.775 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.7 p -59.13 -44.94 92.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.758 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 76.1 mt -53.54 -54.5 36.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.354 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -60.64 -43.88 97.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.533 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.643 HE22 HH21 ' A' ' 16' ' ' ARG . 59.2 tp60 -59.85 -39.09 84.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.586 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 70.9 mt-10 -66.38 -48.29 70.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.539 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 80.3 mtt180 -55.87 -56.2 23.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.504 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.643 HH21 HE22 ' A' ' 13' ' ' GLN . 52.1 ttp180 -57.96 -56.81 17.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.457 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -43.8 -44.4 6.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.528 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 16.9 mmt180 -64.76 -53.24 50.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.334 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -45.69 -59.57 2.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.511 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.494 ' N ' ' CD1' ' A' ' 20' ' ' LEU . 8.4 mp -59.43 -66.34 0.53 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.378 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -39.38 -36.59 0.37 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.671 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.2 tp -68.79 -51.15 44.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.211 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 39.5 mtp180 -58.6 -59.08 5.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.133 179.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.468 ' O ' ' N ' ' A' ' 27' ' ' SER . 13.9 mt -49.27 -55.04 4.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.888 179.655 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -45.38 -50.89 11.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.22 179.558 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -67.24 -20.87 65.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.409 179.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.485 ' O ' ' N ' ' A' ' 31' ' ' LEU . 5.0 t -76.63 -50.0 14.86 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.17 179.809 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -65.68 -35.25 80.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.95 179.542 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.54 -44.41 64.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.512 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -81.38 -25.18 36.51 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.64 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.485 ' N ' ' O ' ' A' ' 27' ' ' SER . 2.8 mt . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.544 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.456 ' C ' ' N ' ' A' ' 35' ' ' GLU . 6.8 t . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.799 0.333 . . . . 0.0 110.696 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -50.07 -15.22 0.19 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.999 0.428 . . . . 0.0 110.056 179.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.456 ' N ' ' C ' ' A' ' 33' ' ' SER . 1.3 pp20? -64.12 -29.4 70.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.452 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.58 -47.01 67.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.332 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.483 ' N ' ' CD ' ' A' ' 37' ' ' GLN . 17.8 mp0 -63.82 -52.61 59.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.32 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.44 -40.89 79.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.353 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.533 ' OD2' ' NH1' ' A' ' 43' ' ' ARG . 15.4 t70 -62.62 -60.36 3.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.484 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.0 mt -46.57 -47.18 19.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.472 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.65 -53.56 56.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.524 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 13.7 mt -57.97 -41.99 84.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.558 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.533 ' NH1' ' OD2' ' A' ' 39' ' ' ASP . 22.3 ttm105 -66.01 -46.19 78.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.506 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 27.1 ttt180 -59.81 -37.62 79.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.481 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 37.3 m -89.8 73.0 7.59 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.551 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.469 ' C ' ' H ' ' A' ' 48' ' ' SER . 5.6 tp -74.37 -30.1 61.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.544 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -63.59 -0.6 0.99 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.632 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.469 ' H ' ' C ' ' A' ' 46' ' ' LEU . 88.7 p . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.55 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.536 ' OG1' ' NE2' ' A' ' 65' ' ' GLN . 2.7 p . . . . . 0 CA--C 1.53 0.196 0 N-CA-C 110.408 -0.219 . . . . 0.0 110.408 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_exo -38.77 -44.26 2.3 Favored 'Trans proline' 0 C--N 1.31 -1.454 0 C-N-CA 122.666 2.244 . . . . 0.0 112.453 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -65.25 -45.69 83.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.688 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.685 ' H ' HE21 ' A' ' 65' ' ' GLN . 0.2 OUTLIER -62.18 -63.4 1.25 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.635 -179.812 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.491 ' SD ' ' N ' ' A' ' 67' ' ' ALA . 0.0 OUTLIER -54.03 -36.22 62.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.718 -179.739 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.491 ' N ' ' SD ' ' A' ' 66' ' ' MET . . . -65.18 -64.46 0.86 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.468 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 15.9 tptp -45.19 -54.06 7.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.509 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 72.7 mt-10 -53.35 -52.34 59.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.558 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 7.1 mmt -60.66 -63.04 1.44 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.536 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 38.7 p -45.55 -36.22 4.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.648 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -77.4 -32.04 54.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.537 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -72.99 -53.34 11.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.482 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 37.0 mt . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.458 179.921 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.798 0.333 . . . . 0.0 110.342 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 28.0 mm100 -45.37 -60.29 2.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.488 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -47.16 -33.91 5.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.673 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.59 -64.86 0.8 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.754 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.8 p -60.71 -30.28 46.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.648 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 57.5 mt -66.52 -61.48 1.97 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.265 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -60.12 -36.3 77.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.495 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 33.2 tp60 -66.05 -45.29 81.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.573 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -64.96 -56.52 12.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.417 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 85.4 mtt-85 -50.5 -53.22 31.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.361 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.416 ' O ' ' N ' ' A' ' 19' ' ' GLU . 39.3 ttp180 -59.32 -62.16 2.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.411 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 16' ' ' ARG . 25.4 t0 -39.59 -41.48 1.03 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.613 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 15.3 mmt85 -68.39 -45.48 72.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.25 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.416 ' N ' ' O ' ' A' ' 16' ' ' ARG . 58.5 mm-40 -55.86 -53.33 58.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.431 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 14.0 mt -60.31 -61.56 2.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.399 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -43.43 -36.51 1.99 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.426 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.4 tp -69.21 -47.92 63.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.163 179.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 25.5 mtp180 -55.24 -57.19 12.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.119 179.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 10.8 mt -54.02 -54.86 17.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.132 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -48.69 -48.78 39.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.178 179.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 91.0 mm-40 -69.33 -19.93 63.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.31 179.664 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.3 t -73.77 -57.06 4.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 109.933 179.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -62.01 -39.13 91.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.726 179.249 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.1 -45.19 93.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.394 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 53.6 mm-40 -75.84 -25.05 55.88 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.526 179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.4 tp . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.529 179.962 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.479 ' O ' ' N ' ' A' ' 35' ' ' GLU . 2.8 t . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.78 0.324 . . . . 0.0 110.927 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -44.67 -18.98 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.212 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 33' ' ' SER . 20.2 tt0 -69.59 -51.62 33.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.299 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.3 -50.57 69.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.551 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 63.5 mm-40 -59.42 -50.99 71.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.599 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.99 -52.26 66.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.624 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -57.88 -69.17 0.18 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.638 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 14.2 mt -42.65 -41.41 3.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.593 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.26 -42.51 99.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.691 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.4 mt -63.47 -37.94 89.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.576 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 14.9 mtp-105 -77.12 -48.4 17.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.594 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 17.8 ttm180 -59.75 -13.52 10.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.568 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 20.7 t -71.76 125.05 26.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.524 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.551 ' N ' ' CD2' ' A' ' 46' ' ' LEU . 3.5 mm? -71.7 -27.54 63.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.443 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -77.93 12.75 1.63 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.545 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 28.5 t . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.57 179.956 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.529 0.142 0 N-CA-C 110.267 -0.272 . . . . 0.0 110.267 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -64.92 -34.96 46.3 Favored 'Trans proline' 0 C--N 1.31 -1.489 0 C-N-CA 122.438 2.092 . . . . 0.0 111.78 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -63.14 -37.53 87.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.218 179.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 24.2 mm100 -66.25 -50.15 64.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.317 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 55.3 mtm -56.88 -43.58 81.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.376 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.7 -52.43 65.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.512 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 33.6 tptt -52.5 -48.86 65.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.499 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 57.7 mm-40 -58.3 -51.19 70.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.529 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 13.2 mmt -59.18 -60.92 3.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.56 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 21.7 p -46.23 -43.28 15.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.515 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 10.0 tm-20 -72.02 -27.04 62.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.545 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -79.31 -37.6 37.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.507 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 21.1 mt . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.451 179.94 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 53.0 tp60 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.731 0.3 . . . . 0.0 110.501 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 24.7 mm100 -42.93 -60.53 1.58 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.575 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.417 ' OE1' ' OE1' ' A' ' 12' ' ' GLU . 7.1 tp-100 -47.05 -38.07 10.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.679 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.12 -65.21 0.71 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.925 -179.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 5.0 p -60.3 -29.64 44.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.64 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 41.1 mt -65.69 -67.51 0.44 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.605 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.417 ' OE1' ' OE1' ' A' ' 8' ' ' GLN . 15.3 pt-20 -57.8 -33.53 68.68 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.664 -179.746 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 21.9 tp60 -70.83 -36.67 73.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.412 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -68.3 -57.68 5.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.512 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.497 ' CG ' ' N ' ' A' ' 16' ' ' ARG . 12.0 ptm180 -58.14 -45.36 87.5 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.324 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.497 ' N ' ' CG ' ' A' ' 15' ' ' ARG . 38.1 ttm180 -62.28 -52.05 65.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.307 179.654 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -48.14 -51.41 24.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.389 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 39.2 mtp180 -59.91 -52.81 63.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.53 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 81.1 mt-10 -45.54 -66.22 0.43 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.519 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.463 ' N ' ' CD1' ' A' ' 20' ' ' LEU . 8.7 mp -54.68 -62.96 1.32 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.307 179.804 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -40.08 -39.13 0.83 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.579 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.5 tp -67.23 -48.62 67.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.1 179.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 59.7 mtp180 -56.48 -57.03 14.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.142 179.599 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.455 ' O ' ' N ' ' A' ' 27' ' ' SER . 13.8 mt -50.48 -55.7 5.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.004 179.659 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -45.76 -46.99 15.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.249 179.65 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -69.77 -22.93 63.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.315 179.692 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 24' ' ' ILE . 5.4 t -73.22 -51.36 18.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.0 179.769 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -65.35 -38.33 89.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.844 179.428 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.7 -44.35 90.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.465 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -75.76 -24.88 56.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.37 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.4 tp . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.776 179.793 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.42 ' OG ' ' OG ' ' A' ' 27' ' ' SER . 8.4 p . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.856 0.36 . . . . 0.0 110.618 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -55.17 -21.83 15.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.416 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.402 ' CG ' ' N ' ' A' ' 36' ' ' ALA . 22.1 pt-20 -62.82 -40.74 98.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.507 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.402 ' N ' ' CG ' ' A' ' 35' ' ' GLU . . . -64.18 -52.08 60.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.545 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 95.7 mm-40 -54.75 -47.67 73.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.473 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.54 -58.3 8.9 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.535 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -46.99 -62.29 1.48 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.551 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.9 mt -47.71 -49.16 28.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.518 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -51.71 -52.6 47.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.607 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 22.7 mt -64.79 -23.74 67.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.534 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.406 ' C ' ' H ' ' A' ' 45' ' ' SER . 9.7 tpt180 -75.35 -50.11 16.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.586 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -76.9 11.45 1.75 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.601 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.406 ' H ' ' C ' ' A' ' 43' ' ' ARG . 89.8 p -66.88 95.95 0.39 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.593 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.48 ' C ' ' H ' ' A' ' 48' ' ' SER . 4.8 tp -80.3 -22.72 41.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.44 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -76.97 19.68 0.29 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.546 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.48 ' H ' ' C ' ' A' ' 46' ' ' LEU . 26.0 t . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.835 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.4 p . . . . . 0 CA--C 1.529 0.17 0 N-CA-C 110.233 -0.284 . . . . 0.0 110.233 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 82.3 Cg_exo -38.49 -35.5 0.47 Allowed 'Trans proline' 0 C--N 1.31 -1.477 0 C-N-CA 122.537 2.158 . . . . 0.0 112.237 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -68.25 -47.77 66.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.63 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -55.07 -62.04 1.92 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.693 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.593 ' SD ' ' N ' ' A' ' 67' ' ' ALA . 3.0 ppp? -57.99 -41.56 83.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.664 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.593 ' N ' ' SD ' ' A' ' 66' ' ' MET . . . -59.65 -60.33 4.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.886 0.374 . . . . 0.0 110.452 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 12.9 tptp -51.94 -42.11 62.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.408 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -61.51 -58.27 8.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.405 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 24.6 mtt -49.41 -47.7 47.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.505 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.3 t -62.51 -35.84 80.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.54 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -77.28 -30.95 54.52 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.671 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -79.79 -52.04 8.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.564 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 20.7 mt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.522 -179.893 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.57 ' CD ' ' H1 ' ' A' ' 6' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.747 0.308 . . . . 0.0 110.496 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.493 ' N ' ' OE1' ' A' ' 6' ' ' GLN . 10.5 mm-40 -42.95 -60.33 1.66 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.374 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 29.9 tp60 -46.67 -36.12 6.73 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.61 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.43 -67.02 0.51 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.878 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.1 p -57.07 -28.99 30.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.698 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 55.6 mt -69.68 -67.16 0.5 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.601 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -57.71 -33.21 68.17 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.582 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 52.3 tp60 -66.51 -46.97 74.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.405 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -63.51 -60.05 3.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.398 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.8 mmp_? -48.82 -50.83 32.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.379 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 69.9 ttt-85 -58.14 -53.35 59.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.424 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -44.75 -52.29 8.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.599 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 20.5 mmt180 -59.98 -53.07 62.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.562 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -45.4 -65.47 0.53 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.548 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.45 ' N ' ' CD1' ' A' ' 20' ' ' LEU . 9.0 mp -51.86 -63.06 1.26 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.42 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -41.77 -41.27 2.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.699 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.4 tp -67.75 -41.01 84.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.53 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.406 ' N ' ' O ' ' A' ' 20' ' ' LEU . 68.6 mtp180 -62.48 -46.04 90.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.48 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 31.3 mt -64.81 -41.94 93.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.435 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.9 -46.34 75.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.539 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 77.2 mm-40 -69.98 -35.02 74.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.354 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 58.8 m -71.49 -57.43 4.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.586 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -58.9 -37.44 76.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.236 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.32 -38.79 78.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.214 179.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -79.05 -25.08 43.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.419 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.413 ' O ' ' OD1' ' A' ' 34' ' ' ASP . 3.9 tp 59.09 26.43 15.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.663 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.8 mm -93.19 -27.91 4.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.427 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 18.7 m -78.14 55.21 1.46 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.446 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.413 ' OD1' ' O ' ' A' ' 31' ' ' LEU . 1.5 m-20 -71.82 -18.97 62.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.62 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.477 ' CD ' ' N ' ' A' ' 36' ' ' ALA . 2.2 pp20? -61.66 -38.57 88.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.569 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.477 ' N ' ' CD ' ' A' ' 35' ' ' GLU . . . -64.18 -50.57 67.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.479 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 77.9 mm-40 -56.61 -49.05 76.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.418 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.07 -48.68 75.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.441 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -58.32 -70.33 0.15 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.543 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 27.4 mt -44.82 -36.17 3.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.644 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.45 -37.41 82.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.605 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.5 mt -69.36 -43.51 73.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.575 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 40.1 mtp180 -73.78 -27.26 61.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.511 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 39.3 ttt-85 -78.31 -28.6 47.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.335 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 91.6 p -79.88 62.09 4.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.556 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.476 ' C ' ' H ' ' A' ' 48' ' ' SER . 5.7 tp -49.15 -28.56 4.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.608 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -75.82 21.56 0.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.607 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.476 ' H ' ' C ' ' A' ' 46' ' ' LEU . 14.9 t -45.92 -38.03 7.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.617 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -63.06 149.92 89.64 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.422 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -68.92 -180.0 2.89 Favored 'Trans proline' 0 C--N 1.309 -1.536 0 C-N-CA 122.526 2.15 . . . . 0.0 112.007 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 6.9 p -74.99 153.93 6.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.568 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 41.5 t -131.06 117.53 19.27 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.515 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 61.8 mttm -78.03 129.59 35.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.645 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -156.59 0.13 0.13 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.478 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -99.81 -27.35 13.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.505 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.435 ' C ' ' H ' ' A' ' 58' ' ' ARG . . . 93.41 35.23 6.31 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.4 m -79.24 33.56 0.23 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.896 0.379 . . . . 0.0 110.576 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.531 ' O ' ' O ' ' A' ' 59' ' ' PRO . 67.7 mtp180 -81.01 151.8 70.74 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.352 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.531 ' O ' ' O ' ' A' ' 58' ' ' ARG . 78.4 Cg_exo -40.65 176.55 0.0 OUTLIER 'Trans proline' 0 C--N 1.31 -1.45 0 C-N-CA 122.801 2.334 . . . . 0.0 112.4 179.761 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 28.5 ttmt 72.79 109.04 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.438 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.591 ' SD ' ' N ' ' A' ' 61' ' ' MET . 0.0 OUTLIER -87.16 114.44 23.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.607 -179.932 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.469 ' O ' ' N ' ' A' ' 65' ' ' GLN . 1.6 p -77.89 148.82 76.26 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.271 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_exo -37.77 -39.34 0.79 Allowed 'Trans proline' 0 C--N 1.31 -1.483 0 C-N-CA 122.551 2.167 . . . . 0.0 112.084 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -64.5 -39.78 94.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.557 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.469 ' N ' ' O ' ' A' ' 62' ' ' THR . 26.5 mt-30 -64.94 -64.98 0.73 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.56 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 10.1 ptm -53.07 -35.06 59.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.558 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.8 -40.41 83.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.475 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 33.3 tptt -71.3 -34.89 71.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.489 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -67.7 -58.45 4.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.554 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.486 ' CG ' ' N ' ' A' ' 71' ' ' SER . 15.5 ptm -60.42 -45.45 93.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.415 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.486 ' N ' ' CG ' ' A' ' 70' ' ' MET . 39.9 t -57.54 -45.68 84.8 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.503 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 50.0 tt0 -71.17 -33.4 69.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.55 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 39.4 t80 -67.83 -64.84 0.78 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.512 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 28.0 mt -47.61 -39.93 18.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.424 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 44.5 t -94.21 102.81 14.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.481 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 34.9 ttt85 -159.73 -74.54 0.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.529 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 170.88 177.44 40.81 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -77.37 -99.28 0.01 OUTLIER 'Trans proline' 0 C--N 1.306 -1.694 0 C-N-CA 122.874 2.383 . . . . 0.0 112.042 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.455 0 CA-C-O 117.952 -1.023 . . . . 0.0 110.531 179.937 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.807 0.336 . . . . 0.0 110.48 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -48.35 -60.14 2.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.43 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -49.23 -34.4 14.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.554 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.84 -65.96 0.61 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.65 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 5.1 p -60.09 -45.55 95.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.636 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 75.3 mt -53.18 -57.94 8.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.336 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 54.4 mm-40 -60.58 -37.16 80.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.535 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 46.6 tp60 -62.06 -41.05 97.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.503 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -68.42 -55.92 10.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.567 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 25.1 mmt180 -49.82 -50.84 43.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.568 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 30.3 ttm180 -64.47 -62.33 1.66 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.716 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -40.26 -46.91 2.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.798 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.1 mmp_? -63.88 -55.36 23.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.677 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.0 mm-40 -45.52 -59.84 2.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.532 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.46 ' N ' ' CD1' ' A' ' 20' ' ' LEU . 9.5 mp -56.65 -66.02 0.51 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.427 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -40.8 -35.3 0.48 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.633 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.2 tp -68.39 -52.0 37.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.255 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 48.1 mtp85 -56.98 -58.5 7.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.134 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.421 ' O ' ' N ' ' A' ' 27' ' ' SER . 12.3 mt -49.5 -56.09 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.924 179.72 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -47.12 -44.38 21.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.279 179.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -68.87 -24.95 64.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.399 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.536 ' HG ' ' CD ' ' A' ' 37' ' ' GLN . 9.1 t -74.23 -55.94 5.47 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.087 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -60.26 -38.04 82.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.005 179.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.14 -48.89 71.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.515 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -75.91 -25.7 56.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.574 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' A' ' 27' ' ' SER . 4.9 tp 49.05 27.28 1.64 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.632 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.2 mm -91.22 -63.91 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.37 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 33.3 p -72.23 51.47 0.24 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.768 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.415 ' OD2' ' O ' ' A' ' 31' ' ' LEU . 44.8 m-20 -62.88 -26.34 68.73 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.309 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.449 ' CG ' ' N ' ' A' ' 36' ' ' ALA . 11.4 pt-20 -60.91 -45.62 93.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.347 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.449 ' N ' ' CG ' ' A' ' 35' ' ' GLU . . . -58.44 -59.35 5.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.222 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.536 ' CD ' ' HG ' ' A' ' 27' ' ' SER . 7.8 mm100 -46.27 -54.7 8.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.248 179.768 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.38 -47.58 85.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.439 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.401 ' O ' ' N ' ' A' ' 43' ' ' ARG . 17.4 m-20 -54.67 -69.02 0.14 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.614 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.8 mp -43.84 -50.46 7.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.389 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.38 -41.86 81.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.458 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 13.1 mt -77.91 -15.07 59.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.29 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.431 ' C ' ' H ' ' A' ' 45' ' ' SER . 46.9 ttt85 -82.06 -50.37 9.16 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.535 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.545 ' O ' ' N ' ' A' ' 46' ' ' LEU . 7.4 ptt180 -64.84 -2.18 2.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.478 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.431 ' H ' ' C ' ' A' ' 43' ' ' ARG . 6.6 t -49.3 86.43 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.624 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.545 ' N ' ' O ' ' A' ' 44' ' ' ARG . 6.2 tp -78.74 -22.28 46.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.368 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 52.9 t0 -59.42 -1.73 0.25 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.609 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.515 ' H ' ' C ' ' A' ' 46' ' ' LEU . 11.4 t -43.4 -72.81 0.05 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.642 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.482 ' O ' ' O ' ' A' ' 50' ' ' PRO . 8.8 m-85 -75.69 149.11 83.19 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.272 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.482 ' O ' ' O ' ' A' ' 49' ' ' TYR . 88.2 Cg_exo -41.16 173.95 0.0 OUTLIER 'Trans proline' 0 C--N 1.313 -1.323 0 C-N-CA 122.607 2.205 . . . . 0.0 112.496 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 12.6 m -115.29 140.43 36.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.503 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 53.4 p -81.66 116.29 21.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.644 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 22.3 mmtm -74.18 170.0 16.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.56 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 54.13 74.61 0.32 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.608 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.448 ' C ' ' H ' ' A' ' 57' ' ' THR . 9.5 t70 -158.11 71.16 0.58 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.556 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 73.61 -10.64 6.51 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.448 ' H ' ' C ' ' A' ' 55' ' ' ASP . 12.3 p -94.13 69.93 3.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.874 0.369 . . . . 0.0 110.542 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 51.6 mtm180 -88.97 150.32 45.15 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.344 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -67.75 179.14 2.83 Favored 'Trans proline' 0 C--N 1.309 -1.506 0 C-N-CA 122.547 2.165 . . . . 0.0 111.949 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.401 ' C ' ' CD ' ' A' ' 60' ' ' LYS . 5.0 tmtt? 72.38 109.95 0.07 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.292 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 11.9 tpp -91.95 135.25 34.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.512 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 7.2 p -110.31 150.79 42.06 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.456 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_exo -38.99 -48.42 2.85 Favored 'Trans proline' 0 C--N 1.312 -1.381 0 C-N-CA 122.474 2.116 . . . . 0.0 112.131 179.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -55.66 -54.44 44.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.377 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -51.36 -54.03 30.44 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.349 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.496 ' O ' ' SD ' ' A' ' 70' ' ' MET . 67.6 mtp -52.26 -61.29 2.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.436 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -48.51 -56.81 7.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.53 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 12.8 tptm -55.55 -63.66 1.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.486 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -46.06 -57.32 4.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.581 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.591 ' SD ' ' N ' ' A' ' 70' ' ' MET . 0.0 OUTLIER -48.87 -47.41 42.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.418 179.9 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 16.5 t -59.16 -41.65 88.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.542 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 32.6 tp10 -67.59 -40.94 84.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.53 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -62.58 -57.18 12.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.483 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 41.0 mt -66.95 -23.93 66.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.503 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.502 ' HG ' ' H ' ' A' ' 76' ' ' ARG . 33.8 t 49.36 -151.71 0.15 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.655 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.502 ' H ' ' HG ' ' A' ' 75' ' ' SER . 15.4 ttm180 -77.95 -63.4 1.4 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.545 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -159.37 -172.66 26.79 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -46.82 137.9 15.71 Favored 'Trans proline' 0 C--N 1.306 -1.679 0 C-N-CA 122.799 2.332 . . . . 0.0 112.146 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 117.98 -1.01 . . . . 0.0 110.534 179.971 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 42.1 tt0 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.938 0.399 . . . . 0.0 110.377 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -45.01 -60.37 2.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.729 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -48.3 -37.17 15.72 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.836 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.45 -67.06 0.48 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.91 -179.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.2 p -56.59 -43.79 79.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.563 -179.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 84.4 mt -57.05 -67.56 0.31 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.386 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 58.8 mt-10 -46.2 -47.48 17.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.428 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.2 tm0? -58.23 -53.13 61.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.333 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 -55.05 -56.74 16.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.54 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 30.3 mtp180 -46.26 -51.14 15.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.382 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 65.0 ttt180 -55.19 -61.19 2.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.229 179.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -46.97 -47.03 21.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.308 179.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 53.0 mtp180 -61.2 -53.67 54.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.455 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 50.6 mm-40 -45.36 -56.89 4.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.49 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 11.0 mp -55.28 -62.94 1.34 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.318 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -49.96 -34.78 21.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.667 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.5 tp -69.91 -40.09 75.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.653 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 26.1 mtp180 -66.92 -46.18 75.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.504 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.441 ' O ' ' CG ' ' A' ' 28' ' ' GLU . 28.6 mt -71.03 -29.76 38.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.539 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.11 -51.56 13.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.743 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -68.12 -32.73 73.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.437 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 31' ' ' LEU . 45.7 t -73.98 -54.29 8.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.729 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.441 ' CG ' ' O ' ' A' ' 24' ' ' ILE . 1.3 pp20? -64.63 -28.45 69.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.562 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -77.18 -43.43 33.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.674 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -83.35 -25.36 31.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.535 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' A' ' 27' ' ' SER . 5.0 tp 46.46 50.08 12.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.82 179.8 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 85.4 mt -104.21 -38.14 4.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.431 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.1 m -75.7 47.68 0.42 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.482 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -45.08 -25.04 0.29 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.425 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -58.85 -50.09 75.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.457 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.21 -60.68 3.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.538 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -47.32 -43.46 22.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.606 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.47 -44.86 89.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.687 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -57.73 -62.85 1.5 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.622 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.471 ' N ' ' CD1' ' A' ' 40' ' ' LEU . 8.8 mp -54.36 -41.33 69.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.597 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.33 -58.72 7.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.61 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 15.1 mt -61.77 -37.23 83.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.511 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 44.8 ttt85 -71.01 -31.76 68.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.504 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.408 ' N ' ' O ' ' A' ' 40' ' ' LEU . 14.5 ttp-105 -77.79 -38.08 47.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.357 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 46.6 m -88.87 98.64 11.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.662 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.53 ' N ' ' CD2' ' A' ' 46' ' ' LEU . 3.6 mm? -71.82 -34.69 69.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.285 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -79.61 21.55 0.51 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.569 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.427 ' H ' ' C ' ' A' ' 46' ' ' LEU . 46.1 t -45.97 -48.41 16.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.68 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 2.8 p90 -76.39 151.42 83.21 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.358 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -69.88 -179.94 3.33 Favored 'Trans proline' 0 N--CA 1.494 1.527 0 C-N-CA 122.535 2.157 . . . . 0.0 111.939 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 5.9 m -118.3 129.62 74.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.513 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.9 t -115.27 129.09 56.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.454 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.415 ' O ' ' N ' ' A' ' 55' ' ' ASP . 8.4 mmtp -85.26 110.02 18.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.536 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.501 ' C ' ' H ' ' A' ' 56' ' ' GLY . 2.6 t30 36.08 34.36 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.097 179.807 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.531 ' C ' ' H ' ' A' ' 57' ' ' THR . 1.4 m-20 48.47 11.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.676 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.501 ' H ' ' C ' ' A' ' 54' ' ' ASN . . . 71.2 -17.37 1.02 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.079 -0.809 . . . . 0.0 111.079 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.531 ' H ' ' C ' ' A' ' 55' ' ' ASP . 11.7 p -90.21 77.15 6.76 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.82 0.343 . . . . 0.0 110.608 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 28.9 mtp180 -88.98 146.21 36.1 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.262 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -71.19 170.28 18.61 Favored 'Trans proline' 0 C--N 1.309 -1.506 0 C-N-CA 122.582 2.188 . . . . 0.0 111.818 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 56.6 tttp -178.71 146.99 0.36 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.626 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 3.2 ptt? -129.8 132.14 46.42 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.294 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.539 ' OG1' ' NE2' ' A' ' 65' ' ' GLN . 3.6 p -80.22 151.0 72.14 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.406 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.413 ' O ' ' CB ' ' A' ' 67' ' ' ALA . 82.5 Cg_exo -38.17 -46.85 2.27 Favored 'Trans proline' 0 C--N 1.311 -1.408 0 C-N-CA 122.671 2.247 . . . . 0.0 112.324 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 61.4 tt0 -54.07 -48.64 70.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.722 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.732 ' H ' HE21 ' A' ' 65' ' ' GLN . 0.3 OUTLIER -59.68 -65.96 0.59 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.53 -179.811 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 12.2 ptm -53.79 -39.26 65.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.636 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.413 ' CB ' ' O ' ' A' ' 63' ' ' PRO . . . -65.52 -59.72 3.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.473 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.8 mmmm -55.98 -55.24 35.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.582 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -49.56 -57.83 6.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.554 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 12.3 mmt -54.8 -58.17 8.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.586 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.5 t -48.2 -54.42 13.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.525 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -60.14 -45.67 92.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.736 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -60.67 -62.75 1.63 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.617 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 29.5 mt -56.46 -41.66 76.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.665 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.4 t -98.35 98.6 9.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.585 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 12.9 mtm180 -70.76 -45.73 64.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.559 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 163.36 171.7 29.93 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -72.67 140.3 32.31 Favored 'Trans proline' 0 C--N 1.306 -1.676 0 C-N-CA 122.805 2.337 . . . . 0.0 112.012 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.395 0 CA-C-O 117.916 -1.04 . . . . 0.0 110.587 -179.99 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.83 0.348 . . . . 0.0 110.618 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -43.45 -60.5 1.7 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.425 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -46.68 -36.27 6.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.686 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.34 -65.9 0.64 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.741 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.0 p -59.14 -30.18 43.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.662 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 42.9 mt -65.67 -60.03 3.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.366 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -58.98 -38.52 79.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.486 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 61.2 tp60 -62.62 -42.86 99.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.524 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 46.3 mm-40 -66.27 -49.52 66.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.532 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 67.0 mtp180 -53.63 -49.79 67.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.52 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 88.5 mtt180 -62.15 -61.14 2.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.606 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -40.88 -51.0 3.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.714 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 80.9 mtt180 -63.65 -51.15 66.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.532 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.5 mm-40 -55.76 -62.71 1.51 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.487 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.486 ' O ' ' N ' ' A' ' 23' ' ' ARG . 10.7 mp -51.1 -64.37 0.83 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.426 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -41.49 -42.52 2.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.548 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.1 tp -68.17 -35.93 78.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.392 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.486 ' N ' ' O ' ' A' ' 20' ' ' LEU . 37.3 mtp180 -72.77 -41.85 64.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.523 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.43 ' O ' ' CG ' ' A' ' 28' ' ' GLU . 54.8 mt -70.7 -30.3 41.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.676 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.87 -52.9 9.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.687 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -65.2 -33.26 75.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.454 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.432 ' OG ' ' OG ' ' A' ' 33' ' ' SER . 46.2 t -74.05 -58.71 3.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.617 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.43 ' CG ' ' O ' ' A' ' 24' ' ' ILE . 1.2 pp20? -59.71 -27.48 66.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.607 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -78.49 -44.04 25.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.604 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -80.84 -21.11 41.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.652 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.429 ' N ' ' O ' ' A' ' 27' ' ' SER . 4.9 mt 49.18 26.2 1.41 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.58 179.778 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.0 mm -79.94 -44.5 22.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.925 0.393 . . . . 0.0 110.405 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.432 ' OG ' ' OG ' ' A' ' 27' ' ' SER . 89.5 p -71.62 70.9 0.69 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.499 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -73.84 -28.24 61.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.594 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.4 ' CG ' ' N ' ' A' ' 36' ' ' ALA . 22.9 pt-20 -59.51 -41.37 89.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.545 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.4 ' N ' ' CG ' ' A' ' 35' ' ' GLU . . . -61.21 -54.31 45.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.507 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 17.6 mm-40 -54.11 -43.76 70.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.529 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.6 -44.4 97.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.57 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.486 ' O ' ' N ' ' A' ' 43' ' ' ARG . 4.1 m-20 -64.73 -50.7 65.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.618 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 22.5 mt -59.5 -31.91 69.79 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.312 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -73.0 -40.06 65.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.01 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.2 pp -89.04 -19.7 25.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.781 0.324 . . . . 0.0 110.627 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.486 ' N ' ' O ' ' A' ' 39' ' ' ASP . 44.0 ttm180 -81.6 -42.45 20.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.644 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 4.8 ppt_? -59.74 -13.09 8.67 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.592 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 13.6 t -81.28 121.6 26.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.559 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.517 ' C ' ' H ' ' A' ' 48' ' ' SER . 5.6 tp -82.42 -39.17 22.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.616 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.526 ' N ' ' OD1' ' A' ' 47' ' ' ASP . 18.5 p-10 -72.0 14.25 0.23 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.672 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.517 ' H ' ' C ' ' A' ' 46' ' ' LEU . 35.1 t -86.63 -38.63 16.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.665 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -66.48 151.58 95.98 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.441 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -43.87 119.53 1.98 Allowed 'Trans proline' 0 C--N 1.31 -1.468 0 C-N-CA 122.355 2.036 . . . . 0.0 111.862 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.1 p -76.9 139.77 18.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.39 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.4 p -131.02 132.05 44.72 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.542 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 41.0 mttp -80.84 148.33 30.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.53 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.549 ' C ' ' H ' ' A' ' 56' ' ' GLY . 5.6 t-20 -170.43 38.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.469 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.556 ' C ' ' H ' ' A' ' 57' ' ' THR . 0.7 OUTLIER 50.75 8.7 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.696 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.549 ' H ' ' C ' ' A' ' 54' ' ' ASN . . . 64.13 -5.85 0.86 Allowed Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.104 -0.798 . . . . 0.0 111.104 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.556 ' H ' ' C ' ' A' ' 55' ' ' ASP . 3.3 p 40.82 52.98 3.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.919 0.39 . . . . 0.0 110.727 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 35.7 mtp180 -84.13 146.79 49.15 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.386 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -68.59 179.71 2.92 Favored 'Trans proline' 0 N--CA 1.494 1.544 0 C-N-CA 122.459 2.106 . . . . 0.0 111.971 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 18.2 pttm -155.16 171.1 20.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.581 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.585 ' SD ' ' N ' ' A' ' 61' ' ' MET . 3.9 mpp? -80.97 112.13 18.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.579 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.0 p -79.42 148.36 70.11 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.328 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_exo -38.42 -40.51 1.29 Allowed 'Trans proline' 0 C--N 1.311 -1.434 0 C-N-CA 122.516 2.144 . . . . 0.0 112.23 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -62.94 -44.72 95.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.598 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -58.35 -67.12 0.38 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.546 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 15.0 ptm -51.55 -39.06 57.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.576 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.57 -57.68 11.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.532 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 48.1 tttp -58.03 -48.09 81.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.572 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -50.67 -50.81 53.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.514 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 12.7 mmt -60.01 -62.34 1.94 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.45 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.6 m -47.31 -30.05 2.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.534 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 67.6 tt0 -77.68 -41.86 36.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.611 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -72.0 -53.22 13.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.525 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.421 ' O ' ' O ' ' A' ' 75' ' ' SER . 35.4 mt -62.55 -8.41 6.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.531 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.421 ' O ' ' O ' ' A' ' 74' ' ' LEU . 51.9 p -50.2 -177.06 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.568 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -137.79 103.22 4.94 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.545 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 156.43 -68.16 0.29 Allowed Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.423 ' O ' ' OXT' ' A' ' 79' ' ' ALA . 59.3 Cg_endo -74.11 177.94 7.57 Favored 'Trans proline' 0 C--N 1.306 -1.678 0 C-N-CA 122.767 2.311 . . . . 0.0 112.085 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.423 ' OXT' ' O ' ' A' ' 78' ' ' PRO . . . . . . . . 0 C--O 1.219 -0.522 0 CA-C-O 118.03 -0.986 . . . . 0.0 110.584 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.777 0.322 . . . . 0.0 110.393 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 17.0 mm-40 -42.89 -60.3 1.65 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.466 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -46.54 -36.81 7.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.595 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.44 -65.28 0.72 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.944 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.9 p -59.28 -28.94 40.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.593 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 52.0 mt -69.28 -69.19 0.35 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.512 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -55.33 -31.11 61.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.488 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 15.8 tp60 -67.29 -47.64 70.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.387 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -63.82 -45.95 87.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.409 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 50.6 mtp180 -57.74 -51.76 68.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.392 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 86.3 mtt-85 -63.21 -59.51 4.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.448 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -41.07 -52.9 3.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.689 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 73.7 mtp180 -59.32 -51.38 70.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.559 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -57.46 -64.53 0.86 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.554 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.455 ' N ' ' CD1' ' A' ' 20' ' ' LEU . 8.9 mp -51.95 -61.03 2.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.501 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -44.42 -39.86 5.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.56 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.6 tt -70.98 -35.5 72.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.525 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 19.9 mtp180 -68.55 -43.98 75.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.493 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 39.4 mt -70.1 -38.21 74.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.508 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.95 -48.64 75.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.536 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 72.4 mm-40 -68.15 -36.69 80.08 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.386 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.409 ' O ' ' N ' ' A' ' 31' ' ' LEU . 70.6 m -70.66 -58.08 4.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.761 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -58.37 -35.47 72.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.309 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.88 -37.08 70.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.278 179.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -81.55 -25.16 36.08 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.576 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.409 ' N ' ' O ' ' A' ' 27' ' ' SER . 3.2 mt 53.97 24.03 4.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.412 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.0 mm -88.4 -41.64 14.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.317 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 52.5 m -78.23 55.9 1.6 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.578 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -68.14 -23.87 64.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.481 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -58.07 -42.09 84.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.532 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.56 -47.19 82.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.42 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 90.1 mm-40 -55.53 -51.54 66.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.532 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.74 -41.47 91.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.616 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -60.86 -66.71 0.49 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.662 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 32.1 mt -47.81 -40.33 20.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.512 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.45 -47.85 84.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.609 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 17.5 mt -67.17 -34.43 77.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.548 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 54.1 ttt180 -76.36 -34.98 58.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.569 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 20.1 ttp85 -80.82 -16.5 53.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.307 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.0 t -64.53 150.53 46.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.599 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.531 ' N ' ' CD2' ' A' ' 46' ' ' LEU . 3.6 mm? -68.19 -14.17 62.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.386 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -70.34 -26.86 63.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.632 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 90.2 p -86.75 79.51 8.82 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.562 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 39.3 p90 -62.49 148.65 89.96 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.332 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_exo -42.42 119.4 1.35 Allowed 'Trans proline' 0 C--N 1.311 -1.398 0 C-N-CA 122.357 2.038 . . . . 0.0 111.936 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.8 p -106.47 154.04 7.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.433 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.6 t -82.54 107.89 15.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.516 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 16.6 pttm -104.44 133.83 48.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.573 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -80.74 96.91 7.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.486 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 44.73 31.35 0.64 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.587 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 102.54 20.41 12.01 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.0 m 42.14 42.36 2.42 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.82 0.343 . . . . 0.0 110.669 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 59.0 mtp85 -92.67 147.82 34.93 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.439 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -68.02 -178.84 1.85 Allowed 'Trans proline' 0 N--CA 1.493 1.494 0 C-N-CA 122.496 2.131 . . . . 0.0 111.934 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 29.8 ttmt -146.81 127.78 14.53 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.59 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.51 ' SD ' ' N ' ' A' ' 61' ' ' MET . 0.0 OUTLIER -100.39 143.53 30.47 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.473 179.916 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 25.6 p -85.51 148.6 49.71 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.482 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_exo -39.1 -40.11 1.6 Allowed 'Trans proline' 0 C--N 1.31 -1.478 0 C-N-CA 122.566 2.177 . . . . 0.0 112.273 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 65.5 tt0 -63.9 -42.39 97.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.693 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -60.88 -67.8 0.37 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.611 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.581 ' SD ' ' N ' ' A' ' 67' ' ' ALA . 0.0 OUTLIER -53.05 -35.7 59.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.708 -179.812 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.581 ' N ' ' SD ' ' A' ' 66' ' ' MET . . . -59.93 -57.89 10.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.547 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 54.8 tttm -59.69 -51.42 69.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.568 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -47.96 -49.48 30.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.578 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 28.5 mmt -60.39 -57.63 11.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.524 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 39.0 m -53.98 -26.73 27.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.569 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 49.3 mm-40 -83.55 -37.21 23.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.519 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -75.98 -53.26 8.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.572 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 23.4 mt -53.25 -33.68 54.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.495 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 59.9 p -75.63 82.42 2.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.612 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 86.4 mtt-85 -77.42 -40.45 43.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.622 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 69.18 69.36 1.4 Allowed Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.929 -0.869 . . . . 0.0 110.929 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.416 ' O ' ' OXT' ' A' ' 79' ' ' ALA . 78.1 Cg_exo -46.82 110.21 0.27 Allowed 'Trans proline' 0 C--N 1.306 -1.666 0 C-N-CA 122.793 2.328 . . . . 0.0 112.074 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.416 ' OXT' ' O ' ' A' ' 78' ' ' PRO . . . . . . . . 0 C--O 1.221 -0.444 0 CA-C-O 118.001 -0.999 . . . . 0.0 110.526 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.796 0.331 . . . . 0.0 110.551 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -50.49 -60.03 3.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.526 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -48.99 -34.39 12.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.658 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.31 -66.69 0.52 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.783 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.9 p -59.54 -44.36 92.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.645 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 77.0 mt -54.87 -59.77 4.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.428 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -55.57 -46.09 77.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.508 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 38.7 tp60 -56.56 -43.81 80.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.494 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -65.13 -53.14 49.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.466 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 26.8 mmm-85 -50.8 -50.77 55.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.456 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 53.9 ttm-85 -61.69 -61.12 2.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.567 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -43.93 -45.51 7.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.477 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 17.1 mtp-105 -62.19 -53.01 61.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.505 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -49.43 -63.74 1.01 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.498 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.465 ' N ' ' CD1' ' A' ' 20' ' ' LEU . 9.1 mp -51.53 -64.03 0.94 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.379 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -42.06 -39.43 1.95 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.692 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.1 tp -66.78 -41.36 87.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.359 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.421 ' N ' ' O ' ' A' ' 20' ' ' LEU . 43.5 mtp85 -64.85 -44.02 91.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.365 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 45.7 mt -65.36 -38.06 81.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.458 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.74 -51.59 64.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.542 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 -64.75 -32.44 74.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.427 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 9.3 t -74.62 -59.65 2.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.695 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -59.16 -26.01 64.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.569 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -81.7 -40.35 22.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.586 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -78.15 -24.9 47.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.684 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.6 mt 46.02 66.77 0.87 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.355 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.435 ' C ' ' H ' ' A' ' 34' ' ' ASP . 95.5 mt -120.92 -41.97 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.312 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.0 m -74.02 44.26 0.18 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.539 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.435 ' H ' ' C ' ' A' ' 32' ' ' ILE . 17.6 t70 -45.61 -26.07 0.55 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.578 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -58.95 -36.94 75.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.563 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.9 -52.51 49.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.539 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 70.1 mm-40 -57.63 -50.56 72.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.575 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.35 -50.92 68.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.491 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -57.73 -59.0 5.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.583 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 17.4 mt -49.3 -43.36 43.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.517 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' A' ' 45' ' ' SER . . . -66.91 -53.61 30.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.561 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.7 mt -55.29 -33.06 62.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.59 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 60.1 ttt-85 -80.74 -40.29 25.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.506 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.437 ' O ' ' O ' ' A' ' 45' ' ' SER . 16.9 ttp85 -79.27 -15.66 57.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.326 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.479 ' N ' ' O ' ' A' ' 41' ' ' ALA . 60.2 m -54.05 -166.38 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.634 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.497 ' N ' ' CD2' ' A' ' 46' ' ' LEU . 3.8 mm? -57.24 -12.67 2.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.471 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -77.72 21.37 0.3 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.606 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.451 ' H ' ' C ' ' A' ' 46' ' ' LEU . 24.8 t -81.2 10.8 4.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.602 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -65.67 156.28 83.4 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.269 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -69.69 178.77 4.2 Favored 'Trans proline' 0 C--N 1.307 -1.607 0 C-N-CA 122.605 2.203 . . . . 0.0 111.968 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 33.9 m -106.64 126.93 62.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.576 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 21.8 t -91.24 137.7 32.16 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.546 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -133.1 109.96 9.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.583 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.419 ' OD1' ' O ' ' A' ' 54' ' ' ASN . 18.6 p30 -174.84 74.08 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.543 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -158.45 53.91 0.44 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.532 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 76.32 29.42 58.34 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 6.9 t -125.14 107.08 10.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.88 0.371 . . . . 0.0 110.558 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 59.5 mtm180 -116.03 150.41 45.04 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.34 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -68.55 179.73 2.89 Favored 'Trans proline' 0 N--CA 1.494 1.505 0 C-N-CA 122.516 2.144 . . . . 0.0 111.992 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 33.9 tptt -171.49 113.03 0.35 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.647 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.622 ' SD ' ' N ' ' A' ' 61' ' ' MET . 0.0 OUTLIER -81.04 145.92 30.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.702 -179.944 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.432 ' O ' ' N ' ' A' ' 65' ' ' GLN . 1.4 p -102.38 149.6 36.81 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.304 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -38.55 -37.22 0.7 Allowed 'Trans proline' 0 C--N 1.311 -1.41 0 C-N-CA 122.44 2.094 . . . . 0.0 112.206 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 60.1 tt0 -66.62 -40.43 88.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.571 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.432 ' N ' ' O ' ' A' ' 62' ' ' THR . 14.5 mm100 -56.26 -58.4 8.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.574 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 37.8 mtm -61.65 -53.78 51.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.611 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -49.74 -53.99 21.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.587 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 49.7 tttm -54.04 -51.82 62.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.549 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 88.4 mt-10 -55.35 -51.07 67.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.517 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 24.7 mtt -54.66 -63.31 1.19 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.574 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 31.4 m -52.99 -44.48 67.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.617 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.413 ' OE2' ' O ' ' A' ' 72' ' ' GLU . 5.0 tm-20 -60.52 -33.0 72.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.565 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -80.88 -53.43 6.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.543 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 34.6 mt -66.6 -13.22 60.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.61 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 8.3 t -160.26 145.31 14.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.663 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 88.7 mtt180 -79.51 -59.5 2.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.617 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.456 ' C ' ' H ' ' A' ' 79' ' ' ALA . . . -75.38 170.36 54.48 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -73.09 20.27 0.34 Allowed 'Trans proline' 0 C--N 1.305 -1.728 0 C-N-CA 122.862 2.375 . . . . 0.0 112.103 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.456 ' H ' ' C ' ' A' ' 77' ' ' GLY . . . . . . . . 0 C--O 1.22 -0.45 0 CA-C-O 118.012 -0.994 . . . . 0.0 110.551 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.726 0.298 . . . . 0.0 110.615 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -49.2 -60.34 2.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.642 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -50.47 -34.45 24.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.658 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.03 -67.11 0.48 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.794 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.2 p -58.53 -43.27 86.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.815 -179.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 84.1 mt -57.26 -58.88 6.3 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.394 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 -53.7 -48.74 69.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.41 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 53.5 tp60 -51.81 -43.07 62.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.392 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -65.78 -47.56 74.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.567 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 60.0 mtt-85 -50.99 -55.89 15.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.435 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 64.5 mtp85 -61.08 -57.61 11.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.518 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -40.51 -47.37 2.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.689 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -68.04 -53.08 28.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.534 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -54.57 -58.78 6.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.627 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.413 ' N ' ' CD1' ' A' ' 20' ' ' LEU . 9.8 mp -56.44 -61.05 2.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.486 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -43.61 -38.51 3.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.613 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 17.7 tp -68.81 -44.02 74.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.309 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 33.9 mtp85 -59.54 -54.01 51.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.385 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 16.0 mt -58.46 -46.21 89.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.499 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.43 -58.34 7.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.893 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.37 -23.05 66.88 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.111 -179.446 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 18.8 t -67.79 -61.13 2.02 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.908 0.385 . . . . 0.0 110.056 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -60.7 -39.84 89.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.981 179.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.75 -38.24 87.24 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.71 -179.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -85.26 -19.19 31.98 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.8 mt 50.97 68.47 0.78 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.025 0.441 . . . . 0.0 110.045 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.489 ' O ' ' C ' ' A' ' 33' ' ' SER . 96.2 mt -131.1 -51.97 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.484 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.489 ' C ' ' O ' ' A' ' 32' ' ' ILE . 0.8 OUTLIER 26.5 60.15 0.08 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.466 179.725 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -45.96 -38.22 7.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.656 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -47.19 -51.43 18.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.629 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.11 -53.99 45.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.616 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 81.9 mm-40 -52.39 -43.29 64.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.589 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.47 -51.22 69.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.603 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -54.59 -59.76 4.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.581 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 32.6 mt -52.0 -41.25 62.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.554 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.95 -58.74 7.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.596 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 17.5 mt -52.18 -37.74 55.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.51 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 63.1 ttt180 -70.51 -48.13 57.1 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.575 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 31.3 ttm-85 -59.88 -16.18 27.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.733 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 11.8 t -71.46 124.97 25.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.7 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.502 ' C ' ' H ' ' A' ' 48' ' ' SER . 7.2 tp -67.36 -33.11 74.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.498 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -72.33 14.77 0.21 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.595 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.502 ' H ' ' C ' ' A' ' 46' ' ' LEU . 7.7 t -66.93 -43.41 83.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.543 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -80.49 147.24 63.23 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.397 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -69.42 177.79 5.0 Favored 'Trans proline' 0 C--N 1.309 -1.521 0 C-N-CA 122.494 2.129 . . . . 0.0 111.956 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 9.3 m -87.26 140.98 14.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.567 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.3 t -84.8 139.46 31.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.565 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -133.14 144.84 50.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.514 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -73.29 97.89 2.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.605 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 51.0 t0 -81.18 5.85 15.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.482 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' A' ' 57' ' ' THR . . . 75.23 15.26 81.25 Favored Glycine 0 CA--C 1.521 0.43 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.413 ' O ' ' O ' ' A' ' 56' ' ' GLY . 17.2 p 39.38 93.13 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.863 0.363 . . . . 0.0 110.933 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.52 ' O ' ' O ' ' A' ' 59' ' ' PRO . 93.1 mtt180 -85.67 149.27 50.94 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.393 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.52 ' O ' ' O ' ' A' ' 58' ' ' ARG . 80.9 Cg_exo -40.33 174.58 0.0 OUTLIER 'Trans proline' 0 C--N 1.311 -1.416 0 C-N-CA 122.84 2.36 . . . . 0.0 112.35 179.684 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.4 mttp -106.03 39.38 1.8 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.261 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.602 ' SD ' ' N ' ' A' ' 61' ' ' MET . 0.0 OUTLIER -91.82 111.03 22.4 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.548 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 12.9 p -80.53 149.39 68.23 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.431 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -38.84 -44.54 2.4 Favored 'Trans proline' 0 C--N 1.31 -1.496 0 C-N-CA 122.666 2.244 . . . . 0.0 112.292 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.515 ' OE2' ' NZ ' ' A' ' 68' ' ' LYS . 3.9 tp10 -59.66 -48.72 80.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.717 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -55.39 -67.65 0.26 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.717 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.577 ' SD ' ' N ' ' A' ' 67' ' ' ALA . 3.2 ppp? -52.54 -30.22 29.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.79 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.577 ' N ' ' SD ' ' A' ' 66' ' ' MET . . . -72.96 -49.59 28.39 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.637 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.515 ' NZ ' ' OE2' ' A' ' 64' ' ' GLU . 47.4 mttp -67.29 -33.0 74.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.406 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 57.9 mm-40 -70.07 -59.01 3.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.757 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.469 ' CG ' ' N ' ' A' ' 71' ' ' SER . 9.3 ptt? -61.06 -42.49 98.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.651 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.469 ' N ' ' CG ' ' A' ' 70' ' ' MET . 70.0 m -60.74 -52.94 62.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.668 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -61.82 -31.63 71.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.674 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -76.58 -45.94 28.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.688 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.475 ' O ' ' N ' ' A' ' 76' ' ' ARG . 16.7 mt -78.09 -7.81 57.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.648 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.433 ' OG ' ' O ' ' A' ' 71' ' ' SER . 58.7 m -53.5 87.52 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.676 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.475 ' N ' ' O ' ' A' ' 74' ' ' LEU . 57.3 mtt-85 -80.79 -102.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.521 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -64.67 -67.33 2.08 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -72.65 152.76 53.91 Favored 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.812 2.341 . . . . 0.0 112.029 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.218 -0.562 0 CA-C-O 118.05 -0.976 . . . . 0.0 110.595 179.962 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 30.5 tp60 . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.872 0.368 . . . . 0.0 110.454 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 19.4 mm-40 -63.08 -60.47 3.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.472 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.422 ' O ' ' OE1' ' A' ' 12' ' ' GLU . 10.6 tp60 -50.15 -32.09 15.23 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.671 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.18 -63.51 1.05 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.066 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.7 p -64.16 -30.54 50.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.726 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 65.5 mt -67.82 -64.62 0.82 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.544 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.422 ' OE1' ' O ' ' A' ' 8' ' ' GLN . 7.8 pt-20 -56.22 -38.76 71.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.803 0.335 . . . . 0.0 110.589 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.41 ' N ' ' CG ' ' A' ' 12' ' ' GLU . 35.4 tp60 -61.48 -46.56 89.52 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.387 179.765 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 42.4 mm-40 -62.07 -52.93 61.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.286 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 37.5 mtp180 -50.84 -45.89 59.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.372 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 33.4 ttm180 -62.56 -58.67 6.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.475 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -42.37 -44.89 4.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.546 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 85.6 mtt180 -64.6 -51.72 61.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.396 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -47.26 -59.15 3.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.402 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.458 ' N ' ' CD1' ' A' ' 20' ' ' LEU . 8.6 mp -55.7 -62.77 1.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.225 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -40.61 -38.94 0.95 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.58 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.6 tp -67.02 -48.14 69.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.074 179.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 29.3 mtp180 -57.69 -57.46 12.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.012 179.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.498 ' O ' ' N ' ' A' ' 27' ' ' SER . 14.1 mt -49.26 -55.62 3.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.812 179.688 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -45.38 -49.94 12.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.011 179.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 62.1 mt-30 -66.52 -21.76 66.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.162 179.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.498 ' N ' ' O ' ' A' ' 24' ' ' ILE . 4.0 t -76.2 -48.81 19.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.129 179.791 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -69.26 -28.06 65.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.028 179.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -79.33 -38.15 35.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.791 -179.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -80.06 -25.15 40.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.885 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.1 mt 43.22 67.55 0.62 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.394 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.467 ' C ' ' H ' ' A' ' 34' ' ' ASP . 86.6 mt -117.1 -53.17 4.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.379 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 35' ' ' GLU . 5.4 m -76.03 39.42 0.18 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.509 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.467 ' H ' ' C ' ' A' ' 32' ' ' ILE . 9.9 t0 -45.05 -19.79 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.573 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 33' ' ' SER . 68.1 tt0 -61.22 -46.55 89.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.536 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.49 -50.11 74.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.531 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 81.0 mm-40 -54.49 -47.01 73.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.559 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.61 -57.82 11.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.356 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.414 ' OD1' ' O ' ' A' ' 35' ' ' GLU . 1.8 m-20 -48.16 -53.75 15.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.506 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.7 mt -55.56 -44.16 76.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.449 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.61 -51.3 70.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.606 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 33.7 mt -65.85 -39.04 90.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.537 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 45.0 ttm-85 -70.74 -24.92 62.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.477 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 45.0 ttt180 -80.02 -26.43 39.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.396 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 20.8 t -71.92 99.62 2.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.489 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.528 ' C ' ' H ' ' A' ' 48' ' ' SER . 5.5 tp -69.9 -24.95 63.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.509 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -74.76 24.83 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.586 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.528 ' H ' ' C ' ' A' ' 46' ' ' LEU . 8.4 t -63.07 -93.11 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.585 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.402 ' CD1' ' OG ' ' A' ' 48' ' ' SER . 0.1 OUTLIER -77.9 161.55 70.8 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.264 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -70.34 178.15 5.24 Favored 'Trans proline' 0 C--N 1.308 -1.567 0 C-N-CA 122.625 2.217 . . . . 0.0 112.014 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 70.0 t -86.41 114.35 25.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.589 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.9 m -107.11 107.99 19.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.597 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 83.5 mttt -87.0 110.03 19.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.591 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 10.6 m-20 -99.24 78.23 2.21 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.485 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -63.4 -11.22 21.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.615 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 77.13 21.98 72.27 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 16.3 p -148.75 87.59 1.57 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.812 0.339 . . . . 0.0 110.461 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 66.6 mtp180 -76.79 150.19 81.31 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.377 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_endo -69.58 -178.99 2.53 Favored 'Trans proline' 0 C--N 1.31 -1.484 0 C-N-CA 122.494 2.129 . . . . 0.0 111.972 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 39.4 pttt -135.93 126.19 26.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.595 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.561 ' SD ' ' N ' ' A' ' 61' ' ' MET . 0.0 OUTLIER -105.3 115.19 29.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.569 -179.945 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.9 p -78.59 150.55 76.33 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.283 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_exo -37.35 -40.1 0.71 Allowed 'Trans proline' 0 C--N 1.31 -1.451 0 C-N-CA 122.623 2.215 . . . . 0.0 112.35 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -66.97 -44.32 80.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.651 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -59.19 -64.4 0.95 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.733 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.598 ' SD ' ' N ' ' A' ' 67' ' ' ALA . 3.3 ppp? -54.77 -41.3 70.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.661 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.598 ' N ' ' SD ' ' A' ' 66' ' ' MET . . . -59.97 -46.2 90.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.529 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -63.85 -40.5 96.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.547 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -61.13 -54.8 39.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.541 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 67.6 mtp -56.11 -51.56 67.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.556 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 59.5 p -60.6 -37.24 80.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.591 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -73.54 -29.53 62.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.637 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 48.5 t80 -80.28 -65.57 0.99 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.696 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 38.2 mt -48.23 -38.63 18.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.496 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.5 t -103.28 -162.62 0.92 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.502 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 47.4 ttt85 -162.38 -53.06 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.525 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 165.64 61.41 0.03 OUTLIER Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 70.4 Cg_endo -76.05 57.1 5.09 Favored 'Trans proline' 0 C--N 1.306 -1.687 0 C-N-CA 122.82 2.347 . . . . 0.0 111.969 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 118.017 -0.992 . . . . 0.0 110.565 179.951 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.626 ' NE2' ' H1 ' ' A' ' 6' ' ' GLN . 2.0 pm0 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.845 0.355 . . . . 0.0 110.567 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 21.2 mm100 -42.94 -60.44 1.61 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.621 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.7 mm-40 -49.79 -33.04 15.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.701 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.7 -60.7 2.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.958 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.5 p -65.99 -29.32 46.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.735 -179.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 59.8 mt -69.52 -62.38 1.4 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.699 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -59.86 -38.28 81.69 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.669 -179.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 72.2 tp60 -64.46 -44.49 90.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.576 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -62.42 -52.06 65.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.582 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 15.4 mmm180 -56.85 -46.52 81.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.509 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 56.9 mtt-85 -67.46 -33.65 75.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.454 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -61.62 -60.64 3.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.764 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.4 ptp180 -61.11 -45.97 92.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.702 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -50.56 -63.3 1.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.427 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 8.9 mp -55.52 -59.03 5.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.314 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -45.81 -35.7 4.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.457 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.9 tp -73.8 -42.08 61.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.396 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 29.8 mtp85 -60.52 -47.18 87.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.465 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 19.0 mt -70.87 -39.94 75.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.506 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.58 -45.88 81.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.577 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 77.8 mm-40 -68.78 -36.86 78.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.54 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 31' ' ' LEU . 70.5 m -71.14 -57.3 4.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.734 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -58.72 -36.79 74.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.343 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.19 -38.98 75.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.142 179.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -79.56 -25.04 41.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.324 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' A' ' 27' ' ' SER . 3.4 tp 64.98 36.46 7.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.554 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.476 ' O ' ' C ' ' A' ' 33' ' ' SER . 96.7 mt -111.97 -48.58 6.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.556 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.476 ' C ' ' O ' ' A' ' 32' ' ' ILE . 0.7 OUTLIER 28.7 54.44 0.09 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.385 179.747 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -45.65 -27.83 0.87 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.637 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -55.46 -44.76 76.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.518 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.86 -46.67 89.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.555 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -56.45 -62.78 1.49 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.46 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -52.01 -47.72 64.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.599 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 52.1 t0 -54.04 -64.31 0.87 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.651 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 15.1 mt -46.18 -50.23 15.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.534 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.11 -44.66 87.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.558 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 17.7 mt -61.92 -33.6 74.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.493 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 44.9 ttt85 -78.64 -33.46 47.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.537 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 11.8 ttt180 -80.25 7.45 9.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.498 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.501 ' C ' ' H ' ' A' ' 47' ' ' ASP . 88.2 p -65.17 -20.13 66.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.936 -179.719 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -52.54 -9.67 0.12 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.311 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.501 ' H ' ' C ' ' A' ' 45' ' ' SER . 31.5 p30 -78.26 2.8 17.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.494 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 87.8 p -112.64 72.61 0.78 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.546 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.554 ' N ' ' CD1' ' A' ' 49' ' ' TYR . 0.1 OUTLIER -72.1 158.5 87.5 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.272 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_endo -70.17 177.77 5.52 Favored 'Trans proline' 0 C--N 1.308 -1.584 0 C-N-CA 122.531 2.154 . . . . 0.0 112.046 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.9 p -90.28 144.2 9.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.524 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 21.8 p -86.23 138.85 31.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.568 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.6 mtpm? -77.21 124.61 28.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.489 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.485 ' ND2' ' N ' ' A' ' 54' ' ' ASN . 1.6 m120 -66.63 102.99 0.99 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.694 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -82.21 22.24 0.84 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.523 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 81.78 10.63 83.91 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.424 ' H ' ' HG1' ' A' ' 57' ' ' THR . 15.4 p -81.21 68.48 7.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.881 0.372 . . . . 0.0 110.543 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 40.6 mtp85 -98.07 147.73 33.49 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.373 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -68.64 177.58 4.67 Favored 'Trans proline' 0 C--N 1.31 -1.497 0 C-N-CA 122.452 2.101 . . . . 0.0 112.021 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.1 ttmp? 74.77 101.62 0.07 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.328 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.557 ' SD ' ' N ' ' A' ' 61' ' ' MET . 0.9 OUTLIER -100.84 119.01 38.04 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.548 -179.909 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 16.6 p -79.76 146.87 65.55 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.346 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_exo -37.81 -40.97 1.06 Allowed 'Trans proline' 0 C--N 1.31 -1.494 0 C-N-CA 122.541 2.16 . . . . 0.0 112.223 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -67.24 -45.32 77.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.743 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -60.44 -62.84 1.57 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.621 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 18.9 ptm -54.18 -43.97 71.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.504 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -56.58 -47.48 79.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.49 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.413 ' NZ ' ' CB ' ' A' ' 68' ' ' LYS . 9.7 mtpm? -66.83 -60.13 2.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.516 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 73' ' ' PHE . 88.4 mt-10 -47.09 -49.74 21.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.489 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 28.8 mtt -57.52 -61.24 2.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.51 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 40.8 m -54.84 -31.52 59.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.511 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -80.32 -30.64 38.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.575 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.45 ' N ' ' O ' ' A' ' 69' ' ' GLU . 33.9 t80 -78.54 -48.81 14.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.544 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 19.2 mt -57.77 -32.9 67.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.47 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 92.0 p -46.58 148.32 1.01 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.532 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 15.8 tpp180 -165.21 127.31 2.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.625 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 53.82 70.13 1.03 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -47.26 129.16 15.46 Favored 'Trans proline' 0 C--N 1.306 -1.7 0 C-N-CA 122.775 2.317 . . . . 0.0 112.133 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.52 0 CA-C-O 118.037 -0.983 . . . . 0.0 110.612 -179.996 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.808 0.337 . . . . 0.0 110.698 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -50.84 -60.28 3.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.537 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.2 mm-40 -48.34 -35.52 12.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.686 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.0 -67.1 0.47 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.791 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.4 p -58.7 -46.51 90.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.563 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 83.5 mt -52.44 -59.32 4.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.804 0.335 . . . . 0.0 110.311 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 51.8 mm-40 -54.62 -47.33 73.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.527 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 29.4 tp60 -54.38 -44.01 71.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.417 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -62.94 -42.55 99.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.185 179.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 18.2 mmm-85 -57.09 -43.72 82.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.213 179.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 23.6 mmt180 -66.54 -63.72 1.01 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.462 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -41.4 -43.64 2.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.879 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.6 mmp_? -68.11 -48.21 66.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.774 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -60.31 -49.77 76.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.885 0.374 . . . . 0.0 110.361 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.6 mt -57.59 -62.51 1.74 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.416 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -47.92 -37.28 13.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.568 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.5 tp -68.29 -38.17 81.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.52 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 39.8 mtp180 -66.42 -47.79 72.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.503 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 37.5 mt -64.59 -38.42 82.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.541 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.3 -45.73 86.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.584 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -69.72 -31.56 69.64 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.382 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 9.3 t -74.16 -54.63 7.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.576 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -64.08 -31.65 72.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.455 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -74.15 -43.34 57.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.599 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -75.96 -24.88 55.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.516 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.2 tp 49.43 42.59 22.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.836 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.449 ' O ' ' N ' ' A' ' 34' ' ' ASP . 62.1 mt -97.06 -14.53 7.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.393 179.781 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.6 m -66.69 66.83 0.06 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.536 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 32' ' ' ILE . 2.8 p30 -55.55 -37.78 68.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.595 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -44.92 -42.4 8.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.571 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.07 -45.96 89.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.556 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -58.42 -45.94 87.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.593 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.12 -54.26 47.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.488 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -53.31 -64.86 0.68 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.608 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 12.6 mt -44.58 -50.44 9.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.572 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.35 -41.9 80.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.344 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 15.1 mt -69.21 -21.34 63.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.373 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 34.2 ttm180 -79.86 -57.8 3.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.425 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.1 ptp85 -64.2 -18.46 64.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.662 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 25.9 t -43.81 148.61 0.36 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.72 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.558 ' C ' ' H ' ' A' ' 48' ' ' SER . 4.1 tp -70.27 -15.91 62.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.555 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 50.3 p-10 -71.07 18.89 0.06 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.711 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.558 ' H ' ' C ' ' A' ' 46' ' ' LEU . 35.4 t -124.61 8.83 8.3 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.44 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -73.21 155.87 89.7 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.211 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -69.43 177.65 5.15 Favored 'Trans proline' 0 C--N 1.308 -1.563 0 C-N-CA 122.501 2.134 . . . . 0.0 112.004 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 52.9 t -117.3 131.24 70.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.371 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.9 m -75.77 138.41 41.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.58 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 61.5 mttt -132.94 162.63 31.12 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.49 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 38.0 t-20 -60.5 100.4 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.598 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -79.54 -48.31 14.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.5 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 80.53 35.37 26.05 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -69.09 92.38 0.53 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.854 0.359 . . . . 0.0 110.587 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 44.7 mtp180 -68.32 146.65 98.03 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.317 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -69.22 177.71 4.94 Favored 'Trans proline' 0 N--CA 1.494 1.528 0 C-N-CA 122.437 2.092 . . . . 0.0 111.964 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 50.0 pttt -111.26 161.0 16.47 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.579 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 12.2 tpp -109.02 151.59 26.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.434 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.2 p -87.26 134.72 35.84 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.601 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_exo -41.87 -37.34 4.09 Favored 'Trans proline' 0 N--CA 1.491 1.347 0 C-N-CA 122.349 2.032 . . . . 0.0 112.205 179.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 48.7 tt0 -59.1 -56.77 17.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.57 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -52.41 -62.89 1.35 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.567 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 37.7 mtm -47.49 -50.07 24.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.489 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -52.26 -55.24 22.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.517 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.4 mtpm? -62.71 -57.96 9.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.552 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -44.97 -47.79 11.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.471 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 33.3 mtt -61.41 -54.71 39.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.466 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 24.2 p -50.22 -42.62 51.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.643 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -73.67 -30.3 62.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.526 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 62.3 t80 -75.33 -60.99 2.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.608 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 34.0 mt -49.25 -21.48 0.83 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.401 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 10.7 t -78.21 -145.95 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.509 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.522 ' N ' ' CD ' ' A' ' 76' ' ' ARG . 1.3 mpt_? -78.14 -61.85 1.87 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.514 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 61.53 172.18 1.09 Allowed Glycine 0 CA--C 1.526 0.776 0 N-CA-C 110.861 -0.896 . . . . 0.0 110.861 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -74.03 105.68 2.07 Favored 'Trans proline' 0 C--N 1.306 -1.675 0 C-N-CA 122.797 2.331 . . . . 0.0 112.042 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 118.032 -0.985 . . . . 0.0 110.558 -179.998 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.831 0.348 . . . . 0.0 110.456 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -45.94 -59.99 2.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.543 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -49.19 -35.34 16.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.687 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.77 -66.92 0.49 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.1 p -57.87 -45.1 87.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.687 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 78.9 mt -54.92 -56.36 20.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.35 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -56.21 -47.16 78.94 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.532 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 49.3 tp60 -53.66 -41.29 66.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.511 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -67.02 -51.95 48.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.441 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 10.5 mmm180 -49.66 -57.09 7.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.43 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 56.9 ttt180 -60.71 -55.44 33.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.522 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -43.92 -46.61 8.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.706 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 -64.53 -52.96 55.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.647 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -47.08 -63.3 1.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.584 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.484 ' N ' ' CD1' ' A' ' 20' ' ' LEU . 8.5 mp -55.76 -62.79 1.46 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.427 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -41.69 -40.81 2.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.574 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.4 tp -67.25 -41.84 84.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.353 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.415 ' N ' ' O ' ' A' ' 20' ' ' LEU . 31.8 mtp85 -62.53 -46.28 89.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.43 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 32.6 mt -64.32 -38.78 83.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.409 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.5 -53.46 54.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.612 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -62.75 -32.03 73.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.499 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 16.5 t -74.26 -58.17 3.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.691 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.517 ' O ' ' CD2' ' A' ' 31' ' ' LEU . 1.5 pp20? -62.88 -20.82 65.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.672 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -87.74 -36.34 17.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.922 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -91.75 -20.42 21.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.053 -179.619 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.517 ' CD2' ' O ' ' A' ' 28' ' ' GLU . 3.0 mm? 54.58 25.06 5.91 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.635 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 55.1 mt -82.26 -37.34 14.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.326 179.619 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 58.1 m -83.62 49.68 1.64 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.491 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -59.31 -27.11 65.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.628 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.43 ' CG ' ' N ' ' A' ' 36' ' ' ALA . 14.9 pt-20 -58.06 -42.9 86.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.493 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.43 ' N ' ' CG ' ' A' ' 35' ' ' GLU . . . -63.11 -60.6 3.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.465 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 90.1 mm-40 -48.66 -50.24 33.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.51 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -53.98 -65.49 0.56 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.437 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.428 ' O ' ' N ' ' A' ' 43' ' ' ARG . 26.6 t70 -45.73 -51.74 12.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.54 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 20.2 mt -55.78 -40.28 72.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.428 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.13 -52.94 29.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.714 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 40.3 mt -68.61 -20.76 64.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.502 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.428 ' N ' ' O ' ' A' ' 39' ' ' ASP . 63.1 ttt180 -82.44 -52.96 6.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.567 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 28.3 ptt85 -67.98 -5.15 15.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.533 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.9 p -43.5 130.65 5.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.485 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.41 -43.66 92.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.373 -179.759 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.683 ' O ' ' N ' ' A' ' 49' ' ' TYR . 8.9 m-20 -61.84 -30.51 70.89 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.283 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.519 ' OG ' ' CE1' ' A' ' 49' ' ' TYR . 27.9 t 40.33 -80.34 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.116 179.83 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.683 ' N ' ' O ' ' A' ' 47' ' ' ASP . 0.4 OUTLIER -105.67 149.51 38.0 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.275 -179.876 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -68.47 179.07 3.24 Favored 'Trans proline' 0 N--CA 1.494 1.505 0 C-N-CA 122.417 2.078 . . . . 0.0 111.854 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.7 p -77.71 152.57 5.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.643 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.5 p -131.17 130.44 43.03 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.468 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 51.2 mttp -73.02 170.05 15.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.564 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.53 ' C ' ' H ' ' A' ' 56' ' ' GLY . 23.4 m-20 60.62 23.66 13.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.566 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.5 t70 68.61 -10.19 0.49 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.589 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.53 ' H ' ' C ' ' A' ' 54' ' ' ASN . . . 83.47 19.61 61.81 Favored Glycine 0 CA--C 1.522 0.505 0 N-CA-C 110.474 -1.05 . . . . 0.0 110.474 -179.741 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.5 m -38.66 96.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.853 0.359 . . . . 0.0 110.941 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.517 ' O ' ' O ' ' A' ' 59' ' ' PRO . 41.5 mtm180 -85.01 148.26 50.17 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.203 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.517 ' O ' ' O ' ' A' ' 58' ' ' ARG . 81.1 Cg_exo -40.19 175.09 0.0 OUTLIER 'Trans proline' 0 C--N 1.311 -1.419 0 C-N-CA 122.74 2.293 . . . . 0.0 112.45 179.616 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 17.6 pttp -102.28 -170.26 1.79 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.529 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 14.3 ptt? -122.66 123.24 40.68 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.575 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.494 ' O ' ' N ' ' A' ' 65' ' ' GLN . 1.4 p -80.91 149.52 67.18 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.309 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_exo -37.98 -37.84 0.65 Allowed 'Trans proline' 0 C--N 1.311 -1.419 0 C-N-CA 122.495 2.13 . . . . 0.0 112.185 179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 75.9 tt0 -67.66 -36.13 80.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.408 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.494 ' N ' ' O ' ' A' ' 62' ' ' THR . 21.1 mm100 -63.92 -65.98 0.61 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.562 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 2.4 ptp -55.89 -39.71 71.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.492 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -56.88 -48.86 77.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.622 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 50.7 tttm -65.63 -53.99 33.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.534 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -55.19 -51.41 66.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.634 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 51.3 mtp -56.2 -63.49 1.17 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.607 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 14.3 t -48.75 -32.33 8.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.522 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -72.43 -39.7 67.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.559 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -67.7 -50.27 58.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.614 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.413 ' O ' ' O ' ' A' ' 75' ' ' SER . 33.7 mt -63.12 -22.71 67.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.444 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.413 ' O ' ' O ' ' A' ' 74' ' ' LEU . 11.3 t 48.61 98.65 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.658 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 37.9 mmm-85 -57.77 -32.49 67.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.559 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.04 59.43 3.66 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -73.93 122.22 7.53 Favored 'Trans proline' 0 C--N 1.306 -1.677 0 C-N-CA 122.805 2.337 . . . . 0.0 112.034 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.511 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.591 179.98 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.849 0.357 . . . . 0.0 110.545 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 62.9 mm-40 -42.95 -60.21 1.7 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.641 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 -50.04 -37.11 31.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.595 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.71 -67.09 0.47 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.797 -179.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.2 p -56.95 -47.58 83.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.746 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 86.4 mt -53.39 -60.48 3.24 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.904 -0.318 . . . . 0.0 110.469 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -54.25 -42.15 69.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.557 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 62.6 tp60 -62.98 -46.88 85.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.586 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -58.45 -56.4 22.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.516 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 76.0 mtt180 -50.78 -54.03 26.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.473 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 27.7 ttp180 -58.74 -50.43 73.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.62 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -47.63 -50.87 23.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.577 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 51.6 mtm180 -62.15 -48.46 79.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.636 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -49.13 -65.86 0.5 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.556 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.48 ' N ' ' CD1' ' A' ' 20' ' ' LEU . 8.4 mp -54.19 -60.58 3.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.529 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -41.78 -38.17 1.42 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.552 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.7 tp -71.56 -44.3 64.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.384 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.0 mtm180 -60.5 -51.19 70.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.455 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 17.2 mt -63.18 -42.41 96.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.372 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.25 -42.4 99.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.492 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 87.1 mm-40 -72.2 -32.4 66.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.361 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.7 t -72.06 -55.12 7.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.46 179.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.405 ' CD ' ' N ' ' A' ' 29' ' ' ALA . 2.0 pp20? -62.79 -37.28 86.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.3 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.405 ' N ' ' CD ' ' A' ' 28' ' ' GLU . . . -67.15 -43.9 81.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.378 179.805 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.2 mm-40 -76.03 -25.07 55.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.295 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.2 tp 69.95 40.7 1.23 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.63 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.503 ' O ' ' C ' ' A' ' 33' ' ' SER . 87.5 mt -104.15 -58.12 4.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.455 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.503 ' C ' ' O ' ' A' ' 32' ' ' ILE . 0.7 OUTLIER 26.21 56.01 0.05 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.473 179.716 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.414 ' N ' ' OD1' ' A' ' 34' ' ' ASP . 25.4 p-10 -44.86 -36.42 3.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.655 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 45.4 tp10 -47.82 -54.06 13.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.607 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.18 -54.54 20.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.612 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 67.3 mm-40 -54.26 -59.92 4.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.602 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.1 -56.92 10.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.575 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -46.74 -66.29 0.43 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.551 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 17.3 mt -48.08 -47.98 33.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.497 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.89 -40.01 79.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.592 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 16.8 mt -75.84 -20.09 58.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.522 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 26.9 ttm105 -77.51 -42.48 35.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.477 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -80.94 0.96 33.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.627 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 97.7 p -45.43 118.36 1.72 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.573 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.456 ' CD2' ' H ' ' A' ' 46' ' ' LEU . 0.1 OUTLIER -77.72 -48.74 15.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.494 -179.916 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 35.3 t0 -66.56 -17.9 65.07 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.552 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.416 ' O ' ' OG ' ' A' ' 48' ' ' SER . 15.9 t 50.79 31.78 6.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.559 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 18.1 p90 -70.33 146.27 94.19 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.277 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -69.22 177.26 5.38 Favored 'Trans proline' 0 C--N 1.311 -1.434 0 C-N-CA 122.432 2.088 . . . . 0.0 112.081 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 74.3 t -100.26 112.77 33.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.536 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 45.7 t -78.25 107.82 11.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.483 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.402 ' O ' ' OD1' ' A' ' 54' ' ' ASN . 10.8 pttp -101.27 169.89 8.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.616 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.402 ' OD1' ' O ' ' A' ' 53' ' ' LYS . 8.0 m120 -153.1 70.41 0.87 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.508 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -44.01 -30.54 0.74 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.562 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 71.51 31.04 65.89 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.836 -0.906 . . . . 0.0 110.836 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 17.0 p -148.18 75.37 1.33 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.881 0.372 . . . . 0.0 110.457 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 60.6 mtt-85 -61.94 147.45 89.88 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.403 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -68.93 -178.93 2.24 Favored 'Trans proline' 0 N--CA 1.494 1.517 0 C-N-CA 122.457 2.105 . . . . 0.0 111.931 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 46.7 pttt -141.26 162.29 35.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.504 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -79.91 127.41 32.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.341 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.8 p -88.89 148.3 40.98 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.516 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -40.15 -42.76 3.57 Favored 'Trans proline' 0 C--N 1.311 -1.405 0 C-N-CA 122.475 2.117 . . . . 0.0 112.087 179.658 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -64.95 -51.86 59.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.549 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -47.5 -53.99 12.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.523 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 60.5 mtm -63.39 -49.47 73.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.461 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -48.01 -50.42 27.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.546 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 62.9 tttt -64.31 -53.83 42.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.615 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -49.28 -47.95 46.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.589 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 56.7 mtt -61.96 -64.1 1.04 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.62 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 18.2 t -46.36 -35.94 5.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.643 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -79.15 -34.08 43.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.62 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -69.32 -56.93 6.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.6 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.413 ' C ' ' H ' ' A' ' 76' ' ' ARG . 47.4 mt -49.61 -33.89 16.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.611 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.8 t -80.89 31.42 0.31 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.541 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.413 ' H ' ' C ' ' A' ' 74' ' ' LEU . 48.5 ttt180 -153.11 -15.69 0.15 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.544 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -43.46 -59.28 3.66 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -46.91 158.99 0.36 Allowed 'Trans proline' 0 C--N 1.306 -1.688 0 C-N-CA 122.818 2.346 . . . . 0.0 112.101 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 118.028 -0.986 . . . . 0.0 110.563 179.984 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.835 0.35 . . . . 0.0 110.552 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 23.0 mm100 -45.64 -60.5 2.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.627 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.8 tp60 -48.44 -33.88 10.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.883 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.61 -64.41 0.87 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.969 -179.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 5.0 p -62.13 -30.61 49.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.723 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 59.0 mt -68.18 -66.63 0.54 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.598 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -56.22 -35.29 67.16 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.553 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 66.0 tp60 -63.87 -46.77 83.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.393 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -66.96 -56.68 9.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.534 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 77.6 mtt180 -48.3 -48.88 35.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.476 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 57.1 ttt180 -60.89 -62.05 2.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.57 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 36.5 t0 -41.56 -54.03 3.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.651 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 85.6 mtt-85 -56.35 -54.27 47.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.519 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -48.49 -67.75 0.24 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.534 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.412 ' N ' ' CD1' ' A' ' 20' ' ' LEU . 9.9 mp -45.18 -63.93 0.83 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.486 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -45.96 -36.94 5.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.629 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.2 tp -72.07 -40.09 68.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.527 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 25.1 mtm180 -63.76 -47.98 78.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.485 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 25.1 mt -67.79 -38.56 80.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.594 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.28 -44.37 71.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.639 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 77.4 mm-40 -67.03 -36.61 82.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.745 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.426 ' O ' ' N ' ' A' ' 31' ' ' LEU . 37.9 t -71.29 -57.92 4.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.755 -179.848 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -59.95 -31.85 70.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.584 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.74 -45.77 60.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.59 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -79.35 -25.23 42.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.664 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 27' ' ' SER . 5.2 tp 48.8 40.3 15.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.822 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 64.5 mt -98.11 -59.85 3.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.874 0.369 . . . . 0.0 110.516 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.2 m -71.33 50.04 0.15 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.689 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -49.02 -30.04 5.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.373 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -54.07 -51.94 62.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.413 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.66 -60.59 3.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.478 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.405 ' N ' ' OE1' ' A' ' 37' ' ' GLN . 3.3 mm100 -44.93 -46.85 11.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.475 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.25 -45.25 93.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.539 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -59.38 -65.98 0.58 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.612 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.413 ' N ' ' CD1' ' A' ' 40' ' ' LEU . 10.2 mp -45.14 -44.86 11.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.399 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.97 -45.33 93.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.547 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 13.3 mt -67.23 -40.6 86.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.41 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 51.4 ttm-85 -67.43 -30.6 70.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.487 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 47.6 ttt180 -85.98 -38.07 18.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.409 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 66.4 m -98.85 78.47 2.31 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.569 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.576 ' C ' ' H ' ' A' ' 48' ' ' SER . 3.2 tp -70.35 -11.5 60.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.417 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -64.84 10.1 0.08 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.808 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.576 ' H ' ' C ' ' A' ' 46' ' ' LEU . 29.4 t -41.33 -49.83 3.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.644 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -79.34 146.9 67.45 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.406 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_endo -70.01 119.71 6.59 Favored 'Trans proline' 0 C--N 1.31 -1.461 0 C-N-CA 122.432 2.088 . . . . 0.0 111.912 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 75.5 t -81.46 131.9 32.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.528 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 40.0 m -131.13 122.96 27.57 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.478 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.469 ' NZ ' ' CB ' ' A' ' 53' ' ' LYS . 2.4 ttmp? -83.83 146.49 28.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.486 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -76.19 88.2 3.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.504 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.434 ' OD1' ' O ' ' A' ' 55' ' ' ASP . 34.3 t0 -56.99 -28.17 62.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.617 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 79.93 41.3 12.63 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -151.28 119.87 6.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.851 0.358 . . . . 0.0 110.46 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 85.9 mtm180 -82.45 147.59 56.65 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.487 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -69.19 -179.07 2.41 Favored 'Trans proline' 0 C--N 1.309 -1.511 0 C-N-CA 122.516 2.144 . . . . 0.0 111.905 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 22.0 tptt -115.2 112.31 22.3 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.583 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.569 ' SD ' ' N ' ' A' ' 61' ' ' MET . 4.1 mpp? -92.96 127.54 38.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.462 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.421 ' O ' ' N ' ' A' ' 65' ' ' GLN . 40.7 p -79.18 147.74 69.84 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.352 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 80.4 Cg_exo -38.25 -39.26 0.98 Allowed 'Trans proline' 0 C--N 1.31 -1.462 0 C-N-CA 122.457 2.105 . . . . 0.0 112.242 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -63.59 -40.36 96.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.655 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.421 ' N ' ' O ' ' A' ' 62' ' ' THR . 28.4 mt-30 -65.91 -67.54 0.44 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.62 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 6.0 ptm -49.69 -42.64 46.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.628 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.22 -61.98 2.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.593 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -46.45 -50.0 17.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.492 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.503 ' O ' ' N ' ' A' ' 73' ' ' PHE . 27.1 mm-40 -57.35 -58.23 9.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.637 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 54.4 mtt -48.75 -53.46 18.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.516 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.7 t -56.86 -38.6 72.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.535 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -79.76 -22.66 42.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.566 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.503 ' N ' ' O ' ' A' ' 69' ' ' GLU . 35.0 t80 -82.11 -59.64 2.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.591 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 22.5 mt -48.18 -14.16 0.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.428 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.477 ' H ' ' C ' ' A' ' 73' ' ' PHE . 69.9 m -59.65 137.98 57.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.513 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 62.9 mtt85 -68.2 0.01 4.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.643 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -165.24 174.64 41.12 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -73.15 79.78 1.99 Allowed 'Trans proline' 0 C--N 1.306 -1.672 0 C-N-CA 122.758 2.305 . . . . 0.0 112.041 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.43 0 CA-C-O 117.969 -1.015 . . . . 0.0 110.539 -179.998 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.864 0.364 . . . . 0.0 110.598 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -47.16 -60.37 2.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.506 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.3 mm100 -47.38 -30.55 3.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.698 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.3 -62.96 1.25 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.642 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.5 p -62.38 -31.49 51.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.498 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 79.3 mt -68.91 -51.86 35.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.28 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.6 mm-40 -63.6 -35.28 80.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.576 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 66.6 tp60 -70.67 -39.71 73.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.612 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 79.8 mt-10 -66.25 -58.56 5.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.553 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.469 ' CG ' ' N ' ' A' ' 16' ' ' ARG . 5.8 ptm180 -57.55 -44.78 85.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.37 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.469 ' N ' ' CG ' ' A' ' 15' ' ' ARG . 41.2 ttm180 -63.3 -51.09 67.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.337 179.816 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -48.86 -48.74 41.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.412 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 23.7 mmt180 -60.97 -51.71 68.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.472 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 54.8 mm-40 -46.28 -58.43 3.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.605 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.9 mp -58.54 -66.11 0.54 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.361 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -40.76 -36.65 0.65 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.668 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.9 tp -67.38 -52.55 38.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.286 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 33.9 mtp180 -53.29 -57.52 10.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.193 179.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 10.8 mt -50.96 -56.79 3.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.121 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -48.46 -44.98 36.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.288 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 94.2 mm-40 -69.19 -22.43 63.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.736 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.488 ' O ' ' N ' ' A' ' 31' ' ' LEU . 31.5 t -77.91 -51.16 10.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.872 0.367 . . . . 0.0 110.294 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -68.69 -27.71 66.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.791 179.516 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -78.37 -41.69 32.59 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.699 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -87.73 -26.03 23.13 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.739 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.488 ' N ' ' O ' ' A' ' 27' ' ' SER . 7.1 mt 44.24 49.81 7.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.795 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.5 ' CG2' ' N ' ' A' ' 33' ' ' SER . 91.0 mt -102.21 -105.32 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.144 179.582 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.5 ' N ' ' CG2' ' A' ' 32' ' ' ILE . 2.4 p -130.99 9.19 4.85 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.958 0.408 . . . . 0.0 110.302 179.701 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -49.17 -14.56 0.09 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.038 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.476 ' H ' ' C ' ' A' ' 33' ' ' SER . 16.6 pt-20 -60.53 -44.13 96.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.342 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.468 ' N ' ' CG ' ' A' ' 35' ' ' GLU . . . -53.41 -48.46 68.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.208 179.729 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -63.56 -60.03 3.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.478 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -47.18 -50.22 21.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.392 179.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -56.22 -52.57 63.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.474 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.524 ' CD2' HH22 ' A' ' 43' ' ' ARG . 10.2 mt -50.49 -51.48 46.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.36 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.47 -34.97 76.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.683 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 13.7 mt -72.62 -38.78 67.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.661 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.524 HH22 ' CD2' ' A' ' 40' ' ' LEU . 20.0 ttp-105 -75.86 -45.35 36.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.588 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 33.0 ttt180 -59.85 -16.22 27.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.484 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.3 t -87.85 95.5 10.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.472 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.542 ' N ' ' CD2' ' A' ' 46' ' ' LEU . 3.5 mm? -71.14 -14.89 62.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.385 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -71.54 3.47 3.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.575 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.452 ' OG ' ' N ' ' A' ' 49' ' ' TYR . 93.6 p -45.25 -71.23 0.08 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.491 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.452 ' N ' ' OG ' ' A' ' 48' ' ' SER . 3.0 m-85 -73.42 153.9 89.96 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.174 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -68.29 119.76 6.75 Favored 'Trans proline' 0 C--N 1.309 -1.551 0 C-N-CA 122.562 2.175 . . . . 0.0 111.861 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 14.5 p -74.81 130.12 36.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.606 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 27.3 p -81.91 161.47 23.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.499 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 77.1 mttt -133.04 150.88 52.09 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.518 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 47.56 65.93 1.15 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.542 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -122.64 16.68 10.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.527 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 79.75 18.92 71.83 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -169.84 92.1 0.22 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.862 0.363 . . . . 0.0 110.575 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 16.1 mtp-105 -79.23 150.3 74.0 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.284 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -66.79 -178.97 1.44 Allowed 'Trans proline' 0 C--N 1.309 -1.513 0 C-N-CA 122.492 2.128 . . . . 0.0 111.952 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -131.71 129.58 40.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.511 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.587 ' SD ' ' N ' ' A' ' 61' ' ' MET . 2.8 mpp? -82.35 139.56 34.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.527 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.418 ' H ' ' HG1' ' A' ' 62' ' ' THR . 0.6 OUTLIER -76.64 156.19 83.06 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.166 179.849 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_endo -57.55 -41.1 74.96 Favored 'Trans proline' 0 C--N 1.309 -1.509 0 C-N-CA 122.56 2.173 . . . . 0.0 111.907 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 49.7 tt0 -64.19 -36.33 83.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.575 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -67.15 -67.89 0.42 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.472 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 11.5 ptm -48.48 -42.32 32.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.451 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.09 -51.81 68.45 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.45 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 12.5 tptp -57.19 -50.5 72.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.377 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -51.68 -45.71 63.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.426 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 4.1 mmt -58.64 -57.31 13.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.447 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 23.1 t -54.03 -28.38 38.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.407 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 86.0 mt-10 -84.25 -36.54 22.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.572 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -71.76 -32.12 67.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.628 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.414 ' O ' ' OG ' ' A' ' 75' ' ' SER . 15.3 mt -77.61 -17.49 57.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.454 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.414 ' OG ' ' O ' ' A' ' 74' ' ' LEU . 3.8 p 69.28 164.9 0.25 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.605 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -78.15 -111.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.556 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.542 ' C ' ' H ' ' A' ' 79' ' ' ALA . . . -81.05 -174.57 49.03 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -50.28 -5.5 0.07 OUTLIER 'Trans proline' 0 C--N 1.306 -1.681 0 C-N-CA 122.85 2.366 . . . . 0.0 112.129 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.542 ' H ' ' C ' ' A' ' 77' ' ' GLY . . . . . . . . 0 C--O 1.22 -0.449 0 CA-C-O 118.035 -0.984 . . . . 0.0 110.561 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.953 0.406 . . . . 0.0 110.279 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 28.1 mm100 -46.19 -60.12 2.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.458 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.2 mm-40 -46.89 -34.42 5.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.639 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.41 -65.16 0.75 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.812 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.4 p -60.99 -29.79 46.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.734 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 53.7 mt -67.17 -58.8 4.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.353 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -61.29 -35.43 77.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.559 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 35.2 tp60 -70.74 -37.4 73.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.732 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -67.12 -57.29 7.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.481 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.429 ' CG ' ' N ' ' A' ' 16' ' ' ARG . 11.3 ptm180 -58.76 -42.91 90.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.381 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.429 ' N ' ' CG ' ' A' ' 15' ' ' ARG . 21.5 ttm180 -66.62 -53.47 33.87 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.298 179.62 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -47.4 -45.04 24.93 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.317 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 40.5 mtt-85 -63.99 -55.44 22.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.287 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -43.6 -61.23 1.46 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.509 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.459 ' N ' ' CD1' ' A' ' 20' ' ' LEU . 8.8 mp -57.73 -61.91 2.18 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.314 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -44.66 -34.19 2.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.581 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.4 tp -69.92 -47.64 61.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.242 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 27.5 mtp180 -58.18 -58.39 8.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.058 179.584 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.47 ' O ' ' N ' ' A' ' 27' ' ' SER . 11.8 mt -52.74 -58.22 3.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.975 179.736 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -45.93 -44.23 14.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.246 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -70.8 -23.92 62.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.479 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.502 ' O ' ' N ' ' A' ' 31' ' ' LEU . 10.2 t -74.8 -48.97 22.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.133 179.793 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -68.38 -34.09 75.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.831 179.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.46 -39.39 70.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.608 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.621 ' O ' ' N ' ' A' ' 32' ' ' ILE . 49.5 mt-10 -89.36 -24.36 21.98 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.742 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.502 ' N ' ' O ' ' A' ' 27' ' ' SER . 0.9 OUTLIER 31.52 27.42 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.899 -179.844 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.621 ' N ' ' O ' ' A' ' 30' ' ' GLU . 25.6 mt -118.91 -19.48 5.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.252 179.548 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.9 p -72.17 58.35 0.37 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.545 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.0 p-10 -53.18 -37.21 61.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.504 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 65.4 tt0 -43.79 -38.45 3.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.674 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.48 -54.53 42.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.563 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 55.7 mm-40 -60.47 -43.86 96.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.555 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.01 -51.85 67.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.547 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.497 ' O ' ' N ' ' A' ' 43' ' ' ARG . 52.4 m-20 -58.67 -55.0 40.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.552 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 14.9 mt -52.28 -42.88 64.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.526 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.73 -44.15 78.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.541 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 18.2 mt -74.43 -21.14 59.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.446 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.497 ' N ' ' O ' ' A' ' 39' ' ' ASP . 49.4 ttp180 -78.24 -48.04 16.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.514 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -71.63 -28.36 63.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.556 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.474 ' C ' ' N ' ' A' ' 47' ' ' ASP . 46.4 m -69.84 84.89 0.48 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.533 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.472 ' C ' ' H ' ' A' ' 48' ' ' SER . 3.9 tp -45.8 -16.67 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.571 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.474 ' N ' ' C ' ' A' ' 45' ' ' SER . 13.0 t70 -74.53 14.25 0.5 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.57 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.472 ' H ' ' C ' ' A' ' 46' ' ' LEU . 11.9 p -80.79 -27.92 36.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.579 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 62.3 m-85 -62.59 150.45 86.21 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.406 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_exo -41.97 119.49 1.21 Allowed 'Trans proline' 0 C--N 1.313 -1.34 0 C-N-CA 122.357 2.038 . . . . 0.0 112.023 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.7 m -84.18 102.94 10.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.477 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.7 p -101.81 138.52 38.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.504 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 43.6 pttt -133.08 136.83 46.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.575 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 16.2 t30 46.26 47.7 13.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.523 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -157.58 75.95 0.8 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.503 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 100.78 -18.02 55.57 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 11.4 m 45.1 71.58 0.26 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.821 0.343 . . . . 0.0 110.648 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 78.8 mtt-85 -60.73 146.81 85.58 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.484 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -68.65 -178.9 2.12 Favored 'Trans proline' 0 N--CA 1.494 1.504 0 C-N-CA 122.351 2.034 . . . . 0.0 111.928 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 28.1 tttm -150.95 113.35 4.62 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.557 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.427 ' SD ' ' NE2' ' A' ' 65' ' ' GLN . 6.4 tpp -85.41 130.89 34.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.347 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 7.7 p -87.58 148.22 43.56 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.644 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -41.52 -49.28 5.2 Favored 'Trans proline' 0 C--N 1.311 -1.402 0 C-N-CA 122.509 2.14 . . . . 0.0 112.215 179.677 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -54.97 -54.08 47.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.594 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.427 ' NE2' ' SD ' ' A' ' 61' ' ' MET . 24.4 mt-30 -51.18 -50.21 59.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.609 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 27.8 mtm -61.53 -35.58 78.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.659 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.449 ' O ' ' OG ' ' A' ' 71' ' ' SER . . . -63.91 -57.78 8.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.733 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 38.9 tttm -58.56 -38.64 78.29 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.689 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -67.13 -59.2 3.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.025 -179.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.468 ' CG ' ' N ' ' A' ' 71' ' ' SER . 4.2 ptt? -64.13 -42.8 96.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.839 -179.549 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.468 ' N ' ' CG ' ' A' ' 70' ' ' MET . 49.4 m -58.64 -49.7 76.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.679 -179.781 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -65.75 -34.58 78.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.699 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.52 ' C ' ' H ' ' A' ' 75' ' ' SER . 12.8 t80 -73.55 -61.39 1.85 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.714 -179.812 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 21.5 mt -50.4 -10.51 0.06 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.647 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.52 ' H ' ' C ' ' A' ' 73' ' ' PHE . 29.5 t -116.16 83.7 1.99 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.569 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -97.11 -21.5 17.31 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.626 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 86.33 73.98 1.27 Allowed Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -79.71 45.37 1.93 Allowed 'Trans proline' 0 C--N 1.306 -1.682 0 C-N-CA 122.825 2.35 . . . . 0.0 112.024 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 117.95 -1.024 . . . . 0.0 110.594 179.857 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 28.3 pt20 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.829 0.347 . . . . 0.0 110.575 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -49.24 -60.08 3.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.426 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -44.32 -35.12 2.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.59 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.1 -64.72 0.83 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.976 -179.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.0 p -60.97 -26.3 38.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 C-N-CA 120.809 -0.357 . . . . 0.0 110.472 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 45.2 mt -69.63 -59.98 2.61 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.791 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -65.37 -28.33 69.19 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.597 -0.441 . . . . 0.0 110.442 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 37.3 tp60 -73.79 -42.36 61.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.558 -179.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -72.65 -41.96 64.87 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 120.285 -0.566 . . . . 0.0 110.956 -179.389 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.471 ' CG ' ' N ' ' A' ' 16' ' ' ARG . 30.1 ptt85 -69.19 -42.72 75.44 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.556 -0.458 . . . . 0.0 110.026 179.723 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.471 ' N ' ' CG ' ' A' ' 15' ' ' ARG . 64.7 ttt180 -62.91 -46.2 88.95 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.897 0.38 . . . . 0.0 110.123 179.515 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -58.59 -48.72 80.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.324 179.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 12.8 mmp_? -61.87 -47.15 86.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.424 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -53.53 -67.22 0.27 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.538 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.9 mp -51.15 -61.05 2.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.442 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -41.47 -38.26 1.24 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.691 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.4 tp -69.23 -48.42 61.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.253 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 44.5 mtp85 -54.77 -57.17 12.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.159 179.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 10.5 mt -54.16 -53.1 31.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.086 179.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -49.68 -46.51 50.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.196 179.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 91.7 mm-40 -71.11 -20.57 62.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.42 179.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.8 t -72.95 -55.56 6.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.313 -0.403 . . . . 0.0 109.978 179.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -64.82 -39.35 93.43 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.862 179.411 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.61 -42.81 98.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.535 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -75.86 -24.65 55.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.416 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.7 tp 58.23 29.87 18.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.677 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.7 mm -83.99 -14.11 11.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.366 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.429 ' O ' ' OE1' ' A' ' 37' ' ' GLN . 58.4 m -80.21 62.54 4.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.582 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.413 ' OD1' ' O ' ' A' ' 34' ' ' ASP . 9.9 t0 -61.45 -21.56 64.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.683 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 21.0 pt-20 -59.81 -33.16 71.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.706 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -70.93 -57.42 4.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.59 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.474 ' CD ' ' H ' ' A' ' 37' ' ' GLN . 24.9 mp0 -58.93 -44.9 91.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.579 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.32 -51.32 70.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.494 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -59.23 -70.44 0.16 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.432 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.1 mt -40.81 -43.9 2.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.638 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.93 -45.68 91.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.591 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 15.7 mt -60.92 -37.93 84.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.558 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 59.7 mtt180 -75.17 -34.77 61.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.454 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 26.4 ttt180 -71.4 -1.99 14.97 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.735 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 32.2 t -89.71 -16.15 30.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.655 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.532 ' N ' ' CD2' ' A' ' 46' ' ' LEU . 3.6 mm? -66.32 -13.1 60.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.478 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -77.14 -23.67 51.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.521 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 10.6 t -86.1 70.25 10.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.6 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -64.88 155.42 83.2 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.251 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -69.71 119.7 6.61 Favored 'Trans proline' 0 C--N 1.308 -1.587 0 C-N-CA 122.558 2.172 . . . . 0.0 112.081 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 5.0 m -86.75 156.93 3.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.516 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.8 m -73.03 111.6 8.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.569 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.94 157.0 38.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.579 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 56.2 m-20 54.28 66.0 1.35 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.547 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 45.5 t0 -145.78 -53.37 0.27 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.553 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 79.39 -16.55 9.77 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -174.2 95.2 0.09 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.886 0.374 . . . . 0.0 110.618 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.27 165.35 36.74 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.344 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -72.14 -178.92 3.51 Favored 'Trans proline' 0 C--N 1.306 -1.662 0 C-N-CA 122.845 2.363 . . . . 0.0 111.927 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 74.2 tttt -167.64 43.32 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.625 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.563 ' SD ' ' N ' ' A' ' 61' ' ' MET . 3.8 mpp? -102.17 113.99 27.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.435 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.671 ' H ' ' NE2' ' A' ' 65' ' ' GLN . 43.7 p -73.0 147.57 88.5 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.363 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -39.14 -35.55 0.65 Allowed 'Trans proline' 0 C--N 1.311 -1.422 0 C-N-CA 122.474 2.116 . . . . 0.0 112.207 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 53.4 tt0 -61.1 -50.9 71.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.803 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.671 ' NE2' ' H ' ' A' ' 62' ' ' THR . 2.0 mt-30 -59.73 -67.98 0.33 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.707 -179.795 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.602 ' SD ' ' N ' ' A' ' 67' ' ' ALA . 5.0 ppp? -46.48 -39.47 10.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.726 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.602 ' N ' ' SD ' ' A' ' 66' ' ' MET . . . -69.33 -59.02 3.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.484 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.422 ' O ' ' OE2' ' A' ' 72' ' ' GLU . 19.7 tptm -52.37 -52.28 54.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.401 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 76.9 mt-10 -55.6 -56.52 19.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.464 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 39.0 mmm -49.85 -44.4 49.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.376 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 19.7 m -57.76 -48.37 79.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.567 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.443 ' OE1' ' N ' ' A' ' 72' ' ' GLU . 0.3 OUTLIER -73.47 -26.65 61.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.608 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.512 ' C ' ' H ' ' A' ' 75' ' ' SER . 35.2 t80 -71.62 -57.31 4.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.466 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 22.8 mt -53.45 -7.89 0.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.583 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.512 ' H ' ' C ' ' A' ' 73' ' ' PHE . 17.6 t -132.57 103.34 6.1 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.513 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 70.0 mtm180 -53.8 -8.98 0.19 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.522 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.492 ' H ' ' C ' ' A' ' 75' ' ' SER . . . 80.2 58.99 2.65 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -73.48 107.44 2.39 Favored 'Trans proline' 0 C--N 1.307 -1.642 0 C-N-CA 122.764 2.309 . . . . 0.0 112.041 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.53 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.583 -179.941 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.784 0.326 . . . . 0.0 110.585 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -60.71 -60.4 3.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.591 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 14.9 mm-40 -50.04 -34.35 21.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.818 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.94 -67.13 0.48 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.05 -179.678 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 13.8 p -58.34 -41.25 80.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.729 -179.584 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 82.1 mt -59.61 -60.47 3.79 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.903 -0.319 . . . . 0.0 110.356 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -50.41 -49.76 53.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.418 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 40.4 tp60 -54.37 -44.04 71.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.484 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -65.56 -53.33 43.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.581 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 34.0 mmt180 -46.62 -52.01 14.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.568 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -64.77 -58.66 5.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.583 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -42.53 -47.76 5.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.611 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 48.4 mtm180 -64.23 -54.92 25.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.527 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -45.73 -62.41 1.31 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.498 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.478 ' N ' ' CD1' ' A' ' 20' ' ' LEU . 8.2 mp -55.57 -65.03 0.66 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.43 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -40.41 -38.31 0.81 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.694 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.4 tp -66.5 -51.04 60.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.296 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 33.8 mtp85 -53.74 -56.36 18.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.145 179.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 11.7 mt -51.46 -53.95 13.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.086 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -48.76 -47.1 41.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.118 179.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 96.7 mm-40 -68.52 -22.22 64.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.427 179.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 31' ' ' LEU . 6.1 t -74.45 -55.99 5.35 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.157 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -60.62 -39.78 89.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.874 179.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.02 -48.11 77.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.457 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -75.84 -25.02 55.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.508 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 27' ' ' SER . 5.4 tp 53.73 36.77 24.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.645 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.406 ' O ' ' N ' ' A' ' 34' ' ' ASP . 3.5 mm -87.52 -19.47 7.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.373 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 11.5 p -69.2 64.3 0.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.531 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.406 ' N ' ' O ' ' A' ' 32' ' ' ILE . 35.5 t0 -47.64 -31.22 4.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.436 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.427 ' O ' ' OD1' ' A' ' 39' ' ' ASP . 43.4 tt0 -53.42 -48.81 68.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.511 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.42 -53.6 56.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.546 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 18.0 mm100 -51.47 -49.4 61.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.543 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.76 -36.31 78.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.557 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.427 ' OD1' ' O ' ' A' ' 35' ' ' GLU . 9.6 m-20 -69.93 -47.91 60.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.583 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.9 mt -63.48 -32.6 74.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.454 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -73.11 -53.66 10.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.729 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.1 pp -67.65 -26.46 66.23 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.558 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 56.8 ttt180 -83.4 -31.12 26.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.515 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 28.6 ttt85 -69.75 -28.13 65.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.418 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.0 t -83.94 126.46 33.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.495 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.652 ' C ' ' H ' ' A' ' 48' ' ' SER . 8.1 mp -80.27 -2.54 45.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.533 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -66.68 25.21 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.755 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.652 ' H ' ' C ' ' A' ' 46' ' ' LEU . 6.8 m -96.61 -41.85 8.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.706 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.481 ' O ' ' O ' ' A' ' 50' ' ' PRO . 12.4 m-85 -71.15 150.79 94.66 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.327 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.481 ' O ' ' O ' ' A' ' 49' ' ' TYR . 81.3 Cg_exo -41.74 174.57 0.0 OUTLIER 'Trans proline' 0 C--N 1.312 -1.356 0 C-N-CA 122.658 2.239 . . . . 0.0 112.435 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 78.0 t -96.78 102.98 14.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.4 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 28.9 t -93.52 122.46 35.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.665 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 83.1 mttt -85.75 165.15 17.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.492 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 43.6 t30 45.97 28.09 0.58 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.55 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -65.32 -50.53 65.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.667 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.427 ' O ' ' O ' ' A' ' 57' ' ' THR . . . 81.39 4.48 90.42 Favored Glycine 0 CA--C 1.522 0.495 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.427 ' O ' ' O ' ' A' ' 56' ' ' GLY . 14.5 p 39.53 94.1 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.958 0.409 . . . . 0.0 110.863 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 18.7 mtt85 -105.21 147.63 34.87 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.32 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -67.85 -178.85 1.79 Allowed 'Trans proline' 0 N--CA 1.493 1.461 0 C-N-CA 122.362 2.042 . . . . 0.0 111.982 179.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 49.4 tttp -157.54 115.83 3.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.648 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 12.6 mtt -81.7 109.93 16.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.454 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.4 p -76.94 148.24 78.52 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.259 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_exo -38.19 -39.91 1.07 Allowed 'Trans proline' 0 C--N 1.311 -1.433 0 C-N-CA 122.508 2.138 . . . . 0.0 112.283 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -66.73 -46.7 74.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.614 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 61.4 mt-30 -55.64 -64.56 0.81 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.629 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.503 ' O ' ' SD ' ' A' ' 70' ' ' MET . 8.2 ptm -55.27 -53.04 61.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.69 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.446 ' N ' ' CG ' ' A' ' 66' ' ' MET . . . -45.86 -53.54 9.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.517 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 12.5 tptp -60.81 -61.06 2.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.597 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -46.2 -54.58 8.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.559 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.604 ' SD ' ' N ' ' A' ' 70' ' ' MET . 0.0 OUTLIER -50.59 -57.81 7.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.437 179.939 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 38.1 m -55.11 -26.96 41.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.615 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -78.34 -35.2 47.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.61 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -74.69 -37.15 62.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.54 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 20.0 mt -73.05 -7.94 53.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.479 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 21.9 t -139.77 96.98 3.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.473 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.47 -89.89 0.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.473 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.446 ' C ' ' H ' ' A' ' 79' ' ' ALA . . . 78.94 -178.71 53.35 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -74.4 30.21 0.34 Allowed 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 122.781 2.321 . . . . 0.0 112.078 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.446 ' H ' ' C ' ' A' ' 77' ' ' GLY . . . . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 118.063 -0.97 . . . . 0.0 110.626 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.819 0.342 . . . . 0.0 110.588 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -50.45 -60.19 3.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.567 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 14.0 tp60 -49.22 -34.87 15.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.64 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.84 -67.02 0.48 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.775 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.7 p -59.13 -44.94 92.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.758 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 76.1 mt -53.54 -54.5 36.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.354 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -60.64 -43.88 97.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.533 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.643 HE22 HH21 ' A' ' 16' ' ' ARG . 59.2 tp60 -59.85 -39.09 84.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.586 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 70.9 mt-10 -66.38 -48.29 70.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.539 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 80.3 mtt180 -55.87 -56.2 23.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.504 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.643 HH21 HE22 ' A' ' 13' ' ' GLN . 52.1 ttp180 -57.96 -56.81 17.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.457 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -43.8 -44.4 6.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.528 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 16.9 mmt180 -64.76 -53.24 50.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.334 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -45.69 -59.57 2.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.511 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.494 ' N ' ' CD1' ' A' ' 20' ' ' LEU . 8.4 mp -59.43 -66.34 0.53 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.378 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -39.38 -36.59 0.37 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.671 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.2 tp -68.79 -51.15 44.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.211 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 39.5 mtp180 -58.6 -59.08 5.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.133 179.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.468 ' O ' ' N ' ' A' ' 27' ' ' SER . 13.9 mt -49.27 -55.04 4.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.888 179.655 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -45.38 -50.89 11.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.22 179.558 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -67.24 -20.87 65.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.409 179.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.485 ' O ' ' N ' ' A' ' 31' ' ' LEU . 5.0 t -76.63 -50.0 14.86 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.17 179.809 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -65.68 -35.25 80.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.95 179.542 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.54 -44.41 64.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.512 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -81.38 -25.18 36.51 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.64 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.485 ' N ' ' O ' ' A' ' 27' ' ' SER . 2.8 mt 52.13 24.46 2.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.544 179.782 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 70.7 mt -85.51 -24.43 6.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.336 179.689 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.456 ' C ' ' N ' ' A' ' 35' ' ' GLU . 6.8 t -78.46 43.74 0.48 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.696 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -50.07 -15.22 0.19 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.999 0.428 . . . . 0.0 110.056 179.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.456 ' N ' ' C ' ' A' ' 33' ' ' SER . 1.3 pp20? -64.12 -29.4 70.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.452 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.58 -47.01 67.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.332 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.483 ' N ' ' CD ' ' A' ' 37' ' ' GLN . 17.8 mp0 -63.82 -52.61 59.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.32 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.44 -40.89 79.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.353 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.533 ' OD2' ' NH1' ' A' ' 43' ' ' ARG . 15.4 t70 -62.62 -60.36 3.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.484 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.0 mt -46.57 -47.18 19.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.472 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.65 -53.56 56.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.524 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 13.7 mt -57.97 -41.99 84.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.558 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.533 ' NH1' ' OD2' ' A' ' 39' ' ' ASP . 22.3 ttm105 -66.01 -46.19 78.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.506 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 27.1 ttt180 -59.81 -37.62 79.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.481 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 37.3 m -89.8 73.0 7.59 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.551 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.469 ' C ' ' H ' ' A' ' 48' ' ' SER . 5.6 tp -74.37 -30.1 61.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.544 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -63.59 -0.6 0.99 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.632 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.469 ' H ' ' C ' ' A' ' 46' ' ' LEU . 88.7 p -77.05 -76.24 0.18 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.55 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.418 ' N ' ' OG ' ' A' ' 48' ' ' SER . 3.2 m-85 -69.05 154.06 95.43 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.343 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -68.86 121.27 8.14 Favored 'Trans proline' 0 C--N 1.309 -1.529 0 C-N-CA 122.529 2.153 . . . . 0.0 111.967 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 95.3 t -74.59 135.92 26.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.485 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 20.3 t -74.92 128.54 35.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.788 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 15.1 pttm -133.11 130.87 39.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.378 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 38.3 t30 -160.12 70.12 0.42 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.696 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -90.68 -55.59 3.52 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.445 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 87.61 -2.55 86.2 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 24.4 p -96.9 77.73 2.8 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.779 0.323 . . . . 0.0 110.498 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 45.5 mtp85 -86.32 148.06 46.22 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.496 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -68.67 -178.93 2.14 Favored 'Trans proline' 0 N--CA 1.494 1.505 0 C-N-CA 122.553 2.169 . . . . 0.0 111.894 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -163.17 43.81 0.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.615 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.469 ' SD ' ' N ' ' A' ' 61' ' ' MET . 4.1 mpp? -97.3 140.76 31.29 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.466 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.536 ' OG1' ' NE2' ' A' ' 65' ' ' GLN . 2.7 p -79.56 151.25 74.3 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.408 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_exo -38.77 -44.26 2.3 Favored 'Trans proline' 0 C--N 1.31 -1.454 0 C-N-CA 122.666 2.244 . . . . 0.0 112.453 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -65.25 -45.69 83.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.688 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.685 ' H ' HE21 ' A' ' 65' ' ' GLN . 0.2 OUTLIER -62.18 -63.4 1.25 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.635 -179.812 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.491 ' SD ' ' N ' ' A' ' 67' ' ' ALA . 0.0 OUTLIER -54.03 -36.22 62.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.718 -179.739 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.491 ' N ' ' SD ' ' A' ' 66' ' ' MET . . . -65.18 -64.46 0.86 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.468 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 15.9 tptp -45.19 -54.06 7.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.509 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 72.7 mt-10 -53.35 -52.34 59.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.558 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 7.1 mmt -60.66 -63.04 1.44 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.536 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 38.7 p -45.55 -36.22 4.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.648 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -77.4 -32.04 54.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.537 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -72.99 -53.34 11.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.482 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 37.0 mt -59.45 -12.28 5.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.458 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.5 t -73.37 -6.76 48.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.569 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 83.3 mtp180 -78.26 -100.43 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.622 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 160.83 -68.82 0.24 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -73.47 -170.03 0.61 Allowed 'Trans proline' 0 C--N 1.306 -1.686 0 C-N-CA 122.809 2.339 . . . . 0.0 111.993 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.496 0 CA-C-O 117.963 -1.018 . . . . 0.0 110.525 179.931 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.798 0.333 . . . . 0.0 110.342 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 28.0 mm100 -45.37 -60.29 2.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.488 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -47.16 -33.91 5.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.673 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.59 -64.86 0.8 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.754 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.8 p -60.71 -30.28 46.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.648 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 57.5 mt -66.52 -61.48 1.97 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.265 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -60.12 -36.3 77.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.495 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 33.2 tp60 -66.05 -45.29 81.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.573 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -64.96 -56.52 12.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.417 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 85.4 mtt-85 -50.5 -53.22 31.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.361 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.416 ' O ' ' N ' ' A' ' 19' ' ' GLU . 39.3 ttp180 -59.32 -62.16 2.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.411 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 16' ' ' ARG . 25.4 t0 -39.59 -41.48 1.03 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.613 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 15.3 mmt85 -68.39 -45.48 72.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.25 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.416 ' N ' ' O ' ' A' ' 16' ' ' ARG . 58.5 mm-40 -55.86 -53.33 58.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.431 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 14.0 mt -60.31 -61.56 2.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.399 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -43.43 -36.51 1.99 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.426 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.4 tp -69.21 -47.92 63.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.163 179.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 25.5 mtp180 -55.24 -57.19 12.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.119 179.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 10.8 mt -54.02 -54.86 17.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.132 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -48.69 -48.78 39.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.178 179.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 91.0 mm-40 -69.33 -19.93 63.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.31 179.664 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.3 t -73.77 -57.06 4.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 109.933 179.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -62.01 -39.13 91.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.726 179.249 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.1 -45.19 93.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.394 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 53.6 mm-40 -75.84 -25.05 55.88 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.526 179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.4 tp 62.49 57.14 1.92 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.529 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.413 ' O ' ' C ' ' A' ' 33' ' ' SER . 4.9 mm -125.23 -92.11 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.338 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.479 ' O ' ' N ' ' A' ' 35' ' ' GLU . 2.8 t 37.2 53.41 1.23 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.927 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -44.67 -18.98 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.212 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 33' ' ' SER . 20.2 tt0 -69.59 -51.62 33.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.299 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.3 -50.57 69.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.551 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 63.5 mm-40 -59.42 -50.99 71.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.599 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.99 -52.26 66.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.624 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -57.88 -69.17 0.18 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.638 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 14.2 mt -42.65 -41.41 3.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.593 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.26 -42.51 99.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.691 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.4 mt -63.47 -37.94 89.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.576 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 14.9 mtp-105 -77.12 -48.4 17.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.594 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 17.8 ttm180 -59.75 -13.52 10.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.568 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 20.7 t -71.76 125.05 26.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.524 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.551 ' N ' ' CD2' ' A' ' 46' ' ' LEU . 3.5 mm? -71.7 -27.54 63.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.443 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -77.93 12.75 1.63 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.545 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 28.5 t -71.08 -54.23 11.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.57 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -81.33 147.08 59.36 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.324 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -69.0 178.74 3.81 Favored 'Trans proline' 0 N--CA 1.493 1.496 0 C-N-CA 122.429 2.086 . . . . 0.0 112.002 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 16.9 m -113.3 134.12 57.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.575 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 22.9 p -92.5 166.23 12.63 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.546 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 50.9 pttt -132.86 149.87 52.21 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.536 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.7 m120 54.83 46.84 23.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.649 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 17.7 p30 -87.25 38.35 0.81 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.63 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 64.49 4.63 13.71 Favored Glycine 0 CA--C 1.522 0.494 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.425 ' O ' ' OG1' ' A' ' 57' ' ' THR . 2.8 p 42.67 55.07 4.38 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.914 0.388 . . . . 0.0 110.749 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 64.1 mtm-85 -82.77 148.69 58.29 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.271 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -66.94 -179.04 1.51 Allowed 'Trans proline' 0 C--N 1.31 -1.45 0 C-N-CA 122.383 2.055 . . . . 0.0 111.992 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 72.1 tttt -152.11 115.67 4.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.567 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 8.4 ptp -91.55 122.42 34.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.534 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.32 151.26 77.2 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.267 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -64.92 -34.96 46.3 Favored 'Trans proline' 0 C--N 1.31 -1.489 0 C-N-CA 122.438 2.092 . . . . 0.0 111.78 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -63.14 -37.53 87.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.218 179.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 24.2 mm100 -66.25 -50.15 64.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.317 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 55.3 mtm -56.88 -43.58 81.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.376 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.7 -52.43 65.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.512 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 33.6 tptt -52.5 -48.86 65.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.499 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 57.7 mm-40 -58.3 -51.19 70.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.529 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 13.2 mmt -59.18 -60.92 3.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.56 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 21.7 p -46.23 -43.28 15.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.515 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 10.0 tm-20 -72.02 -27.04 62.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.545 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -79.31 -37.6 37.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.507 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 21.1 mt -71.36 -7.83 49.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.451 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 10.3 t -142.08 117.46 10.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.575 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 34.4 mtm-85 -137.08 -52.59 0.68 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.514 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -80.16 -69.21 1.41 Allowed Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.416 ' O ' ' OXT' ' A' ' 79' ' ' ALA . 58.0 Cg_endo -73.34 142.51 33.6 Favored 'Trans proline' 0 C--N 1.307 -1.653 0 C-N-CA 122.733 2.289 . . . . 0.0 112.075 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.416 ' OXT' ' O ' ' A' ' 78' ' ' PRO . . . . . . . . 0 C--O 1.221 -0.438 0 CA-C-O 118.009 -0.995 . . . . 0.0 110.508 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 53.0 tp60 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.731 0.3 . . . . 0.0 110.501 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 24.7 mm100 -42.93 -60.53 1.58 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.575 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.417 ' OE1' ' OE1' ' A' ' 12' ' ' GLU . 7.1 tp-100 -47.05 -38.07 10.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.679 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.12 -65.21 0.71 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.925 -179.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 5.0 p -60.3 -29.64 44.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.64 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 41.1 mt -65.69 -67.51 0.44 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.605 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.417 ' OE1' ' OE1' ' A' ' 8' ' ' GLN . 15.3 pt-20 -57.8 -33.53 68.68 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.664 -179.746 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 21.9 tp60 -70.83 -36.67 73.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.412 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -68.3 -57.68 5.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.512 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.497 ' CG ' ' N ' ' A' ' 16' ' ' ARG . 12.0 ptm180 -58.14 -45.36 87.5 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.324 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.497 ' N ' ' CG ' ' A' ' 15' ' ' ARG . 38.1 ttm180 -62.28 -52.05 65.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.307 179.654 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -48.14 -51.41 24.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.389 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 39.2 mtp180 -59.91 -52.81 63.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.53 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 81.1 mt-10 -45.54 -66.22 0.43 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.519 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.463 ' N ' ' CD1' ' A' ' 20' ' ' LEU . 8.7 mp -54.68 -62.96 1.32 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.307 179.804 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -40.08 -39.13 0.83 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.579 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.5 tp -67.23 -48.62 67.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.1 179.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 59.7 mtp180 -56.48 -57.03 14.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.142 179.599 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.455 ' O ' ' N ' ' A' ' 27' ' ' SER . 13.8 mt -50.48 -55.7 5.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.004 179.659 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -45.76 -46.99 15.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.249 179.65 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -69.77 -22.93 63.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.315 179.692 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 24' ' ' ILE . 5.4 t -73.22 -51.36 18.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.0 179.769 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -65.35 -38.33 89.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.844 179.428 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.7 -44.35 90.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.465 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -75.76 -24.88 56.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.37 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.4 tp 55.79 37.35 28.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.776 179.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.5 mm -97.65 -44.22 12.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.451 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.42 ' OG ' ' OG ' ' A' ' 27' ' ' SER . 8.4 p -83.33 42.16 0.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.618 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -55.17 -21.83 15.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.416 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.402 ' CG ' ' N ' ' A' ' 36' ' ' ALA . 22.1 pt-20 -62.82 -40.74 98.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.507 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.402 ' N ' ' CG ' ' A' ' 35' ' ' GLU . . . -64.18 -52.08 60.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.545 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 95.7 mm-40 -54.75 -47.67 73.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.473 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.54 -58.3 8.9 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.535 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -46.99 -62.29 1.48 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.551 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.9 mt -47.71 -49.16 28.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.518 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -51.71 -52.6 47.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.607 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 22.7 mt -64.79 -23.74 67.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.534 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.406 ' C ' ' H ' ' A' ' 45' ' ' SER . 9.7 tpt180 -75.35 -50.11 16.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.586 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -76.9 11.45 1.75 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.601 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.406 ' H ' ' C ' ' A' ' 43' ' ' ARG . 89.8 p -66.88 95.95 0.39 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.593 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.48 ' C ' ' H ' ' A' ' 48' ' ' SER . 4.8 tp -80.3 -22.72 41.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.44 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -76.97 19.68 0.29 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.546 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.48 ' H ' ' C ' ' A' ' 46' ' ' LEU . 26.0 t -39.82 -73.56 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.835 -179.8 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 11.2 p90 -68.08 148.95 98.33 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.517 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -71.3 179.97 4.09 Favored 'Trans proline' 0 C--N 1.309 -1.547 0 C-N-CA 122.521 2.147 . . . . 0.0 112.061 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.5 p -101.03 135.27 38.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.422 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 80.2 p -86.04 156.09 20.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.537 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 34.7 ttpt -133.21 127.36 33.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.561 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -158.26 40.73 0.26 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.554 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -145.91 -27.38 0.44 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.591 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 71.18 12.03 71.58 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -174.38 93.33 0.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.902 0.382 . . . . 0.0 110.534 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 53.8 mtp85 -69.4 149.86 97.17 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.353 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -69.18 178.05 4.58 Favored 'Trans proline' 0 C--N 1.309 -1.502 0 C-N-CA 122.519 2.146 . . . . 0.0 111.93 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.1 pttp -114.61 137.62 51.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.513 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.587 ' SD ' ' N ' ' A' ' 61' ' ' MET . 1.4 mpt? -85.61 127.45 34.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.542 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.4 p -75.65 148.99 83.19 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.233 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 82.3 Cg_exo -38.49 -35.5 0.47 Allowed 'Trans proline' 0 C--N 1.31 -1.477 0 C-N-CA 122.537 2.158 . . . . 0.0 112.237 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -68.25 -47.77 66.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.63 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -55.07 -62.04 1.92 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.693 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.593 ' SD ' ' N ' ' A' ' 67' ' ' ALA . 3.0 ppp? -57.99 -41.56 83.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.664 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.593 ' N ' ' SD ' ' A' ' 66' ' ' MET . . . -59.65 -60.33 4.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.886 0.374 . . . . 0.0 110.452 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 12.9 tptp -51.94 -42.11 62.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.408 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -61.51 -58.27 8.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.405 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 24.6 mtt -49.41 -47.7 47.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.505 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.3 t -62.51 -35.84 80.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.54 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -77.28 -30.95 54.52 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.671 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -79.79 -52.04 8.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.564 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 20.7 mt -66.83 -14.19 62.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.522 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 32.3 t -162.62 148.09 12.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.648 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -48.82 -85.62 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.519 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 72.47 71.73 1.04 Allowed Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_exo -48.0 102.19 0.05 OUTLIER 'Trans proline' 0 C--N 1.306 -1.682 0 C-N-CA 122.751 2.301 . . . . 0.0 112.185 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 118.005 -0.997 . . . . 0.0 110.56 -179.945 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.502 ' N ' ' CD ' ' A' ' 6' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.747 0.308 . . . . 0.0 110.496 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.493 ' N ' ' OE1' ' A' ' 6' ' ' GLN . 10.5 mm-40 -42.95 -60.33 1.66 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.374 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 29.9 tp60 -46.67 -36.12 6.73 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.61 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.465 ' HB3' ' O ' ' A' ' 6' ' ' GLN . . . -69.43 -67.02 0.51 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.878 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.1 p -57.07 -28.99 30.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.698 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 11' ' ' LEU . 55.6 mt -69.68 -67.16 0.5 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.601 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -57.71 -33.21 68.17 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.582 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 52.3 tp60 -66.51 -46.97 74.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.405 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -63.51 -60.05 3.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.398 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.8 mmp_? -48.82 -50.83 32.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.379 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 69.9 ttt-85 -58.14 -53.35 59.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.424 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -44.75 -52.29 8.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.599 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 20.5 mmt180 -59.98 -53.07 62.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.562 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -45.4 -65.47 0.53 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.548 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.493 ' N ' HD12 ' A' ' 20' ' ' LEU . 9.0 mp -51.86 -63.06 1.26 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.42 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -41.77 -41.27 2.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.699 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.4 tp -67.75 -41.01 84.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.53 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.406 ' N ' ' O ' ' A' ' 20' ' ' LEU . 68.6 mtp180 -62.48 -46.04 90.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.48 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 31.3 mt -64.81 -41.94 93.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.435 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.9 -46.34 75.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.539 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 77.2 mm-40 -69.98 -35.02 74.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.354 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 58.8 m -71.49 -57.43 4.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.586 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -58.9 -37.44 76.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.236 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.32 -38.79 78.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.214 179.596 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -79.05 -25.08 43.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.419 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.413 ' O ' ' OD1' ' A' ' 34' ' ' ASP . 3.9 tp . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.663 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 18.7 m . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.773 0.321 . . . . 0.0 110.446 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.413 ' OD1' ' O ' ' A' ' 31' ' ' LEU . 1.5 m-20 -71.82 -18.97 62.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.62 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.477 ' CD ' ' N ' ' A' ' 36' ' ' ALA . 2.2 pp20? -61.66 -38.57 88.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.569 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.477 ' N ' ' CD ' ' A' ' 35' ' ' GLU . . . -64.18 -50.57 67.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.479 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 77.9 mm-40 -56.61 -49.05 76.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.418 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.07 -48.68 75.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.441 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -58.32 -70.33 0.15 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.543 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 27.4 mt -44.82 -36.17 3.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.644 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.45 -37.41 82.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.605 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.5 mt -69.36 -43.51 73.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.575 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 40.1 mtp180 -73.78 -27.26 61.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.511 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 39.3 ttt-85 -78.31 -28.6 47.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.335 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 91.6 p -79.88 62.09 4.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.556 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.452 ' C ' ' H ' ' A' ' 48' ' ' SER . 5.7 tp -49.15 -28.56 4.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.608 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -75.82 21.56 0.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.607 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.452 ' H ' ' C ' ' A' ' 46' ' ' LEU . 14.9 t . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.617 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.469 ' O ' ' N ' ' A' ' 65' ' ' GLN . 1.6 p . . . . . 0 CA--C 1.529 0.173 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_exo -37.77 -39.34 0.79 Allowed 'Trans proline' 0 C--N 1.31 -1.483 0 C-N-CA 122.551 2.167 . . . . 0.0 112.084 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -64.5 -39.78 94.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.557 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.469 ' N ' ' O ' ' A' ' 62' ' ' THR . 26.5 mt-30 -64.94 -64.98 0.73 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.56 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 10.1 ptm -53.07 -35.06 59.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.558 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.8 -40.41 83.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.475 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 33.3 tptt -71.3 -34.89 71.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.489 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -67.7 -58.45 4.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.554 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.486 ' CG ' ' N ' ' A' ' 71' ' ' SER . 15.5 ptm -60.42 -45.45 93.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.415 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.486 ' N ' ' CG ' ' A' ' 70' ' ' MET . 39.9 t -57.54 -45.68 84.8 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.503 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 50.0 tt0 -71.17 -33.4 69.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.55 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 39.4 t80 -67.83 -64.84 0.78 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.512 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 28.0 mt . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.424 179.902 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.482 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 59.4 tt0 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.807 0.336 . . . . 0.0 110.48 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -48.35 -60.14 2.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.43 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -49.23 -34.4 14.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.554 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.482 ' HB3' ' O ' ' A' ' 6' ' ' GLN . . . -65.84 -65.96 0.61 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.65 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.478 HG13 ' N ' ' A' ' 11' ' ' LEU . 5.1 p -60.09 -45.55 95.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.636 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.478 ' N ' HG13 ' A' ' 10' ' ' VAL . 75.3 mt -53.18 -57.94 8.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.336 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 54.4 mm-40 -60.58 -37.16 80.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.535 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 46.6 tp60 -62.06 -41.05 97.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.503 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -68.42 -55.92 10.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.567 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 25.1 mmt180 -49.82 -50.84 43.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.568 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 30.3 ttm180 -64.47 -62.33 1.66 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.716 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -40.26 -46.91 2.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.798 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.1 mmp_? -63.88 -55.36 23.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.677 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.0 mm-40 -45.52 -59.84 2.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.532 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.512 ' N ' HD12 ' A' ' 20' ' ' LEU . 9.5 mp -56.65 -66.02 0.51 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.427 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -40.8 -35.3 0.48 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.633 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.2 tp -68.39 -52.0 37.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.255 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 48.1 mtp85 -56.98 -58.5 7.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.134 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.405 HG21 HD13 ' A' ' 24' ' ' ILE . 12.3 mt -49.5 -56.09 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.924 179.72 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -47.12 -44.38 21.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.279 179.671 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -68.87 -24.95 64.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.399 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 31' ' ' LEU . 9.1 t -74.23 -55.94 5.47 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.087 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -60.26 -38.04 82.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.005 179.408 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.14 -48.89 71.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.515 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -75.91 -25.7 56.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.574 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' A' ' 27' ' ' SER . 4.9 tp . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.632 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 33.3 p . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.857 0.36 . . . . 0.0 110.768 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.415 ' OD2' ' O ' ' A' ' 31' ' ' LEU . 44.8 m-20 -62.88 -26.34 68.73 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.309 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.449 ' CG ' ' N ' ' A' ' 36' ' ' ALA . 11.4 pt-20 -60.91 -45.62 93.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.347 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.449 ' N ' ' CG ' ' A' ' 35' ' ' GLU . . . -58.44 -59.35 5.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.222 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 -46.27 -54.7 8.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.248 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.38 -47.58 85.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.439 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.401 ' O ' ' N ' ' A' ' 43' ' ' ARG . 17.4 m-20 -54.67 -69.02 0.14 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.614 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.4 ' N ' HD12 ' A' ' 40' ' ' LEU . 10.8 mp -43.84 -50.46 7.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.389 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.38 -41.86 81.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.458 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 13.1 mt -77.91 -15.07 59.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.29 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.401 ' N ' ' O ' ' A' ' 39' ' ' ASP . 46.9 ttt85 -82.06 -50.37 9.16 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.535 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.545 ' O ' ' N ' ' A' ' 46' ' ' LEU . 7.4 ptt180 -64.84 -2.18 2.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.478 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.6 t -49.3 86.43 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.624 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.545 ' N ' ' O ' ' A' ' 44' ' ' ARG . 6.2 tp -78.74 -22.28 46.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.368 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 52.9 t0 -59.42 -1.73 0.25 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.609 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.491 ' H ' ' C ' ' A' ' 46' ' ' LEU . 11.4 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.642 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 7.2 p . . . . . 0 N--CA 1.463 0.182 0 N-CA-C 110.456 -0.201 . . . . 0.0 110.456 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_exo -38.99 -48.42 2.85 Favored 'Trans proline' 0 C--N 1.312 -1.381 0 C-N-CA 122.474 2.116 . . . . 0.0 112.131 179.673 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -55.66 -54.44 44.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.377 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -51.36 -54.03 30.44 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.349 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.496 ' O ' ' SD ' ' A' ' 70' ' ' MET . 67.6 mtp -52.26 -61.29 2.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.436 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -48.51 -56.81 7.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.53 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 12.8 tptm -55.55 -63.66 1.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.486 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -46.06 -57.32 4.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.581 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.591 ' N ' ' SD ' ' A' ' 70' ' ' MET . 0.0 OUTLIER -48.87 -47.41 42.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.418 179.9 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 16.5 t -59.16 -41.65 88.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.542 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 32.6 tp10 -67.59 -40.94 84.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.53 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -62.58 -57.18 12.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.483 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 41.0 mt . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.503 179.942 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.42 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 42.1 tt0 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.938 0.399 . . . . 0.0 110.377 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -45.01 -60.37 2.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.729 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -48.3 -37.17 15.72 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.836 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' A' ' 6' ' ' GLN . . . -66.45 -67.06 0.48 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.91 -179.661 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.478 HG13 ' N ' ' A' ' 11' ' ' LEU . 6.2 p -56.59 -43.79 79.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.563 -179.725 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.478 ' N ' HG13 ' A' ' 10' ' ' VAL . 84.4 mt -57.05 -67.56 0.31 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.386 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 58.8 mt-10 -46.2 -47.48 17.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.428 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.23 -53.13 61.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.333 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 -55.05 -56.74 16.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.54 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 30.3 mtp180 -46.26 -51.14 15.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.382 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 65.0 ttt180 -55.19 -61.19 2.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.229 179.712 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -46.97 -47.03 21.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.308 179.729 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 53.0 mtp180 -61.2 -53.67 54.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.455 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 50.6 mm-40 -45.36 -56.89 4.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.49 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 11.0 mp -55.28 -62.94 1.34 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.318 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -49.96 -34.78 21.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.667 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.5 tp -69.91 -40.09 75.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.653 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 26.1 mtp180 -66.92 -46.18 75.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.504 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.441 ' O ' ' CG ' ' A' ' 28' ' ' GLU . 28.6 mt -71.03 -29.76 38.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.539 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.11 -51.56 13.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.743 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -68.12 -32.73 73.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.437 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 45.7 t -73.98 -54.29 8.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.729 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.441 ' CG ' ' O ' ' A' ' 24' ' ' ILE . 1.3 pp20? -64.63 -28.45 69.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.562 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -77.18 -43.43 33.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.674 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -83.35 -25.36 31.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.535 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.0 tp . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.82 179.8 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.1 m . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.779 0.323 . . . . 0.0 110.482 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -45.08 -25.04 0.29 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.425 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -58.85 -50.09 75.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.457 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.21 -60.68 3.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.538 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 6.2 mm100 -47.32 -43.46 22.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.606 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.47 -44.86 89.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.687 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -57.73 -62.85 1.5 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.622 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.537 ' N ' HD12 ' A' ' 40' ' ' LEU . 8.8 mp -54.36 -41.33 69.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.597 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.33 -58.72 7.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.61 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 15.1 mt -61.77 -37.23 83.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.511 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 44.8 ttt85 -71.01 -31.76 68.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.504 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.415 ' HB2' HH11 ' A' ' 44' ' ' ARG . 14.5 ttp-105 -77.79 -38.08 47.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.357 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 46.6 m -88.87 98.64 11.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.662 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.586 HD22 ' N ' ' A' ' 46' ' ' LEU . 3.6 mm? -71.82 -34.69 69.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.285 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -79.61 21.55 0.51 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.569 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 46.1 t . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.68 179.976 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.6 p . . . . . 0 CA--C 1.53 0.204 0 N-CA-C 110.406 -0.22 . . . . 0.0 110.406 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.413 ' O ' ' CB ' ' A' ' 67' ' ' ALA . 82.5 Cg_exo -38.17 -46.85 2.27 Favored 'Trans proline' 0 C--N 1.311 -1.408 0 C-N-CA 122.671 2.247 . . . . 0.0 112.324 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 61.4 tt0 -54.07 -48.64 70.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.722 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.482 ' OE1' ' N ' ' A' ' 65' ' ' GLN . 5.4 mp0 -59.68 -65.96 0.59 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.53 -179.811 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 12.2 ptm -53.79 -39.26 65.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.636 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.413 ' CB ' ' O ' ' A' ' 63' ' ' PRO . . . -65.52 -59.72 3.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.473 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.8 mmmm -55.98 -55.24 35.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.582 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -49.56 -57.83 6.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.554 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 12.3 mmt -54.8 -58.17 8.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.586 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.5 t -48.2 -54.42 13.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.525 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -60.14 -45.67 92.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.736 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -60.67 -62.75 1.63 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.617 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 29.5 mt . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.665 -179.883 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.461 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 64.1 tt0 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.83 0.348 . . . . 0.0 110.618 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -43.45 -60.5 1.7 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.425 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -46.68 -36.27 6.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.686 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' A' ' 6' ' ' GLN . . . -68.34 -65.9 0.64 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.741 -179.767 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.0 p -59.14 -30.18 43.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.662 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 42.9 mt -65.67 -60.03 3.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.366 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -58.98 -38.52 79.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.486 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 61.2 tp60 -62.62 -42.86 99.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.524 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 46.3 mm-40 -66.27 -49.52 66.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.532 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 67.0 mtp180 -53.63 -49.79 67.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.52 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 88.5 mtt180 -62.15 -61.14 2.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.606 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -40.88 -51.0 3.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.714 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 80.9 mtt180 -63.65 -51.15 66.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.532 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.5 mm-40 -55.76 -62.71 1.51 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.487 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.486 ' O ' ' N ' ' A' ' 23' ' ' ARG . 10.7 mp -51.1 -64.37 0.83 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.426 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -41.49 -42.52 2.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.548 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.1 tp -68.17 -35.93 78.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.392 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.486 ' N ' ' O ' ' A' ' 20' ' ' LEU . 37.3 mtp180 -72.77 -41.85 64.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.523 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.43 ' O ' ' CG ' ' A' ' 28' ' ' GLU . 54.8 mt -70.7 -30.3 41.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.676 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.87 -52.9 9.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.687 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -65.2 -33.26 75.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.454 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 31' ' ' LEU . 46.2 t -74.05 -58.71 3.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.617 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.43 ' CG ' ' O ' ' A' ' 24' ' ' ILE . 1.2 pp20? -59.71 -27.48 66.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.607 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -78.49 -44.04 25.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.604 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -80.84 -21.11 41.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.652 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.422 ' N ' ' O ' ' A' ' 27' ' ' SER . 4.9 mt . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.58 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.403 ' OG ' ' OG ' ' A' ' 27' ' ' SER . 89.5 p . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.786 0.327 . . . . 0.0 110.499 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -73.84 -28.24 61.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.594 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.4 ' CG ' ' N ' ' A' ' 36' ' ' ALA . 22.9 pt-20 -59.51 -41.37 89.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.545 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.4 ' N ' ' CG ' ' A' ' 35' ' ' GLU . . . -61.21 -54.31 45.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.507 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 17.6 mm-40 -54.11 -43.76 70.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.529 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.6 -44.4 97.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.57 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.486 ' O ' ' N ' ' A' ' 43' ' ' ARG . 4.1 m-20 -64.73 -50.7 65.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.618 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 22.5 mt -59.5 -31.91 69.79 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.312 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -73.0 -40.06 65.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.01 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.2 pp -89.04 -19.7 25.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.781 0.324 . . . . 0.0 110.627 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.486 ' N ' ' O ' ' A' ' 39' ' ' ASP . 44.0 ttm180 -81.6 -42.45 20.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.644 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 4.8 ppt_? -59.74 -13.09 8.67 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.592 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 13.6 t -81.28 121.6 26.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.559 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.484 ' C ' ' H ' ' A' ' 48' ' ' SER . 5.6 tp -82.42 -39.17 22.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.616 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.526 ' OD1' ' N ' ' A' ' 47' ' ' ASP . 18.5 p-10 -72.0 14.25 0.23 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.672 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.484 ' H ' ' C ' ' A' ' 46' ' ' LEU . 35.1 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.665 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.0 p . . . . . 0 CA--C 1.53 0.189 0 N-CA-C 110.328 -0.249 . . . . 0.0 110.328 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_exo -38.42 -40.51 1.29 Allowed 'Trans proline' 0 C--N 1.311 -1.434 0 C-N-CA 122.516 2.144 . . . . 0.0 112.23 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -62.94 -44.72 95.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.598 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -58.35 -67.12 0.38 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.546 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 15.0 ptm -51.55 -39.06 57.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.576 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.57 -57.68 11.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.532 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 48.1 tttp -58.03 -48.09 81.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.572 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -50.67 -50.81 53.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.514 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 12.7 mmt -60.01 -62.34 1.94 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.45 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.6 m -47.31 -30.05 2.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.534 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 67.6 tt0 -77.68 -41.86 36.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.611 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -72.0 -53.22 13.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.525 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 35.4 mt . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.531 179.992 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.457 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 10.4 tt0 . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.777 0.322 . . . . 0.0 110.393 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -42.89 -60.3 1.65 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.466 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 11.3 mm100 -46.54 -36.81 7.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.595 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.457 ' HB3' ' O ' ' A' ' 6' ' ' GLN . . . -68.44 -65.28 0.72 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.944 -179.78 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.9 p -59.28 -28.94 40.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.593 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 11' ' ' LEU . 52.0 mt -69.28 -69.19 0.35 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.512 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -55.33 -31.11 61.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.488 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 15.8 tp60 -67.29 -47.64 70.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.387 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -63.82 -45.95 87.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.409 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 50.6 mtp180 -57.74 -51.76 68.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.392 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 86.3 mtt-85 -63.21 -59.51 4.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.448 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -41.07 -52.9 3.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.689 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 73.7 mtp180 -59.32 -51.38 70.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.559 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -57.46 -64.53 0.86 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.554 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.497 ' N ' HD12 ' A' ' 20' ' ' LEU . 8.9 mp -51.95 -61.03 2.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.501 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -44.42 -39.86 5.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.56 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.6 tt -70.98 -35.5 72.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.525 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 19.9 mtp180 -68.55 -43.98 75.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.493 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 39.4 mt -70.1 -38.21 74.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.508 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.95 -48.64 75.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.536 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 72.4 mm-40 -68.15 -36.69 80.08 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.386 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.408 ' O ' ' N ' ' A' ' 31' ' ' LEU . 70.6 m -70.66 -58.08 4.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.761 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -58.37 -35.47 72.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.309 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.88 -37.08 70.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.278 179.753 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -81.55 -25.16 36.08 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.576 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.408 ' N ' ' O ' ' A' ' 27' ' ' SER . 3.2 mt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.412 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 52.5 m . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.776 0.322 . . . . 0.0 110.578 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -68.14 -23.87 64.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.481 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -58.07 -42.09 84.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.532 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.56 -47.19 82.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.42 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 90.1 mm-40 -55.53 -51.54 66.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.532 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.74 -41.47 91.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.616 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -60.86 -66.71 0.49 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.662 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 32.1 mt -47.81 -40.33 20.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.512 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.45 -47.85 84.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.609 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 17.5 mt -67.17 -34.43 77.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.548 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 54.1 ttt180 -76.36 -34.98 58.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.569 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 20.1 ttp85 -80.82 -16.5 53.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.307 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.0 t -64.53 150.53 46.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.599 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.584 HD22 ' N ' ' A' ' 46' ' ' LEU . 3.6 mm? -68.19 -14.17 62.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.386 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -70.34 -26.86 63.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.632 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 90.2 p . . . . . 0 C--N 1.331 -0.213 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.562 179.966 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 25.6 p . . . . . 0 CA--C 1.529 0.159 0 N-CA-C 110.482 -0.192 . . . . 0.0 110.482 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.461 ' O ' ' HB2' ' A' ' 67' ' ' ALA . 81.5 Cg_exo -39.1 -40.11 1.6 Allowed 'Trans proline' 0 C--N 1.31 -1.478 0 C-N-CA 122.566 2.177 . . . . 0.0 112.273 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 65.5 tt0 -63.9 -42.39 97.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.693 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -60.88 -67.8 0.37 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.611 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.581 ' SD ' ' N ' ' A' ' 67' ' ' ALA . 0.0 OUTLIER -53.05 -35.7 59.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.708 -179.812 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.581 ' N ' ' SD ' ' A' ' 66' ' ' MET . . . -59.93 -57.89 10.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.547 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 54.8 tttm -59.69 -51.42 69.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.568 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -47.96 -49.48 30.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.578 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 28.5 mmt -60.39 -57.63 11.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.524 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 39.0 m -53.98 -26.73 27.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.569 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 49.3 mm-40 -83.55 -37.21 23.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.519 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -75.98 -53.26 8.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.572 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 23.4 mt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.495 -179.949 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.465 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 22.0 pt20 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.796 0.331 . . . . 0.0 110.551 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -50.49 -60.03 3.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.526 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -48.99 -34.39 12.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.658 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.465 ' HB3' ' O ' ' A' ' 6' ' ' GLN . . . -66.31 -66.69 0.52 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.783 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.497 HG13 ' N ' ' A' ' 11' ' ' LEU . 6.9 p -59.54 -44.36 92.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.645 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.497 ' N ' HG13 ' A' ' 10' ' ' VAL . 77.0 mt -54.87 -59.77 4.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.428 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -55.57 -46.09 77.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.508 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 38.7 tp60 -56.56 -43.81 80.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.494 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -65.13 -53.14 49.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.466 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 26.8 mmm-85 -50.8 -50.77 55.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.456 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 53.9 ttm-85 -61.69 -61.12 2.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.567 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -43.93 -45.51 7.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.477 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 17.1 mtp-105 -62.19 -53.01 61.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.505 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -49.43 -63.74 1.01 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.498 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.512 ' N ' HD12 ' A' ' 20' ' ' LEU . 9.1 mp -51.53 -64.03 0.94 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.379 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -42.06 -39.43 1.95 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.692 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.1 tp -66.78 -41.36 87.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.359 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.421 ' N ' ' O ' ' A' ' 20' ' ' LEU . 43.5 mtp85 -64.85 -44.02 91.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.365 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 45.7 mt -65.36 -38.06 81.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.458 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.74 -51.59 64.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.542 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -64.75 -32.44 74.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.427 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 9.3 t -74.62 -59.65 2.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.695 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -59.16 -26.01 64.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.569 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -81.7 -40.35 22.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.586 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -78.15 -24.9 47.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.684 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.6 mt . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.355 -179.999 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.0 m . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.787 0.327 . . . . 0.0 110.539 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -45.61 -26.07 0.55 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.578 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -58.95 -36.94 75.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.563 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.9 -52.51 49.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.539 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 70.1 mm-40 -57.63 -50.56 72.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.575 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.35 -50.92 68.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.491 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -57.73 -59.0 5.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.583 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 17.4 mt -49.3 -43.36 43.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.517 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' A' ' 45' ' ' SER . . . -66.91 -53.61 30.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.561 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.7 mt -55.29 -33.06 62.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.59 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 60.1 ttt-85 -80.74 -40.29 25.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.506 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.437 ' O ' ' O ' ' A' ' 45' ' ' SER . 16.9 ttp85 -79.27 -15.66 57.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.326 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.479 ' N ' ' O ' ' A' ' 41' ' ' ALA . 60.2 m -54.05 -166.38 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.634 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.526 HD22 ' N ' ' A' ' 46' ' ' LEU . 3.8 mm? -57.24 -12.67 2.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.471 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -77.72 21.37 0.3 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.606 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.417 ' H ' ' C ' ' A' ' 46' ' ' LEU . 24.8 t . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.602 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.424 ' O ' ' N ' ' A' ' 65' ' ' GLN . 1.4 p . . . . . 0 CA--C 1.53 0.195 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -38.55 -37.22 0.7 Allowed 'Trans proline' 0 C--N 1.311 -1.41 0 C-N-CA 122.44 2.094 . . . . 0.0 112.206 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 60.1 tt0 -66.62 -40.43 88.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.571 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.424 ' N ' ' O ' ' A' ' 62' ' ' THR . 14.5 mm100 -56.26 -58.4 8.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.574 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 37.8 mtm -61.65 -53.78 51.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.611 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -49.74 -53.99 21.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.587 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 49.7 tttm -54.04 -51.82 62.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.549 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 88.4 mt-10 -55.35 -51.07 67.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.517 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 24.7 mtt -54.66 -63.31 1.19 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.574 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 31.4 m -52.99 -44.48 67.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.617 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.413 ' O ' ' OE2' ' A' ' 72' ' ' GLU . 5.0 tm-20 -60.52 -33.0 72.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.565 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -80.88 -53.43 6.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.543 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 34.6 mt . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.61 179.995 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.429 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 46.8 tt0 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.726 0.298 . . . . 0.0 110.615 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -49.2 -60.34 2.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.642 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -50.47 -34.45 24.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.658 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.429 ' HB3' ' O ' ' A' ' 6' ' ' GLN . . . -67.03 -67.11 0.48 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.794 -179.724 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.501 HG13 ' N ' ' A' ' 11' ' ' LEU . 7.2 p -58.53 -43.27 86.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.815 -179.664 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.501 ' N ' HG13 ' A' ' 10' ' ' VAL . 84.1 mt -57.26 -58.88 6.3 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.394 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 -53.7 -48.74 69.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.41 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 53.5 tp60 -51.81 -43.07 62.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.392 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -65.78 -47.56 74.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.567 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 60.0 mtt-85 -50.99 -55.89 15.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.435 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 64.5 mtp85 -61.08 -57.61 11.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.518 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -40.51 -47.37 2.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.689 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -68.04 -53.08 28.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.534 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -54.57 -58.78 6.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.627 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.463 ' N ' HD12 ' A' ' 20' ' ' LEU . 9.8 mp -56.44 -61.05 2.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.486 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -43.61 -38.51 3.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.613 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 17.7 tp -68.81 -44.02 74.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.309 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 33.9 mtp85 -59.54 -54.01 51.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.385 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 16.0 mt -58.46 -46.21 89.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.499 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.43 -58.34 7.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.893 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.37 -23.05 66.88 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.111 -179.446 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 18.8 t -67.79 -61.13 2.02 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.908 0.385 . . . . 0.0 110.056 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -60.7 -39.84 89.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.981 179.395 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.75 -38.24 87.24 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.71 -179.542 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -85.26 -19.19 31.98 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.8 mt . . . . . 0 C--N 1.328 -0.345 0 CA-C-O 121.025 0.441 . . . . 0.0 110.045 -179.715 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.528 0.124 0 CA-C-O 120.935 0.398 . . . . 0.0 111.466 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -45.96 -38.22 7.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.656 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -47.19 -51.43 18.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.629 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.11 -53.99 45.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.616 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 81.9 mm-40 -52.39 -43.29 64.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.589 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.47 -51.22 69.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.603 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -54.59 -59.76 4.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.581 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 32.6 mt -52.0 -41.25 62.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.554 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.95 -58.74 7.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.596 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 17.5 mt -52.18 -37.74 55.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.51 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 63.1 ttt180 -70.51 -48.13 57.1 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.575 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 31.3 ttm-85 -59.88 -16.18 27.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.733 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 11.8 t -71.46 124.97 25.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.7 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.481 ' C ' ' H ' ' A' ' 48' ' ' SER . 7.2 tp -67.36 -33.11 74.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.498 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -72.33 14.77 0.21 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.595 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.481 ' H ' ' C ' ' A' ' 46' ' ' LEU . 7.7 t . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.543 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 12.9 p . . . . . 0 CA--C 1.529 0.16 0 N-CA-C 110.431 -0.211 . . . . 0.0 110.431 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -38.84 -44.54 2.4 Favored 'Trans proline' 0 C--N 1.31 -1.496 0 C-N-CA 122.666 2.244 . . . . 0.0 112.292 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.515 ' OE2' ' NZ ' ' A' ' 68' ' ' LYS . 3.9 tp10 -59.66 -48.72 80.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.717 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -55.39 -67.65 0.26 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.717 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.577 ' SD ' ' N ' ' A' ' 67' ' ' ALA . 3.2 ppp? -52.54 -30.22 29.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.79 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.577 ' N ' ' SD ' ' A' ' 66' ' ' MET . . . -72.96 -49.59 28.39 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.637 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.515 ' NZ ' ' OE2' ' A' ' 64' ' ' GLU . 47.4 mttp -67.29 -33.0 74.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.406 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 57.9 mm-40 -70.07 -59.01 3.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.757 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.469 ' CG ' ' N ' ' A' ' 71' ' ' SER . 9.3 ptt? -61.06 -42.49 98.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.651 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.469 ' N ' ' CG ' ' A' ' 70' ' ' MET . 70.0 m -60.74 -52.94 62.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.668 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -61.82 -31.63 71.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.674 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -76.58 -45.94 28.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.688 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 16.7 mt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.648 -179.967 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 30.5 tp60 . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.872 0.368 . . . . 0.0 110.454 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -63.08 -60.47 3.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.472 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.422 ' O ' ' OE1' ' A' ' 12' ' ' GLU . 3.3 tp-100 -50.15 -32.09 15.23 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.671 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.18 -63.51 1.05 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.066 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.7 p -64.16 -30.54 50.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.726 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 11' ' ' LEU . 65.5 mt -67.82 -64.62 0.82 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.544 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.422 ' OE1' ' O ' ' A' ' 8' ' ' GLN . 7.8 pt-20 -56.22 -38.76 71.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.803 0.335 . . . . 0.0 110.589 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.41 ' N ' ' CG ' ' A' ' 12' ' ' GLU . 35.4 tp60 -61.48 -46.56 89.52 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.387 179.765 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 42.4 mm-40 -62.07 -52.93 61.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.286 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 37.5 mtp180 -50.84 -45.89 59.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.372 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 33.4 ttm180 -62.56 -58.67 6.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.475 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -42.37 -44.89 4.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.546 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 85.6 mtt180 -64.6 -51.72 61.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.396 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -47.26 -59.15 3.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.402 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.519 ' N ' HD12 ' A' ' 20' ' ' LEU . 8.6 mp -55.7 -62.77 1.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.225 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -40.61 -38.94 0.95 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.58 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.6 tp -67.02 -48.14 69.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.074 179.667 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 29.3 mtp180 -57.69 -57.46 12.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.012 179.582 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.498 ' O ' ' N ' ' A' ' 27' ' ' SER . 14.1 mt -49.26 -55.62 3.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.812 179.688 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -45.38 -49.94 12.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.011 179.501 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 62.1 mt-30 -66.52 -21.76 66.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.162 179.475 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.498 ' N ' ' O ' ' A' ' 24' ' ' ILE . 4.0 t -76.2 -48.81 19.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.129 179.791 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -69.26 -28.06 65.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.028 179.555 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -79.33 -38.15 35.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.791 -179.688 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -80.06 -25.15 40.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.885 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.1 mt . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.394 -179.849 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 35' ' ' GLU . 5.4 m . . . . . 0 C--O 1.233 0.203 0 CA-C-O 120.77 0.319 . . . . 0.0 110.509 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -45.05 -19.79 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.573 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 33' ' ' SER . 68.1 tt0 -61.22 -46.55 89.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.536 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.49 -50.11 74.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.531 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 81.0 mm-40 -54.49 -47.01 73.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.559 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.61 -57.82 11.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.356 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.414 ' OD1' ' O ' ' A' ' 35' ' ' GLU . 1.8 m-20 -48.16 -53.75 15.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.506 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.7 mt -55.56 -44.16 76.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.449 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.61 -51.3 70.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.606 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 33.7 mt -65.85 -39.04 90.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.537 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 45.0 ttm-85 -70.74 -24.92 62.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.477 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 45.0 ttt180 -80.02 -26.43 39.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.396 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 20.8 t -71.92 99.62 2.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.489 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.486 ' C ' ' H ' ' A' ' 48' ' ' SER . 5.5 tp -69.9 -24.95 63.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.509 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -74.76 24.83 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.586 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.486 ' H ' ' C ' ' A' ' 46' ' ' LEU . 8.4 t . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.585 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.9 p . . . . . 0 C--O 1.232 0.133 0 N-CA-C 110.283 -0.266 . . . . 0.0 110.283 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_exo -37.35 -40.1 0.71 Allowed 'Trans proline' 0 C--N 1.31 -1.451 0 C-N-CA 122.623 2.215 . . . . 0.0 112.35 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -66.97 -44.32 80.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.651 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -59.19 -64.4 0.95 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.733 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.598 ' SD ' ' N ' ' A' ' 67' ' ' ALA . 3.3 ppp? -54.77 -41.3 70.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.661 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.598 ' N ' ' SD ' ' A' ' 66' ' ' MET . . . -59.97 -46.2 90.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.529 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -63.85 -40.5 96.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.547 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -61.13 -54.8 39.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.541 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 67.6 mtp -56.11 -51.56 67.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.556 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 59.5 p -60.6 -37.24 80.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.591 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -73.54 -29.53 62.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.637 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 48.5 t80 -80.28 -65.57 0.99 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.696 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 38.2 mt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.496 -179.928 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.493 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 2.0 pm0 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.845 0.355 . . . . 0.0 110.567 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 21.2 mm100 -42.94 -60.44 1.61 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.621 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -49.79 -33.04 15.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.701 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.493 ' HB3' ' O ' ' A' ' 6' ' ' GLN . . . -69.7 -60.7 2.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.958 -179.703 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.5 p -65.99 -29.32 46.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.735 -179.726 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.409 ' HA ' HD23 ' A' ' 11' ' ' LEU . 59.8 mt -69.52 -62.38 1.4 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.699 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -59.86 -38.28 81.69 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.669 -179.692 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 72.2 tp60 -64.46 -44.49 90.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.576 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -62.42 -52.06 65.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.582 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 15.4 mmm180 -56.85 -46.52 81.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.509 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 56.9 mtt-85 -67.46 -33.65 75.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.454 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -61.62 -60.64 3.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.764 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.4 ptp180 -61.11 -45.97 92.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.702 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -50.56 -63.3 1.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.427 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 8.9 mp -55.52 -59.03 5.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.314 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -45.81 -35.7 4.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.457 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.9 tp -73.8 -42.08 61.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.396 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 29.8 mtp85 -60.52 -47.18 87.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.465 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 19.0 mt -70.87 -39.94 75.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.506 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.58 -45.88 81.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.577 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 77.8 mm-40 -68.78 -36.86 78.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.54 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 31' ' ' LEU . 70.5 m -71.14 -57.3 4.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.734 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -58.72 -36.79 74.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.343 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.19 -38.98 75.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.142 179.637 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -79.56 -25.04 41.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.324 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' A' ' 27' ' ' SER . 3.4 tp . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.554 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.528 0.118 0 CA-C-O 120.788 0.327 . . . . 0.0 111.385 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -45.65 -27.83 0.87 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.637 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -55.46 -44.76 76.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.518 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.86 -46.67 89.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.555 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 64.4 mm-40 -56.45 -62.78 1.49 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.46 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -52.01 -47.72 64.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.599 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 52.1 t0 -54.04 -64.31 0.87 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.651 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 15.1 mt -46.18 -50.23 15.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.534 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.11 -44.66 87.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.558 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 17.7 mt -61.92 -33.6 74.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.493 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 44.9 ttt85 -78.64 -33.46 47.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.537 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 11.8 ttt180 -80.25 7.45 9.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.498 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.453 ' C ' ' N ' ' A' ' 47' ' ' ASP . 88.2 p -65.17 -20.13 66.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.936 -179.719 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.407 HD22 ' N ' ' A' ' 46' ' ' LEU . 4.2 mm? -52.54 -9.67 0.12 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.311 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.453 ' N ' ' C ' ' A' ' 45' ' ' SER . 31.5 p30 -78.26 2.8 17.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.494 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 87.8 p . . . . . 0 C--N 1.331 -0.223 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.546 -179.949 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 16.6 p . . . . . 0 CA--C 1.529 0.14 0 N-CA-C 110.346 -0.242 . . . . 0.0 110.346 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_exo -37.81 -40.97 1.06 Allowed 'Trans proline' 0 C--N 1.31 -1.494 0 C-N-CA 122.541 2.16 . . . . 0.0 112.223 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -67.24 -45.32 77.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.743 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -60.44 -62.84 1.57 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.621 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 18.9 ptm -54.18 -43.97 71.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.504 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -56.58 -47.48 79.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.49 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.413 ' NZ ' ' CB ' ' A' ' 68' ' ' LYS . 9.7 mtpm? -66.83 -60.13 2.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.516 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.407 ' O ' ' N ' ' A' ' 73' ' ' PHE . 88.4 mt-10 -47.09 -49.74 21.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.489 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 28.8 mtt -57.52 -61.24 2.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.51 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 40.8 m -54.84 -31.52 59.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.511 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -80.32 -30.64 38.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.575 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.407 ' N ' ' O ' ' A' ' 69' ' ' GLU . 33.9 t80 -78.54 -48.81 14.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.544 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 19.2 mt . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.47 179.986 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.433 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 17.3 pt20 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.808 0.337 . . . . 0.0 110.698 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -50.84 -60.28 3.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.537 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -48.34 -35.52 12.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.686 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' A' ' 6' ' ' GLN . . . -66.0 -67.1 0.47 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.791 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.514 HG13 ' N ' ' A' ' 11' ' ' LEU . 6.4 p -58.7 -46.51 90.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.563 -179.766 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.514 ' N ' HG13 ' A' ' 10' ' ' VAL . 83.5 mt -52.44 -59.32 4.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.804 0.335 . . . . 0.0 110.311 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 51.8 mm-40 -54.62 -47.33 73.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.527 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 29.4 tp60 -54.38 -44.01 71.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.417 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -62.94 -42.55 99.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.185 179.69 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 18.2 mmm-85 -57.09 -43.72 82.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.213 179.64 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 23.6 mmt180 -66.54 -63.72 1.01 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.462 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -41.4 -43.64 2.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.879 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.6 mmp_? -68.11 -48.21 66.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.774 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -60.31 -49.77 76.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.885 0.374 . . . . 0.0 110.361 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.6 mt -57.59 -62.51 1.74 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.416 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -47.92 -37.28 13.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.568 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.5 tp -68.29 -38.17 81.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.52 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 39.8 mtp180 -66.42 -47.79 72.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.503 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 37.5 mt -64.59 -38.42 82.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.541 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.3 -45.73 86.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.584 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -69.72 -31.56 69.64 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.382 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 9.3 t -74.16 -54.63 7.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.576 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -64.08 -31.65 72.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.455 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -74.15 -43.34 57.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.599 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -75.96 -24.88 55.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.516 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.2 tp . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.836 179.741 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.6 m . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.768 0.318 . . . . 0.0 110.536 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -55.55 -37.78 68.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.595 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -44.92 -42.4 8.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.571 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.07 -45.96 89.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.556 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 62.8 mm-40 -58.42 -45.94 87.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.593 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.12 -54.26 47.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.488 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -53.31 -64.86 0.68 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.608 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 12.6 mt -44.58 -50.44 9.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.572 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.35 -41.9 80.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.344 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 15.1 mt -69.21 -21.34 63.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.373 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 34.2 ttm180 -79.86 -57.8 3.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.425 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.1 ptp85 -64.2 -18.46 64.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.662 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 25.9 t -43.81 148.61 0.36 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.72 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.523 ' C ' ' H ' ' A' ' 48' ' ' SER . 4.1 tp -70.27 -15.91 62.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.555 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 50.3 p-10 -71.07 18.89 0.06 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.711 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.523 ' H ' ' C ' ' A' ' 46' ' ' LEU . 35.4 t . . . . . 0 C--N 1.332 -0.188 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.44 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.2 p . . . . . 0 CA--C 1.531 0.244 0 N-CA-C 110.601 -0.148 . . . . 0.0 110.601 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_exo -41.87 -37.34 4.09 Favored 'Trans proline' 0 N--CA 1.491 1.347 0 C-N-CA 122.349 2.032 . . . . 0.0 112.205 179.69 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 48.7 tt0 -59.1 -56.77 17.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.57 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -52.41 -62.89 1.35 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.567 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 37.7 mtm -47.49 -50.07 24.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.489 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -52.26 -55.24 22.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.517 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.4 mtpm? -62.71 -57.96 9.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.552 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -44.97 -47.79 11.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.471 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 33.3 mtt -61.41 -54.71 39.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.466 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 24.2 p -50.22 -42.62 51.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.643 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -73.67 -30.3 62.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.526 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 62.3 t80 -75.33 -60.99 2.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.608 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 34.0 mt . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.401 179.947 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.457 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 12.3 pt20 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.831 0.348 . . . . 0.0 110.456 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -45.94 -59.99 2.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.543 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -49.19 -35.34 16.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.687 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.457 ' HB3' ' O ' ' A' ' 6' ' ' GLN . . . -66.77 -66.92 0.49 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.481 HG13 ' N ' ' A' ' 11' ' ' LEU . 6.1 p -57.87 -45.1 87.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.687 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.481 ' N ' HG13 ' A' ' 10' ' ' VAL . 78.9 mt -54.92 -56.36 20.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.35 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -56.21 -47.16 78.94 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.532 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 49.3 tp60 -53.66 -41.29 66.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.511 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -67.02 -51.95 48.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.441 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 10.5 mmm180 -49.66 -57.09 7.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.43 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 56.9 ttt180 -60.71 -55.44 33.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.522 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -43.92 -46.61 8.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.706 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 -64.53 -52.96 55.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.647 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -47.08 -63.3 1.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.584 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.542 ' N ' HD12 ' A' ' 20' ' ' LEU . 8.5 mp -55.76 -62.79 1.46 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.427 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -41.69 -40.81 2.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.574 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.4 tp -67.25 -41.84 84.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.353 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.415 ' N ' ' O ' ' A' ' 20' ' ' LEU . 31.8 mtp85 -62.53 -46.28 89.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.43 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 32.6 mt -64.32 -38.78 83.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.409 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.5 -53.46 54.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.612 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -62.75 -32.03 73.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.499 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 16.5 t -74.26 -58.17 3.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.691 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.517 ' O ' ' CD2' ' A' ' 31' ' ' LEU . 1.5 pp20? -62.88 -20.82 65.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.672 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -87.74 -36.34 17.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.922 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -91.75 -20.42 21.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.053 -179.619 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.517 ' CD2' ' O ' ' A' ' 28' ' ' GLU . 3.0 mm? . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.635 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 58.1 m . . . . . 0 CA--C 1.527 0.066 0 CA-C-O 120.782 0.325 . . . . 0.0 110.491 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -59.31 -27.11 65.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.628 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.43 ' CG ' ' N ' ' A' ' 36' ' ' ALA . 14.9 pt-20 -58.06 -42.9 86.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.493 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.43 ' N ' ' CG ' ' A' ' 35' ' ' GLU . . . -63.11 -60.6 3.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.465 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 90.1 mm-40 -48.66 -50.24 33.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.51 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -53.98 -65.49 0.56 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.437 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.428 ' O ' ' N ' ' A' ' 43' ' ' ARG . 26.6 t70 -45.73 -51.74 12.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.54 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 20.2 mt -55.78 -40.28 72.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.428 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.13 -52.94 29.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.714 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 40.3 mt -68.61 -20.76 64.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.502 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.428 ' N ' ' O ' ' A' ' 39' ' ' ASP . 63.1 ttt180 -82.44 -52.96 6.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.567 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 28.3 ptt85 -67.98 -5.15 15.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.533 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.9 p -43.5 130.65 5.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.485 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.444 HD13 ' O ' ' A' ' 46' ' ' LEU . 0.1 OUTLIER -59.41 -43.66 92.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.373 -179.759 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -61.84 -30.51 70.89 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.283 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 27.9 t . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.116 179.83 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.494 ' O ' ' N ' ' A' ' 65' ' ' GLN . 1.4 p . . . . . 0 CA--C 1.53 0.183 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.4 ' O ' ' HB2' ' A' ' 67' ' ' ALA . 85.1 Cg_exo -37.98 -37.84 0.65 Allowed 'Trans proline' 0 C--N 1.311 -1.419 0 C-N-CA 122.495 2.13 . . . . 0.0 112.185 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 75.9 tt0 -67.66 -36.13 80.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.408 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.494 ' N ' ' O ' ' A' ' 62' ' ' THR . 21.1 mm100 -63.92 -65.98 0.61 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.562 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 2.4 ptp -55.89 -39.71 71.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.492 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.4 ' HB2' ' O ' ' A' ' 63' ' ' PRO . . . -56.88 -48.86 77.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.622 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 50.7 tttm -65.63 -53.99 33.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.534 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -55.19 -51.41 66.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.634 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 51.3 mtp -56.2 -63.49 1.17 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.607 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 14.3 t -48.75 -32.33 8.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.522 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -72.43 -39.7 67.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.559 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -67.7 -50.27 58.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.614 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 33.7 mt . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.444 179.985 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.448 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 56.0 tt0 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.849 0.357 . . . . 0.0 110.545 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 62.9 mm-40 -42.95 -60.21 1.7 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.641 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -50.04 -37.11 31.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.595 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.448 ' HB3' ' O ' ' A' ' 6' ' ' GLN . . . -65.71 -67.09 0.47 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.797 -179.756 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.52 HG13 ' N ' ' A' ' 11' ' ' LEU . 6.2 p -56.95 -47.58 83.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.746 -179.732 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.52 ' N ' HG13 ' A' ' 10' ' ' VAL . 86.4 mt -53.39 -60.48 3.24 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.904 -0.318 . . . . 0.0 110.469 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -54.25 -42.15 69.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.557 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.5 tp-100 -62.98 -46.88 85.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.586 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -58.45 -56.4 22.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.516 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 76.0 mtt180 -50.78 -54.03 26.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.473 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 27.7 ttp180 -58.74 -50.43 73.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.62 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -47.63 -50.87 23.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.577 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 51.6 mtm180 -62.15 -48.46 79.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.636 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -49.13 -65.86 0.5 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.556 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.511 ' N ' HD12 ' A' ' 20' ' ' LEU . 8.4 mp -54.19 -60.58 3.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.529 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -41.78 -38.17 1.42 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.552 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.7 tp -71.56 -44.3 64.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.384 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.0 mtm180 -60.5 -51.19 70.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.455 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 17.2 mt -63.18 -42.41 96.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.372 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.25 -42.4 99.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.492 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 87.1 mm-40 -72.2 -32.4 66.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.361 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.7 t -72.06 -55.12 7.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.46 179.787 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.405 ' CD ' ' N ' ' A' ' 29' ' ' ALA . 2.0 pp20? -62.79 -37.28 86.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.3 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.405 ' N ' ' CD ' ' A' ' 28' ' ' GLU . . . -67.15 -43.9 81.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.378 179.805 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.2 mm-40 -76.03 -25.07 55.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.295 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.2 tp . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.63 179.731 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.529 0.137 0 CA-C-O 120.883 0.373 . . . . 0.0 111.473 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.414 ' N ' ' OD1' ' A' ' 34' ' ' ASP . 25.4 p-10 -44.86 -36.42 3.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.655 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 45.4 tp10 -47.82 -54.06 13.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.607 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.18 -54.54 20.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.612 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 67.3 mm-40 -54.26 -59.92 4.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.602 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.1 -56.92 10.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.575 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -46.74 -66.29 0.43 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.551 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 17.3 mt -48.08 -47.98 33.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.497 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.89 -40.01 79.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.592 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 16.8 mt -75.84 -20.09 58.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.522 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 26.9 ttm105 -77.51 -42.48 35.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.477 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -80.94 0.96 33.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.627 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 97.7 p -45.43 118.36 1.72 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.573 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.563 ' H ' HD23 ' A' ' 46' ' ' LEU . 0.1 OUTLIER -77.72 -48.74 15.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.494 -179.916 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 35.3 t0 -66.56 -17.9 65.07 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.552 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.416 ' O ' ' OG ' ' A' ' 48' ' ' SER . 15.9 t . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.559 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.8 p . . . . . 0 CA--C 1.531 0.212 0 CA-C-O 120.491 0.186 . . . . 0.0 110.516 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -40.15 -42.76 3.57 Favored 'Trans proline' 0 C--N 1.311 -1.405 0 C-N-CA 122.475 2.117 . . . . 0.0 112.087 179.658 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -64.95 -51.86 59.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.549 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -47.5 -53.99 12.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.523 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 60.5 mtm -63.39 -49.47 73.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.461 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -48.01 -50.42 27.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.546 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 62.9 tttt -64.31 -53.83 42.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.615 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -49.28 -47.95 46.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.589 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 56.7 mtt -61.96 -64.1 1.04 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.62 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 18.2 t -46.36 -35.94 5.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.643 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -79.15 -34.08 43.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.62 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -69.32 -56.93 6.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.6 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.412 ' H ' ' HG ' ' A' ' 74' ' ' LEU . 47.4 mt . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.611 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.478 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 25.3 pt20 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.835 0.35 . . . . 0.0 110.552 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 23.0 mm100 -45.64 -60.5 2.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.627 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.8 tp60 -48.44 -33.88 10.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.883 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.478 ' HB3' ' O ' ' A' ' 6' ' ' GLN . . . -68.61 -64.41 0.87 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.969 -179.744 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 5.0 p -62.13 -30.61 49.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.723 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' A' ' 11' ' ' LEU . 59.0 mt -68.18 -66.63 0.54 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.598 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -56.22 -35.29 67.16 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.553 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 66.0 tp60 -63.87 -46.77 83.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.393 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -66.96 -56.68 9.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.534 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 77.6 mtt180 -48.3 -48.88 35.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.476 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 57.1 ttt180 -60.89 -62.05 2.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.57 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 36.5 t0 -41.56 -54.03 3.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.651 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 85.6 mtt-85 -56.35 -54.27 47.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.519 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -48.49 -67.75 0.24 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.534 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.469 ' N ' HD12 ' A' ' 20' ' ' LEU . 9.9 mp -45.18 -63.93 0.83 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.486 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -45.96 -36.94 5.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.629 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.2 tp -72.07 -40.09 68.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.527 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 25.1 mtm180 -63.76 -47.98 78.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.485 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 25.1 mt -67.79 -38.56 80.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.594 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.28 -44.37 71.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.639 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 77.4 mm-40 -67.03 -36.61 82.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.745 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 37.9 t -71.29 -57.92 4.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.755 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -59.95 -31.85 70.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.584 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.74 -45.77 60.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.59 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -79.35 -25.23 42.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.664 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.2 tp . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.822 179.854 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.2 m . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.786 0.327 . . . . 0.0 110.689 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -49.02 -30.04 5.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.373 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -54.07 -51.94 62.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.413 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.66 -60.59 3.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.478 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.406 ' HG2' ' H ' ' A' ' 37' ' ' GLN . 3.3 mm100 -44.93 -46.85 11.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.475 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.25 -45.25 93.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.539 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -59.38 -65.98 0.58 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.612 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.47 ' N ' HD12 ' A' ' 40' ' ' LEU . 10.2 mp -45.14 -44.86 11.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.399 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.97 -45.33 93.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.547 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 13.3 mt -67.23 -40.6 86.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.41 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 51.4 ttm-85 -67.43 -30.6 70.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.487 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 47.6 ttt180 -85.98 -38.07 18.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.409 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 66.4 m -98.85 78.47 2.31 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.569 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.537 ' C ' ' H ' ' A' ' 48' ' ' SER . 3.2 tp -70.35 -11.5 60.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.417 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -64.84 10.1 0.08 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.808 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.537 ' H ' ' C ' ' A' ' 46' ' ' LEU . 29.4 t . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.644 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.421 ' O ' ' N ' ' A' ' 65' ' ' GLN . 40.7 p . . . . . 0 CA--C 1.53 0.192 0 N-CA-C 110.352 -0.24 . . . . 0.0 110.352 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 80.4 Cg_exo -38.25 -39.26 0.98 Allowed 'Trans proline' 0 C--N 1.31 -1.462 0 C-N-CA 122.457 2.105 . . . . 0.0 112.242 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -63.59 -40.36 96.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.655 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.421 ' N ' ' O ' ' A' ' 62' ' ' THR . 74.3 mt-30 -65.91 -67.54 0.44 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.62 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 6.0 ptm -49.69 -42.64 46.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.628 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.22 -61.98 2.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.593 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -46.45 -50.0 17.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.492 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.503 ' O ' ' N ' ' A' ' 73' ' ' PHE . 27.1 mm-40 -57.35 -58.23 9.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.637 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 54.4 mtt -48.75 -53.46 18.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.516 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.7 t -56.86 -38.6 72.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.535 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -79.76 -22.66 42.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.566 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.503 ' N ' ' O ' ' A' ' 69' ' ' GLU . 35.0 t80 -82.11 -59.64 2.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.591 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 22.5 mt . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.428 -179.987 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.504 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 9.1 pt20 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.864 0.364 . . . . 0.0 110.598 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -47.16 -60.37 2.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.506 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 34.3 mm-40 -47.38 -30.55 3.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.698 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.504 ' HB3' ' O ' ' A' ' 6' ' ' GLN . . . -72.3 -62.96 1.25 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.642 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.5 p -62.38 -31.49 51.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.498 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 79.3 mt -68.91 -51.86 35.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.28 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.6 mm-40 -63.6 -35.28 80.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.576 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 11.6 tp-100 -70.67 -39.71 73.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.612 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 79.8 mt-10 -66.25 -58.56 5.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.553 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.469 ' CG ' ' N ' ' A' ' 16' ' ' ARG . 5.8 ptm180 -57.55 -44.78 85.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.37 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.469 ' N ' ' CG ' ' A' ' 15' ' ' ARG . 41.2 ttm180 -63.3 -51.09 67.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.337 179.816 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -48.86 -48.74 41.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.412 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 23.7 mmt180 -60.97 -51.71 68.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.472 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 54.8 mm-40 -46.28 -58.43 3.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.605 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.438 ' N ' HD12 ' A' ' 20' ' ' LEU . 10.9 mp -58.54 -66.11 0.54 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.361 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -40.76 -36.65 0.65 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.668 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.9 tp -67.38 -52.55 38.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.286 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 33.9 mtp180 -53.29 -57.52 10.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.193 179.676 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 10.8 mt -50.96 -56.79 3.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.121 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -48.46 -44.98 36.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.288 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 94.2 mm-40 -69.19 -22.43 63.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.736 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.425 ' O ' ' N ' ' A' ' 31' ' ' LEU . 31.5 t -77.91 -51.16 10.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.872 0.367 . . . . 0.0 110.294 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -68.69 -27.71 66.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.791 179.516 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -78.37 -41.69 32.59 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.699 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -87.73 -26.03 23.13 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.739 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.425 ' N ' ' O ' ' A' ' 27' ' ' SER . 7.1 mt . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.795 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.464 ' C ' ' N ' ' A' ' 35' ' ' GLU . 2.4 p . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.958 0.408 . . . . 0.0 110.302 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -49.17 -14.56 0.09 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.038 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.468 ' CG ' ' N ' ' A' ' 36' ' ' ALA . 16.6 pt-20 -60.53 -44.13 96.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.342 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.468 ' N ' ' CG ' ' A' ' 35' ' ' GLU . . . -53.41 -48.46 68.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.208 179.729 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -63.56 -60.03 3.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.478 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -47.18 -50.22 21.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.392 179.766 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -56.22 -52.57 63.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.474 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.665 HD23 HH22 ' A' ' 43' ' ' ARG . 10.2 mt -50.49 -51.48 46.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.36 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.47 -34.97 76.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.683 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 13.7 mt -72.62 -38.78 67.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.661 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.665 HH22 HD23 ' A' ' 40' ' ' LEU . 20.0 ttp-105 -75.86 -45.35 36.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.588 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 33.0 ttt180 -59.85 -16.22 27.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.484 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.3 t -87.85 95.5 10.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.472 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.611 HD22 ' N ' ' A' ' 46' ' ' LEU . 3.5 mm? -71.14 -14.89 62.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.385 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -71.54 3.47 3.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.575 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 93.6 p . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.491 -179.972 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.528 0.123 0 N-CA-C 110.166 -0.309 . . . . 0.0 110.166 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_endo -57.55 -41.1 74.96 Favored 'Trans proline' 0 C--N 1.309 -1.509 0 C-N-CA 122.56 2.173 . . . . 0.0 111.907 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 49.7 tt0 -64.19 -36.33 83.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.575 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -67.15 -67.89 0.42 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.472 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 11.5 ptm -48.48 -42.32 32.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.451 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.09 -51.81 68.45 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.45 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 12.5 tptp -57.19 -50.5 72.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.377 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -51.68 -45.71 63.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.426 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 4.1 mmt -58.64 -57.31 13.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.447 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 23.1 t -54.03 -28.38 38.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.407 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 86.0 mt-10 -84.25 -36.54 22.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.572 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -71.76 -32.12 67.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.628 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 15.3 mt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.454 179.962 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.467 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 14.4 pt20 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.953 0.406 . . . . 0.0 110.279 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 28.1 mm100 -46.19 -60.12 2.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.458 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.4 mm100 -46.89 -34.42 5.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.639 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.467 ' HB3' ' O ' ' A' ' 6' ' ' GLN . . . -69.41 -65.16 0.75 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.812 -179.769 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.4 p -60.99 -29.79 46.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.734 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 53.7 mt -67.17 -58.8 4.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.353 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -61.29 -35.43 77.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.559 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 35.2 tp60 -70.74 -37.4 73.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.732 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -67.12 -57.29 7.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.481 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.429 ' CG ' ' N ' ' A' ' 16' ' ' ARG . 11.3 ptm180 -58.76 -42.91 90.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.381 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.429 ' N ' ' CG ' ' A' ' 15' ' ' ARG . 21.5 ttm180 -66.62 -53.47 33.87 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.298 179.62 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -47.4 -45.04 24.93 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.317 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 40.5 mtt-85 -63.99 -55.44 22.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.287 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -43.6 -61.23 1.46 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.509 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.502 ' N ' HD12 ' A' ' 20' ' ' LEU . 8.8 mp -57.73 -61.91 2.18 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.314 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -44.66 -34.19 2.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.581 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.4 tp -69.92 -47.64 61.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.242 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 27.5 mtp180 -58.18 -58.39 8.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.058 179.584 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.47 ' O ' ' N ' ' A' ' 27' ' ' SER . 11.8 mt -52.74 -58.22 3.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.975 179.736 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -45.93 -44.23 14.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.246 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -70.8 -23.92 62.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.479 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.502 ' O ' ' N ' ' A' ' 31' ' ' LEU . 10.2 t -74.8 -48.97 22.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.133 179.793 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -68.38 -34.09 75.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.831 179.46 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.46 -39.39 70.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.608 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.494 ' C ' HD23 ' A' ' 31' ' ' LEU . 49.5 mt-10 -89.36 -24.36 21.98 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.742 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.502 ' N ' ' O ' ' A' ' 27' ' ' SER . 0.9 OUTLIER . . . . . 0 N--CA 1.467 0.389 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.899 -179.844 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.9 p . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.813 0.34 . . . . 0.0 110.545 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.0 p-10 -53.18 -37.21 61.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.504 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 65.4 tt0 -43.79 -38.45 3.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.674 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.48 -54.53 42.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.563 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 55.7 mm-40 -60.47 -43.86 96.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.555 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.01 -51.85 67.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.547 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.497 ' O ' ' N ' ' A' ' 43' ' ' ARG . 52.4 m-20 -58.67 -55.0 40.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.552 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 14.9 mt -52.28 -42.88 64.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.526 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.73 -44.15 78.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.541 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 18.2 mt -74.43 -21.14 59.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.446 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.497 ' N ' ' O ' ' A' ' 39' ' ' ASP . 49.4 ttp180 -78.24 -48.04 16.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.514 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -71.63 -28.36 63.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.556 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.474 ' C ' ' N ' ' A' ' 47' ' ' ASP . 46.4 m -69.84 84.89 0.48 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.533 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.432 ' C ' ' H ' ' A' ' 48' ' ' SER . 3.9 tp -45.8 -16.67 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.571 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.474 ' N ' ' C ' ' A' ' 45' ' ' SER . 13.0 t70 -74.53 14.25 0.5 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.57 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.432 ' H ' ' C ' ' A' ' 46' ' ' LEU . 11.9 p . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.579 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 7.7 p . . . . . 0 CA--C 1.53 0.176 0 CA-C-O 120.466 0.174 . . . . 0.0 110.644 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -41.52 -49.28 5.2 Favored 'Trans proline' 0 C--N 1.311 -1.402 0 C-N-CA 122.509 2.14 . . . . 0.0 112.215 179.677 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -54.97 -54.08 47.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.594 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -51.18 -50.21 59.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.609 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 27.8 mtm -61.53 -35.58 78.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.659 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.412 ' O ' ' CB ' ' A' ' 71' ' ' SER . . . -63.91 -57.78 8.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.733 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 38.9 tttm -58.56 -38.64 78.29 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.689 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -67.13 -59.2 3.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.025 -179.722 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.468 ' CG ' ' N ' ' A' ' 71' ' ' SER . 4.2 ptt? -64.13 -42.8 96.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.839 -179.549 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.468 ' N ' ' CG ' ' A' ' 70' ' ' MET . 49.4 m -58.64 -49.7 76.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.679 -179.781 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -65.75 -34.58 78.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.699 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -73.55 -61.39 1.85 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.714 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 21.5 mt . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.647 -179.937 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.451 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 28.3 pt20 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.829 0.347 . . . . 0.0 110.575 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -49.24 -60.08 3.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.426 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.427 HE22 ' HB3' ' A' ' 12' ' ' GLU . 0.1 OUTLIER -44.32 -35.12 2.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.59 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.451 ' HB3' ' O ' ' A' ' 6' ' ' GLN . . . -70.1 -64.72 0.83 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.976 -179.716 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.0 p -60.97 -26.3 38.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 C-N-CA 120.809 -0.357 . . . . 0.0 110.472 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 11' ' ' LEU . 45.2 mt -69.63 -59.98 2.61 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.791 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.427 ' HB3' HE22 ' A' ' 8' ' ' GLN . 14.0 pt-20 -65.37 -28.33 69.19 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.597 -0.441 . . . . 0.0 110.442 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 37.3 tp60 -73.79 -42.36 61.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.558 -179.554 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -72.65 -41.96 64.87 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 120.285 -0.566 . . . . 0.0 110.956 -179.389 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.471 ' CG ' ' N ' ' A' ' 16' ' ' ARG . 30.1 ptt85 -69.19 -42.72 75.44 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.556 -0.458 . . . . 0.0 110.026 179.723 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.471 ' N ' ' CG ' ' A' ' 15' ' ' ARG . 64.7 ttt180 -62.91 -46.2 88.95 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.897 0.38 . . . . 0.0 110.123 179.515 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -58.59 -48.72 80.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.324 179.693 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 12.8 mmp_? -61.87 -47.15 86.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.424 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -53.53 -67.22 0.27 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.538 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.9 mp -51.15 -61.05 2.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.442 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -41.47 -38.26 1.24 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.691 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.4 tp -69.23 -48.42 61.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.253 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 44.5 mtp85 -54.77 -57.17 12.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.159 179.671 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 10.5 mt -54.16 -53.1 31.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.086 179.731 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -49.68 -46.51 50.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.196 179.739 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 91.7 mm-40 -71.11 -20.57 62.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.42 179.79 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.8 t -72.95 -55.56 6.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.313 -0.403 . . . . 0.0 109.978 179.696 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -64.82 -39.35 93.43 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.862 179.411 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.61 -42.81 98.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.535 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -75.86 -24.65 55.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.416 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.7 tp . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.677 179.825 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.429 ' O ' ' OE1' ' A' ' 37' ' ' GLN . 58.4 m . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.841 0.353 . . . . 0.0 110.582 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.413 ' O ' ' OD1' ' A' ' 34' ' ' ASP . 9.9 t0 -61.45 -21.56 64.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.683 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 21.0 pt-20 -59.81 -33.16 71.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.706 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -70.93 -57.42 4.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.59 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.539 ' CD ' ' H ' ' A' ' 37' ' ' GLN . 24.9 mp0 -58.93 -44.9 91.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.579 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.32 -51.32 70.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.494 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -59.23 -70.44 0.16 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.432 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.1 mt -40.81 -43.9 2.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.638 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.93 -45.68 91.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.591 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 15.7 mt -60.92 -37.93 84.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.558 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 59.7 mtt180 -75.17 -34.77 61.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.454 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 26.4 ttt180 -71.4 -1.99 14.97 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.735 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 32.2 t -89.71 -16.15 30.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.655 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.548 HD22 ' N ' ' A' ' 46' ' ' LEU . 3.6 mm? -66.32 -13.1 60.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.478 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -77.14 -23.67 51.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.521 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 10.6 t . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.6 -179.933 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 43.7 p . . . . . 0 CA--C 1.531 0.227 0 N-CA-C 110.363 -0.236 . . . . 0.0 110.363 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -39.14 -35.55 0.65 Allowed 'Trans proline' 0 C--N 1.311 -1.422 0 C-N-CA 122.474 2.116 . . . . 0.0 112.207 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 53.4 tt0 -61.1 -50.9 71.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.803 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -59.73 -67.98 0.33 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.707 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.602 ' SD ' ' N ' ' A' ' 67' ' ' ALA . 5.0 ppp? -46.48 -39.47 10.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.726 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.602 ' N ' ' SD ' ' A' ' 66' ' ' MET . . . -69.33 -59.02 3.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.484 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.422 ' O ' ' OE2' ' A' ' 72' ' ' GLU . 19.7 tptm -52.37 -52.28 54.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.401 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 76.9 mt-10 -55.6 -56.52 19.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.464 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 39.0 mmm -49.85 -44.4 49.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.376 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 19.7 m -57.76 -48.37 79.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.567 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.443 ' N ' ' OE1' ' A' ' 72' ' ' GLU . 0.3 OUTLIER -73.47 -26.65 61.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.608 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -71.62 -57.31 4.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.466 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 22.8 mt . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.583 -179.952 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.784 0.326 . . . . 0.0 110.585 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -60.71 -60.4 3.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.591 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -50.04 -34.35 21.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.818 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.94 -67.13 0.48 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.05 -179.678 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.488 HG13 ' N ' ' A' ' 11' ' ' LEU . 13.8 p -58.34 -41.25 80.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.729 -179.584 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.488 ' N ' HG13 ' A' ' 10' ' ' VAL . 82.1 mt -59.61 -60.47 3.79 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.903 -0.319 . . . . 0.0 110.356 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -50.41 -49.76 53.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.418 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 40.4 tp60 -54.37 -44.04 71.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.484 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -65.56 -53.33 43.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.581 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 34.0 mmt180 -46.62 -52.01 14.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.568 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -64.77 -58.66 5.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.583 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -42.53 -47.76 5.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.611 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 48.4 mtm180 -64.23 -54.92 25.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.527 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -45.73 -62.41 1.31 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.498 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.524 ' N ' HD12 ' A' ' 20' ' ' LEU . 8.2 mp -55.57 -65.03 0.66 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.43 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -40.41 -38.31 0.81 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.694 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.4 tp -66.5 -51.04 60.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.296 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 33.8 mtp85 -53.74 -56.36 18.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.145 179.708 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 11.7 mt -51.46 -53.95 13.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.086 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -48.76 -47.1 41.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.118 179.722 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 96.7 mm-40 -68.52 -22.22 64.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.427 179.739 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 31' ' ' LEU . 6.1 t -74.45 -55.99 5.35 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.157 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -60.62 -39.78 89.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.874 179.376 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.02 -48.11 77.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.457 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -75.84 -25.02 55.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.508 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 27' ' ' SER . 5.4 tp . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.645 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 11.5 p . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.803 0.335 . . . . 0.0 110.531 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 35.5 t0 -47.64 -31.22 4.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.436 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.427 ' O ' ' OD1' ' A' ' 39' ' ' ASP . 43.4 tt0 -53.42 -48.81 68.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.511 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.42 -53.6 56.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.546 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 18.0 mm100 -51.47 -49.4 61.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.543 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.76 -36.31 78.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.557 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.427 ' OD1' ' O ' ' A' ' 35' ' ' GLU . 9.6 m-20 -69.93 -47.91 60.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.583 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.9 mt -63.48 -32.6 74.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.454 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -73.11 -53.66 10.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.729 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.568 ' C ' HD12 ' A' ' 42' ' ' LEU . 1.1 pp -67.65 -26.46 66.23 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.558 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 56.8 ttt180 -83.4 -31.12 26.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.515 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 28.6 ttt85 -69.75 -28.13 65.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.418 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.0 t -83.94 126.46 33.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.495 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.604 ' C ' ' H ' ' A' ' 48' ' ' SER . 8.1 mp -80.27 -2.54 45.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.533 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -66.68 25.21 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.755 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.604 ' H ' ' C ' ' A' ' 46' ' ' LEU . 6.8 m . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.706 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.4 p . . . . . 0 CA--C 1.529 0.155 0 N-CA-C 110.259 -0.274 . . . . 0.0 110.259 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_exo -38.19 -39.91 1.07 Allowed 'Trans proline' 0 C--N 1.311 -1.433 0 C-N-CA 122.508 2.138 . . . . 0.0 112.283 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -66.73 -46.7 74.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.614 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 61.4 mt-30 -55.64 -64.56 0.81 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.629 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.503 ' O ' ' SD ' ' A' ' 70' ' ' MET . 8.2 ptm -55.27 -53.04 61.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.69 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.446 ' N ' ' CG ' ' A' ' 66' ' ' MET . . . -45.86 -53.54 9.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.517 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 12.5 tptp -60.81 -61.06 2.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.597 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -46.2 -54.58 8.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.559 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.604 ' N ' ' SD ' ' A' ' 70' ' ' MET . 0.0 OUTLIER -50.59 -57.81 7.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.437 179.939 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 38.1 m -55.11 -26.96 41.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.615 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -78.34 -35.2 47.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.61 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -74.69 -37.15 62.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.54 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 20.0 mt . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.479 179.915 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.461 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 7.4 tt0 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.819 0.342 . . . . 0.0 110.588 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -50.45 -60.19 3.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.567 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -49.22 -34.87 15.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.64 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' A' ' 6' ' ' GLN . . . -65.84 -67.02 0.48 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.775 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.506 HG13 ' N ' ' A' ' 11' ' ' LEU . 7.7 p -59.13 -44.94 92.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.758 -179.817 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.506 ' N ' HG13 ' A' ' 10' ' ' VAL . 76.1 mt -53.54 -54.5 36.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.354 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -60.64 -43.88 97.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.533 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -59.85 -39.09 84.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.586 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 70.9 mt-10 -66.38 -48.29 70.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.539 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 80.3 mtt180 -55.87 -56.2 23.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.504 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 52.1 ttp180 -57.96 -56.81 17.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.457 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -43.8 -44.4 6.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.528 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 16.9 mmt180 -64.76 -53.24 50.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.334 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -45.69 -59.57 2.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.511 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.545 ' N ' HD12 ' A' ' 20' ' ' LEU . 8.4 mp -59.43 -66.34 0.53 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.378 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -39.38 -36.59 0.37 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.671 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.2 tp -68.79 -51.15 44.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.211 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 39.5 mtp180 -58.6 -59.08 5.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.133 179.633 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.468 ' O ' ' N ' ' A' ' 27' ' ' SER . 13.9 mt -49.27 -55.04 4.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.888 179.655 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -45.38 -50.89 11.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.22 179.558 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -67.24 -20.87 65.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.409 179.631 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.485 ' O ' ' N ' ' A' ' 31' ' ' LEU . 5.0 t -76.63 -50.0 14.86 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.17 179.809 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -65.68 -35.25 80.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.95 179.542 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.54 -44.41 64.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.512 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -81.38 -25.18 36.51 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.64 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.485 ' N ' ' O ' ' A' ' 27' ' ' SER . 2.8 mt . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.544 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.456 ' C ' ' N ' ' A' ' 35' ' ' GLU . 6.8 t . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.799 0.333 . . . . 0.0 110.696 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -50.07 -15.22 0.19 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.999 0.428 . . . . 0.0 110.056 179.726 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.456 ' N ' ' C ' ' A' ' 33' ' ' SER . 1.3 pp20? -64.12 -29.4 70.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.452 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.58 -47.01 67.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.332 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.483 ' N ' ' CD ' ' A' ' 37' ' ' GLN . 17.8 mp0 -63.82 -52.61 59.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.32 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.44 -40.89 79.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.353 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.533 ' OD2' ' NH1' ' A' ' 43' ' ' ARG . 15.4 t70 -62.62 -60.36 3.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.484 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.0 mt -46.57 -47.18 19.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.472 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.65 -53.56 56.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.524 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 13.7 mt -57.97 -41.99 84.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.558 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.533 ' NH1' ' OD2' ' A' ' 39' ' ' ASP . 22.3 ttm105 -66.01 -46.19 78.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.506 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 27.1 ttt180 -59.81 -37.62 79.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.481 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 37.3 m -89.8 73.0 7.59 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.551 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.428 ' C ' ' H ' ' A' ' 48' ' ' SER . 5.6 tp -74.37 -30.1 61.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.544 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -63.59 -0.6 0.99 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.632 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.428 ' H ' ' C ' ' A' ' 46' ' ' LEU . 88.7 p . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.55 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.7 p . . . . . 0 CA--C 1.53 0.196 0 N-CA-C 110.408 -0.219 . . . . 0.0 110.408 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.416 ' O ' ' HB2' ' A' ' 67' ' ' ALA . 80.6 Cg_exo -38.77 -44.26 2.3 Favored 'Trans proline' 0 C--N 1.31 -1.454 0 C-N-CA 122.666 2.244 . . . . 0.0 112.453 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -65.25 -45.69 83.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.688 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.493 ' OE1' ' N ' ' A' ' 65' ' ' GLN . 4.4 mp0 -62.18 -63.4 1.25 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.635 -179.812 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.491 ' SD ' ' N ' ' A' ' 67' ' ' ALA . 0.0 OUTLIER -54.03 -36.22 62.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.718 -179.739 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.491 ' N ' ' SD ' ' A' ' 66' ' ' MET . . . -65.18 -64.46 0.86 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.468 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 15.9 tptp -45.19 -54.06 7.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.509 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 72.7 mt-10 -53.35 -52.34 59.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.558 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 7.1 mmt -60.66 -63.04 1.44 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.536 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 38.7 p -45.55 -36.22 4.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.648 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -77.4 -32.04 54.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.537 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -72.99 -53.34 11.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.482 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 37.0 mt . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.458 179.921 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.49 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 15.2 pt20 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.798 0.333 . . . . 0.0 110.342 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 28.0 mm100 -45.37 -60.29 2.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.488 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -47.16 -33.91 5.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.673 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.49 ' HB3' ' O ' ' A' ' 6' ' ' GLN . . . -69.59 -64.86 0.8 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.754 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.8 p -60.71 -30.28 46.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.648 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 57.5 mt -66.52 -61.48 1.97 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.265 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -60.12 -36.3 77.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.495 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -66.05 -45.29 81.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.573 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -64.96 -56.52 12.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.417 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 85.4 mtt-85 -50.5 -53.22 31.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.361 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.416 ' O ' ' N ' ' A' ' 19' ' ' GLU . 39.3 ttp180 -59.32 -62.16 2.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.411 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 16' ' ' ARG . 25.4 t0 -39.59 -41.48 1.03 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.613 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 15.3 mmt85 -68.39 -45.48 72.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.25 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.416 ' N ' ' O ' ' A' ' 16' ' ' ARG . 58.5 mm-40 -55.86 -53.33 58.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.431 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 14.0 mt -60.31 -61.56 2.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.399 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -43.43 -36.51 1.99 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.426 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.4 tp -69.21 -47.92 63.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.163 179.751 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 25.5 mtp180 -55.24 -57.19 12.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.119 179.662 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 10.8 mt -54.02 -54.86 17.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.132 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -48.69 -48.78 39.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.178 179.744 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 91.0 mm-40 -69.33 -19.93 63.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.31 179.664 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.3 t -73.77 -57.06 4.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 109.933 179.679 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -62.01 -39.13 91.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.726 179.249 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.1 -45.19 93.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.394 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 53.6 mm-40 -75.84 -25.05 55.88 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.526 179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.4 tp . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.529 179.962 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.479 ' O ' ' N ' ' A' ' 35' ' ' GLU . 2.8 t . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.78 0.324 . . . . 0.0 110.927 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -44.67 -18.98 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.212 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 33' ' ' SER . 20.2 tt0 -69.59 -51.62 33.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.299 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.3 -50.57 69.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.551 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 63.5 mm-40 -59.42 -50.99 71.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.599 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.99 -52.26 66.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.624 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -57.88 -69.17 0.18 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.638 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 14.2 mt -42.65 -41.41 3.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.593 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.26 -42.51 99.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.691 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.4 mt -63.47 -37.94 89.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.576 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 14.9 mtp-105 -77.12 -48.4 17.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.594 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 17.8 ttm180 -59.75 -13.52 10.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.568 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 20.7 t -71.76 125.05 26.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.524 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.611 HD22 ' N ' ' A' ' 46' ' ' LEU . 3.5 mm? -71.7 -27.54 63.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.443 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -77.93 12.75 1.63 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.545 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 28.5 t . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.57 179.956 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.529 0.142 0 N-CA-C 110.267 -0.272 . . . . 0.0 110.267 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -64.92 -34.96 46.3 Favored 'Trans proline' 0 C--N 1.31 -1.489 0 C-N-CA 122.438 2.092 . . . . 0.0 111.78 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -63.14 -37.53 87.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.218 179.731 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 24.2 mm100 -66.25 -50.15 64.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.317 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 55.3 mtm -56.88 -43.58 81.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.376 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.7 -52.43 65.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.512 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 33.6 tptt -52.5 -48.86 65.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.499 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 57.7 mm-40 -58.3 -51.19 70.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.529 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 13.2 mmt -59.18 -60.92 3.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.56 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 21.7 p -46.23 -43.28 15.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.515 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 10.0 tm-20 -72.02 -27.04 62.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.545 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -79.31 -37.6 37.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.507 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 21.1 mt . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.451 179.94 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.443 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 53.0 tp60 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.731 0.3 . . . . 0.0 110.501 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 24.7 mm100 -42.93 -60.53 1.58 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.575 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.498 ' NE2' ' OE1' ' A' ' 12' ' ' GLU . 48.2 tp60 -47.05 -38.07 10.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.679 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.443 ' HB3' ' O ' ' A' ' 6' ' ' GLN . . . -66.12 -65.21 0.71 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.925 -179.705 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 5.0 p -60.3 -29.64 44.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.64 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' A' ' 11' ' ' LEU . 41.1 mt -65.69 -67.51 0.44 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.605 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.498 ' OE1' ' NE2' ' A' ' 8' ' ' GLN . 15.3 pt-20 -57.8 -33.53 68.68 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.664 -179.746 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 21.9 tp60 -70.83 -36.67 73.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.412 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -68.3 -57.68 5.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.512 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.497 ' CG ' ' N ' ' A' ' 16' ' ' ARG . 12.0 ptm180 -58.14 -45.36 87.5 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.324 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.497 ' N ' ' CG ' ' A' ' 15' ' ' ARG . 38.1 ttm180 -62.28 -52.05 65.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.307 179.654 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -48.14 -51.41 24.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.389 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 39.2 mtp180 -59.91 -52.81 63.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.53 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 81.1 mt-10 -45.54 -66.22 0.43 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.519 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.515 ' N ' HD12 ' A' ' 20' ' ' LEU . 8.7 mp -54.68 -62.96 1.32 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.307 179.804 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -40.08 -39.13 0.83 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.579 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.5 tp -67.23 -48.62 67.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.1 179.719 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 59.7 mtp180 -56.48 -57.03 14.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.142 179.599 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.455 ' O ' ' N ' ' A' ' 27' ' ' SER . 13.8 mt -50.48 -55.7 5.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.004 179.659 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -45.76 -46.99 15.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.249 179.65 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -69.77 -22.93 63.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.315 179.692 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 24' ' ' ILE . 5.4 t -73.22 -51.36 18.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.0 179.769 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -65.35 -38.33 89.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.844 179.428 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.7 -44.35 90.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.465 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -75.76 -24.88 56.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.37 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.4 tp . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.776 179.793 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.4 p . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.856 0.36 . . . . 0.0 110.618 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -55.17 -21.83 15.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.416 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.402 ' CG ' ' N ' ' A' ' 36' ' ' ALA . 22.1 pt-20 -62.82 -40.74 98.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.507 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.402 ' N ' ' CG ' ' A' ' 35' ' ' GLU . . . -64.18 -52.08 60.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.545 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 95.7 mm-40 -54.75 -47.67 73.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.473 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.54 -58.3 8.9 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.535 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -46.99 -62.29 1.48 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.551 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.9 mt -47.71 -49.16 28.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.518 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -51.71 -52.6 47.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.607 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 22.7 mt -64.79 -23.74 67.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.534 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 9.7 tpt180 -75.35 -50.11 16.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.586 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -76.9 11.45 1.75 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.601 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 89.8 p -66.88 95.95 0.39 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.593 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.444 ' C ' ' H ' ' A' ' 48' ' ' SER . 4.8 tp -80.3 -22.72 41.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.44 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -76.97 19.68 0.29 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.546 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.444 ' H ' ' C ' ' A' ' 46' ' ' LEU . 26.0 t . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.835 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.4 p . . . . . 0 CA--C 1.529 0.17 0 N-CA-C 110.233 -0.284 . . . . 0.0 110.233 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 82.3 Cg_exo -38.49 -35.5 0.47 Allowed 'Trans proline' 0 C--N 1.31 -1.477 0 C-N-CA 122.537 2.158 . . . . 0.0 112.237 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -68.25 -47.77 66.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.63 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -55.07 -62.04 1.92 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.693 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.593 ' SD ' ' N ' ' A' ' 67' ' ' ALA . 3.0 ppp? -57.99 -41.56 83.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.664 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.593 ' N ' ' SD ' ' A' ' 66' ' ' MET . . . -59.65 -60.33 4.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.886 0.374 . . . . 0.0 110.452 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 12.9 tptp -51.94 -42.11 62.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.408 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -61.51 -58.27 8.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.405 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 24.6 mtt -49.41 -47.7 47.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.505 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.3 t -62.51 -35.84 80.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.54 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -77.28 -30.95 54.52 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.671 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -79.79 -52.04 8.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.564 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 20.7 mt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.522 -179.893 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.502 ' N ' ' CD ' ' A' ' 6' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.747 0.308 . . . . 0.0 110.496 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.493 ' N ' ' OE1' ' A' ' 6' ' ' GLN . 10.5 mm-40 -42.95 -60.33 1.66 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.374 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 29.9 tp60 -46.67 -36.12 6.73 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.61 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.465 ' HB3' ' O ' ' A' ' 6' ' ' GLN . . . -69.43 -67.02 0.51 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.878 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.1 p -57.07 -28.99 30.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.698 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 11' ' ' LEU . 55.6 mt -69.68 -67.16 0.5 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.601 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -57.71 -33.21 68.17 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.582 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 52.3 tp60 -66.51 -46.97 74.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.405 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -63.51 -60.05 3.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.398 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.8 mmp_? -48.82 -50.83 32.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.379 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 69.9 ttt-85 -58.14 -53.35 59.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.424 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -44.75 -52.29 8.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.599 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 20.5 mmt180 -59.98 -53.07 62.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.562 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -45.4 -65.47 0.53 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.548 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.493 ' N ' HD12 ' A' ' 20' ' ' LEU . 9.0 mp -51.86 -63.06 1.26 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.42 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -41.77 -41.27 2.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.699 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.4 tp -67.75 -41.01 84.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.53 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.406 ' N ' ' O ' ' A' ' 20' ' ' LEU . 68.6 mtp180 -62.48 -46.04 90.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.48 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 31.3 mt -64.81 -41.94 93.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.435 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.9 -46.34 75.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.539 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 77.2 mm-40 -69.98 -35.02 74.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.354 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 58.8 m -71.49 -57.43 4.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.586 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -58.9 -37.44 76.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.236 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.32 -38.79 78.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.214 179.596 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -79.05 -25.08 43.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.419 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.413 ' O ' ' OD1' ' A' ' 34' ' ' ASP . 3.9 tp 59.09 26.43 15.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.663 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.8 mm -93.19 -27.91 4.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.427 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 18.7 m -78.14 55.21 1.46 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.446 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.413 ' OD1' ' O ' ' A' ' 31' ' ' LEU . 1.5 m-20 -71.82 -18.97 62.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.62 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.477 ' CD ' ' N ' ' A' ' 36' ' ' ALA . 2.2 pp20? -61.66 -38.57 88.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.569 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.477 ' N ' ' CD ' ' A' ' 35' ' ' GLU . . . -64.18 -50.57 67.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.479 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 77.9 mm-40 -56.61 -49.05 76.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.418 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.07 -48.68 75.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.441 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -58.32 -70.33 0.15 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.543 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 27.4 mt -44.82 -36.17 3.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.644 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.45 -37.41 82.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.605 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.5 mt -69.36 -43.51 73.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.575 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 40.1 mtp180 -73.78 -27.26 61.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.511 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 39.3 ttt-85 -78.31 -28.6 47.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.335 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 91.6 p -79.88 62.09 4.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.556 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.452 ' C ' ' H ' ' A' ' 48' ' ' SER . 5.7 tp -49.15 -28.56 4.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.608 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -75.82 21.56 0.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.607 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.452 ' H ' ' C ' ' A' ' 46' ' ' LEU . 14.9 t -45.92 -38.03 7.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.617 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -63.06 149.92 89.64 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.422 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -68.92 -180.0 2.89 Favored 'Trans proline' 0 C--N 1.309 -1.536 0 C-N-CA 122.526 2.15 . . . . 0.0 112.007 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.415 HG22 ' N ' ' A' ' 52' ' ' SER . 6.9 p -74.99 153.93 6.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.568 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.415 ' N ' HG22 ' A' ' 51' ' ' VAL . 41.5 t -131.06 117.53 19.27 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.515 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 61.8 mttm -78.03 129.59 35.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.645 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -156.59 0.13 0.13 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.478 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -99.81 -27.35 13.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.505 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.403 ' C ' ' H ' ' A' ' 58' ' ' ARG . . . 93.41 35.23 6.31 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.4 m -79.24 33.56 0.23 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.896 0.379 . . . . 0.0 110.576 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.531 ' O ' ' O ' ' A' ' 59' ' ' PRO . 67.7 mtp180 -81.01 151.8 70.74 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.352 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.531 ' O ' ' O ' ' A' ' 58' ' ' ARG . 78.4 Cg_exo -40.65 176.55 0.0 OUTLIER 'Trans proline' 0 C--N 1.31 -1.45 0 C-N-CA 122.801 2.334 . . . . 0.0 112.4 179.761 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 28.5 ttmt 72.79 109.04 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.438 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.591 ' SD ' ' N ' ' A' ' 61' ' ' MET . 0.0 OUTLIER -87.16 114.44 23.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.607 -179.932 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.469 ' O ' ' N ' ' A' ' 65' ' ' GLN . 1.6 p -77.89 148.82 76.26 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.271 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_exo -37.77 -39.34 0.79 Allowed 'Trans proline' 0 C--N 1.31 -1.483 0 C-N-CA 122.551 2.167 . . . . 0.0 112.084 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -64.5 -39.78 94.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.557 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.469 ' N ' ' O ' ' A' ' 62' ' ' THR . 26.5 mt-30 -64.94 -64.98 0.73 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.56 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 10.1 ptm -53.07 -35.06 59.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.558 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.8 -40.41 83.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.475 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 33.3 tptt -71.3 -34.89 71.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.489 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -67.7 -58.45 4.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.554 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.486 ' CG ' ' N ' ' A' ' 71' ' ' SER . 15.5 ptm -60.42 -45.45 93.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.415 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.486 ' N ' ' CG ' ' A' ' 70' ' ' MET . 39.9 t -57.54 -45.68 84.8 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.503 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 50.0 tt0 -71.17 -33.4 69.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.55 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 39.4 t80 -67.83 -64.84 0.78 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.512 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 28.0 mt -47.61 -39.93 18.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.424 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 44.5 t -94.21 102.81 14.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.481 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 34.9 ttt85 -159.73 -74.54 0.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.529 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 170.88 177.44 40.81 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -77.37 -99.28 0.01 OUTLIER 'Trans proline' 0 C--N 1.306 -1.694 0 C-N-CA 122.874 2.383 . . . . 0.0 112.042 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.455 0 CA-C-O 117.952 -1.023 . . . . 0.0 110.531 179.937 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.482 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 59.4 tt0 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.807 0.336 . . . . 0.0 110.48 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -48.35 -60.14 2.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.43 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -49.23 -34.4 14.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.554 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.482 ' HB3' ' O ' ' A' ' 6' ' ' GLN . . . -65.84 -65.96 0.61 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.65 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.478 HG13 ' N ' ' A' ' 11' ' ' LEU . 5.1 p -60.09 -45.55 95.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.636 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.478 ' N ' HG13 ' A' ' 10' ' ' VAL . 75.3 mt -53.18 -57.94 8.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.336 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 54.4 mm-40 -60.58 -37.16 80.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.535 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 46.6 tp60 -62.06 -41.05 97.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.503 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -68.42 -55.92 10.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.567 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 25.1 mmt180 -49.82 -50.84 43.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.568 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 30.3 ttm180 -64.47 -62.33 1.66 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.716 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -40.26 -46.91 2.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.798 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.1 mmp_? -63.88 -55.36 23.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.677 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.0 mm-40 -45.52 -59.84 2.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.532 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.512 ' N ' HD12 ' A' ' 20' ' ' LEU . 9.5 mp -56.65 -66.02 0.51 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.427 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -40.8 -35.3 0.48 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.633 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.2 tp -68.39 -52.0 37.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.255 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 48.1 mtp85 -56.98 -58.5 7.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.134 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.405 HG21 HD13 ' A' ' 24' ' ' ILE . 12.3 mt -49.5 -56.09 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.924 179.72 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -47.12 -44.38 21.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.279 179.671 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -68.87 -24.95 64.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.399 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 31' ' ' LEU . 9.1 t -74.23 -55.94 5.47 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.087 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -60.26 -38.04 82.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.005 179.408 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.14 -48.89 71.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.515 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -75.91 -25.7 56.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.574 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' A' ' 27' ' ' SER . 4.9 tp 49.05 27.28 1.64 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.632 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.2 mm -91.22 -63.91 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.37 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 33.3 p -72.23 51.47 0.24 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.768 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.415 ' OD2' ' O ' ' A' ' 31' ' ' LEU . 44.8 m-20 -62.88 -26.34 68.73 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.309 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.449 ' CG ' ' N ' ' A' ' 36' ' ' ALA . 11.4 pt-20 -60.91 -45.62 93.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.347 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.449 ' N ' ' CG ' ' A' ' 35' ' ' GLU . . . -58.44 -59.35 5.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.222 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 -46.27 -54.7 8.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.248 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.38 -47.58 85.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.439 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.401 ' O ' ' N ' ' A' ' 43' ' ' ARG . 17.4 m-20 -54.67 -69.02 0.14 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.614 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.4 ' N ' HD12 ' A' ' 40' ' ' LEU . 10.8 mp -43.84 -50.46 7.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.389 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.38 -41.86 81.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.458 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 13.1 mt -77.91 -15.07 59.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.29 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.401 ' N ' ' O ' ' A' ' 39' ' ' ASP . 46.9 ttt85 -82.06 -50.37 9.16 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.535 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.545 ' O ' ' N ' ' A' ' 46' ' ' LEU . 7.4 ptt180 -64.84 -2.18 2.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.478 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.6 t -49.3 86.43 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.624 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.545 ' N ' ' O ' ' A' ' 44' ' ' ARG . 6.2 tp -78.74 -22.28 46.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.368 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 52.9 t0 -59.42 -1.73 0.25 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.609 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.491 ' H ' ' C ' ' A' ' 46' ' ' LEU . 11.4 t -43.4 -72.81 0.05 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.642 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.482 ' O ' ' O ' ' A' ' 50' ' ' PRO . 8.8 m-85 -75.69 149.11 83.19 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.272 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.482 ' O ' ' O ' ' A' ' 49' ' ' TYR . 88.2 Cg_exo -41.16 173.95 0.0 OUTLIER 'Trans proline' 0 C--N 1.313 -1.323 0 C-N-CA 122.607 2.205 . . . . 0.0 112.496 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 12.6 m -115.29 140.43 36.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.503 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 53.4 p -81.66 116.29 21.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.644 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 22.3 mmtm -74.18 170.0 16.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.56 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 54.13 74.61 0.32 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.608 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.401 ' C ' ' H ' ' A' ' 57' ' ' THR . 9.5 t70 -158.11 71.16 0.58 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.556 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 73.61 -10.64 6.51 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.401 ' H ' ' C ' ' A' ' 55' ' ' ASP . 12.3 p -94.13 69.93 3.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.874 0.369 . . . . 0.0 110.542 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 51.6 mtm180 -88.97 150.32 45.15 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.344 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -67.75 179.14 2.83 Favored 'Trans proline' 0 C--N 1.309 -1.506 0 C-N-CA 122.547 2.165 . . . . 0.0 111.949 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.401 ' C ' ' CD ' ' A' ' 60' ' ' LYS . 5.0 tmtt? 72.38 109.95 0.07 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.292 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 11.9 tpp -91.95 135.25 34.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.512 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 7.2 p -110.31 150.79 42.06 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.456 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_exo -38.99 -48.42 2.85 Favored 'Trans proline' 0 C--N 1.312 -1.381 0 C-N-CA 122.474 2.116 . . . . 0.0 112.131 179.673 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -55.66 -54.44 44.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.377 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -51.36 -54.03 30.44 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.349 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.496 ' O ' ' SD ' ' A' ' 70' ' ' MET . 67.6 mtp -52.26 -61.29 2.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.436 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -48.51 -56.81 7.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.53 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 12.8 tptm -55.55 -63.66 1.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.486 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -46.06 -57.32 4.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.581 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.591 ' N ' ' SD ' ' A' ' 70' ' ' MET . 0.0 OUTLIER -48.87 -47.41 42.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.418 179.9 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 16.5 t -59.16 -41.65 88.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.542 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 32.6 tp10 -67.59 -40.94 84.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.53 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -62.58 -57.18 12.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.483 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 41.0 mt -66.95 -23.93 66.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.503 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.429 ' OG ' ' N ' ' A' ' 76' ' ' ARG . 33.8 t 49.36 -151.71 0.15 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.655 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.429 ' N ' ' OG ' ' A' ' 75' ' ' SER . 15.4 ttm180 -77.95 -63.4 1.4 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.545 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -159.37 -172.66 26.79 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -46.82 137.9 15.71 Favored 'Trans proline' 0 C--N 1.306 -1.679 0 C-N-CA 122.799 2.332 . . . . 0.0 112.146 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 117.98 -1.01 . . . . 0.0 110.534 179.971 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.42 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 42.1 tt0 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.938 0.399 . . . . 0.0 110.377 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -45.01 -60.37 2.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.729 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -48.3 -37.17 15.72 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.836 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' A' ' 6' ' ' GLN . . . -66.45 -67.06 0.48 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.91 -179.661 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.478 HG13 ' N ' ' A' ' 11' ' ' LEU . 6.2 p -56.59 -43.79 79.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.563 -179.725 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.478 ' N ' HG13 ' A' ' 10' ' ' VAL . 84.4 mt -57.05 -67.56 0.31 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.386 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 58.8 mt-10 -46.2 -47.48 17.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.428 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.23 -53.13 61.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.333 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 -55.05 -56.74 16.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.54 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 30.3 mtp180 -46.26 -51.14 15.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.382 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 65.0 ttt180 -55.19 -61.19 2.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.229 179.712 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -46.97 -47.03 21.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.308 179.729 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 53.0 mtp180 -61.2 -53.67 54.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.455 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 50.6 mm-40 -45.36 -56.89 4.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.49 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 11.0 mp -55.28 -62.94 1.34 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.318 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -49.96 -34.78 21.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.667 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.5 tp -69.91 -40.09 75.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.653 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 26.1 mtp180 -66.92 -46.18 75.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.504 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.441 ' O ' ' CG ' ' A' ' 28' ' ' GLU . 28.6 mt -71.03 -29.76 38.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.539 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.11 -51.56 13.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.743 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -68.12 -32.73 73.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.437 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 45.7 t -73.98 -54.29 8.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.729 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.441 ' CG ' ' O ' ' A' ' 24' ' ' ILE . 1.3 pp20? -64.63 -28.45 69.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.562 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -77.18 -43.43 33.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.674 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -83.35 -25.36 31.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.535 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.0 tp 46.46 50.08 12.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.82 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 85.4 mt -104.21 -38.14 4.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.431 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.1 m -75.7 47.68 0.42 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.482 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -45.08 -25.04 0.29 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.425 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -58.85 -50.09 75.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.457 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.21 -60.68 3.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.538 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 6.2 mm100 -47.32 -43.46 22.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.606 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.47 -44.86 89.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.687 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -57.73 -62.85 1.5 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.622 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.537 ' N ' HD12 ' A' ' 40' ' ' LEU . 8.8 mp -54.36 -41.33 69.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.597 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.33 -58.72 7.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.61 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 15.1 mt -61.77 -37.23 83.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.511 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 44.8 ttt85 -71.01 -31.76 68.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.504 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.415 ' HB2' HH11 ' A' ' 44' ' ' ARG . 14.5 ttp-105 -77.79 -38.08 47.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.357 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 46.6 m -88.87 98.64 11.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.662 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.586 HD22 ' N ' ' A' ' 46' ' ' LEU . 3.6 mm? -71.82 -34.69 69.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.285 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -79.61 21.55 0.51 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.569 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 46.1 t -45.97 -48.41 16.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.68 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 2.8 p90 -76.39 151.42 83.21 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.358 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -69.88 -179.94 3.33 Favored 'Trans proline' 0 N--CA 1.494 1.527 0 C-N-CA 122.535 2.157 . . . . 0.0 111.939 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 5.9 m -118.3 129.62 74.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.513 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.9 t -115.27 129.09 56.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.454 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.415 ' O ' ' N ' ' A' ' 55' ' ' ASP . 8.4 mmtp -85.26 110.02 18.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.536 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.478 ' C ' ' N ' ' A' ' 56' ' ' GLY . 2.6 t30 36.08 34.36 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.097 179.807 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.49 ' C ' ' H ' ' A' ' 57' ' ' THR . 1.4 m-20 48.47 11.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.676 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.478 ' N ' ' C ' ' A' ' 54' ' ' ASN . . . 71.2 -17.37 1.02 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.079 -0.809 . . . . 0.0 111.079 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.49 ' H ' ' C ' ' A' ' 55' ' ' ASP . 11.7 p -90.21 77.15 6.76 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.82 0.343 . . . . 0.0 110.608 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 28.9 mtp180 -88.98 146.21 36.1 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.262 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -71.19 170.28 18.61 Favored 'Trans proline' 0 C--N 1.309 -1.506 0 C-N-CA 122.582 2.188 . . . . 0.0 111.818 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 56.6 tttp -178.71 146.99 0.36 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.626 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 3.2 ptt? -129.8 132.14 46.42 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.294 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.6 p -80.22 151.0 72.14 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.406 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.413 ' O ' ' CB ' ' A' ' 67' ' ' ALA . 82.5 Cg_exo -38.17 -46.85 2.27 Favored 'Trans proline' 0 C--N 1.311 -1.408 0 C-N-CA 122.671 2.247 . . . . 0.0 112.324 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 61.4 tt0 -54.07 -48.64 70.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.722 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.482 ' OE1' ' N ' ' A' ' 65' ' ' GLN . 5.4 mp0 -59.68 -65.96 0.59 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.53 -179.811 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 12.2 ptm -53.79 -39.26 65.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.636 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.413 ' CB ' ' O ' ' A' ' 63' ' ' PRO . . . -65.52 -59.72 3.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.473 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.8 mmmm -55.98 -55.24 35.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.582 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -49.56 -57.83 6.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.554 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 12.3 mmt -54.8 -58.17 8.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.586 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.5 t -48.2 -54.42 13.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.525 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -60.14 -45.67 92.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.736 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -60.67 -62.75 1.63 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.617 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 29.5 mt -56.46 -41.66 76.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.665 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.4 t -98.35 98.6 9.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.585 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 12.9 mtm180 -70.76 -45.73 64.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.559 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 163.36 171.7 29.93 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -72.67 140.3 32.31 Favored 'Trans proline' 0 C--N 1.306 -1.676 0 C-N-CA 122.805 2.337 . . . . 0.0 112.012 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.395 0 CA-C-O 117.916 -1.04 . . . . 0.0 110.587 -179.99 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.461 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 64.1 tt0 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.83 0.348 . . . . 0.0 110.618 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -43.45 -60.5 1.7 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.425 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -46.68 -36.27 6.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.686 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' A' ' 6' ' ' GLN . . . -68.34 -65.9 0.64 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.741 -179.767 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.0 p -59.14 -30.18 43.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.662 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 42.9 mt -65.67 -60.03 3.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.366 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -58.98 -38.52 79.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.486 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 61.2 tp60 -62.62 -42.86 99.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.524 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 46.3 mm-40 -66.27 -49.52 66.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.532 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 67.0 mtp180 -53.63 -49.79 67.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.52 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 88.5 mtt180 -62.15 -61.14 2.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.606 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -40.88 -51.0 3.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.714 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 80.9 mtt180 -63.65 -51.15 66.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.532 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.5 mm-40 -55.76 -62.71 1.51 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.487 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.486 ' O ' ' N ' ' A' ' 23' ' ' ARG . 10.7 mp -51.1 -64.37 0.83 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.426 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -41.49 -42.52 2.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.548 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.1 tp -68.17 -35.93 78.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.392 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.486 ' N ' ' O ' ' A' ' 20' ' ' LEU . 37.3 mtp180 -72.77 -41.85 64.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.523 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.43 ' O ' ' CG ' ' A' ' 28' ' ' GLU . 54.8 mt -70.7 -30.3 41.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.676 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.87 -52.9 9.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.687 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -65.2 -33.26 75.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.454 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 31' ' ' LEU . 46.2 t -74.05 -58.71 3.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.617 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.43 ' CG ' ' O ' ' A' ' 24' ' ' ILE . 1.2 pp20? -59.71 -27.48 66.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.607 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -78.49 -44.04 25.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.604 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -80.84 -21.11 41.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.652 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.422 ' N ' ' O ' ' A' ' 27' ' ' SER . 4.9 mt 49.18 26.2 1.41 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.58 179.778 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.0 mm -79.94 -44.5 22.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.925 0.393 . . . . 0.0 110.405 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.403 ' OG ' ' OG ' ' A' ' 27' ' ' SER . 89.5 p -71.62 70.9 0.69 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.499 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -73.84 -28.24 61.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.594 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.4 ' CG ' ' N ' ' A' ' 36' ' ' ALA . 22.9 pt-20 -59.51 -41.37 89.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.545 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.4 ' N ' ' CG ' ' A' ' 35' ' ' GLU . . . -61.21 -54.31 45.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.507 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 17.6 mm-40 -54.11 -43.76 70.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.529 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.6 -44.4 97.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.57 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.486 ' O ' ' N ' ' A' ' 43' ' ' ARG . 4.1 m-20 -64.73 -50.7 65.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.618 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 22.5 mt -59.5 -31.91 69.79 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.312 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -73.0 -40.06 65.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.01 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.2 pp -89.04 -19.7 25.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.781 0.324 . . . . 0.0 110.627 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.486 ' N ' ' O ' ' A' ' 39' ' ' ASP . 44.0 ttm180 -81.6 -42.45 20.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.644 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 4.8 ppt_? -59.74 -13.09 8.67 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.592 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 13.6 t -81.28 121.6 26.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.559 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.484 ' C ' ' H ' ' A' ' 48' ' ' SER . 5.6 tp -82.42 -39.17 22.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.616 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.526 ' OD1' ' N ' ' A' ' 47' ' ' ASP . 18.5 p-10 -72.0 14.25 0.23 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.672 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.484 ' H ' ' C ' ' A' ' 46' ' ' LEU . 35.1 t -86.63 -38.63 16.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.665 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -66.48 151.58 95.98 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.441 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -43.87 119.53 1.98 Allowed 'Trans proline' 0 C--N 1.31 -1.468 0 C-N-CA 122.355 2.036 . . . . 0.0 111.862 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.1 p -76.9 139.77 18.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.39 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.4 p -131.02 132.05 44.72 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.542 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 41.0 mttp -80.84 148.33 30.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.53 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.516 ' C ' ' H ' ' A' ' 56' ' ' GLY . 5.6 t-20 -170.43 38.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.469 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.519 ' C ' ' H ' ' A' ' 57' ' ' THR . 0.7 OUTLIER 50.75 8.7 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.696 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.516 ' H ' ' C ' ' A' ' 54' ' ' ASN . . . 64.13 -5.85 0.86 Allowed Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.104 -0.798 . . . . 0.0 111.104 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.519 ' H ' ' C ' ' A' ' 55' ' ' ASP . 3.3 p 40.82 52.98 3.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.919 0.39 . . . . 0.0 110.727 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 35.7 mtp180 -84.13 146.79 49.15 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.386 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -68.59 179.71 2.92 Favored 'Trans proline' 0 N--CA 1.494 1.544 0 C-N-CA 122.459 2.106 . . . . 0.0 111.971 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 18.2 pttm -155.16 171.1 20.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.581 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.585 ' SD ' ' N ' ' A' ' 61' ' ' MET . 3.9 mpp? -80.97 112.13 18.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.579 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.422 ' H ' HG23 ' A' ' 62' ' ' THR . 2.0 p -79.42 148.36 70.11 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.328 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_exo -38.42 -40.51 1.29 Allowed 'Trans proline' 0 C--N 1.311 -1.434 0 C-N-CA 122.516 2.144 . . . . 0.0 112.23 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -62.94 -44.72 95.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.598 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -58.35 -67.12 0.38 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.546 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 15.0 ptm -51.55 -39.06 57.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.576 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.57 -57.68 11.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.532 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 48.1 tttp -58.03 -48.09 81.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.572 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -50.67 -50.81 53.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.514 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 12.7 mmt -60.01 -62.34 1.94 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.45 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.6 m -47.31 -30.05 2.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.534 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 67.6 tt0 -77.68 -41.86 36.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.611 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -72.0 -53.22 13.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.525 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.421 ' O ' ' O ' ' A' ' 75' ' ' SER . 35.4 mt -62.55 -8.41 6.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.531 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.421 ' O ' ' O ' ' A' ' 74' ' ' LEU . 51.9 p -50.2 -177.06 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.568 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -137.79 103.22 4.94 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.545 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 156.43 -68.16 0.29 Allowed Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.423 ' O ' ' OXT' ' A' ' 79' ' ' ALA . 59.3 Cg_endo -74.11 177.94 7.57 Favored 'Trans proline' 0 C--N 1.306 -1.678 0 C-N-CA 122.767 2.311 . . . . 0.0 112.085 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.423 ' OXT' ' O ' ' A' ' 78' ' ' PRO . . . . . . . . 0 C--O 1.219 -0.522 0 CA-C-O 118.03 -0.986 . . . . 0.0 110.584 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.457 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 10.4 tt0 . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.777 0.322 . . . . 0.0 110.393 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -42.89 -60.3 1.65 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.466 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 11.3 mm100 -46.54 -36.81 7.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.595 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.457 ' HB3' ' O ' ' A' ' 6' ' ' GLN . . . -68.44 -65.28 0.72 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.944 -179.78 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.9 p -59.28 -28.94 40.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.593 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 11' ' ' LEU . 52.0 mt -69.28 -69.19 0.35 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.512 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -55.33 -31.11 61.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.488 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 15.8 tp60 -67.29 -47.64 70.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.387 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -63.82 -45.95 87.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.409 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 50.6 mtp180 -57.74 -51.76 68.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.392 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 86.3 mtt-85 -63.21 -59.51 4.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.448 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -41.07 -52.9 3.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.689 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 73.7 mtp180 -59.32 -51.38 70.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.559 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -57.46 -64.53 0.86 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.554 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.497 ' N ' HD12 ' A' ' 20' ' ' LEU . 8.9 mp -51.95 -61.03 2.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.501 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -44.42 -39.86 5.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.56 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.6 tt -70.98 -35.5 72.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.525 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 19.9 mtp180 -68.55 -43.98 75.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.493 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 39.4 mt -70.1 -38.21 74.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.508 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.95 -48.64 75.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.536 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 72.4 mm-40 -68.15 -36.69 80.08 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.386 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.408 ' O ' ' N ' ' A' ' 31' ' ' LEU . 70.6 m -70.66 -58.08 4.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.761 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -58.37 -35.47 72.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.309 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.88 -37.08 70.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.278 179.753 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -81.55 -25.16 36.08 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.576 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.408 ' N ' ' O ' ' A' ' 27' ' ' SER . 3.2 mt 53.97 24.03 4.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.412 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.0 mm -88.4 -41.64 14.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.317 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 52.5 m -78.23 55.9 1.6 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.578 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -68.14 -23.87 64.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.481 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -58.07 -42.09 84.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.532 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.56 -47.19 82.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.42 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 90.1 mm-40 -55.53 -51.54 66.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.532 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.74 -41.47 91.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.616 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -60.86 -66.71 0.49 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.662 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 32.1 mt -47.81 -40.33 20.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.512 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.45 -47.85 84.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.609 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 17.5 mt -67.17 -34.43 77.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.548 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 54.1 ttt180 -76.36 -34.98 58.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.569 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 20.1 ttp85 -80.82 -16.5 53.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.307 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.0 t -64.53 150.53 46.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.599 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.584 HD22 ' N ' ' A' ' 46' ' ' LEU . 3.6 mm? -68.19 -14.17 62.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.386 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -70.34 -26.86 63.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.632 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 90.2 p -86.75 79.51 8.82 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.562 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 39.3 p90 -62.49 148.65 89.96 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.332 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_exo -42.42 119.4 1.35 Allowed 'Trans proline' 0 C--N 1.311 -1.398 0 C-N-CA 122.357 2.038 . . . . 0.0 111.936 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.8 p -106.47 154.04 7.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.433 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.6 t -82.54 107.89 15.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.516 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 16.6 pttm -104.44 133.83 48.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.573 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -80.74 96.91 7.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.486 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 44.73 31.35 0.64 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.587 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 102.54 20.41 12.01 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.0 m 42.14 42.36 2.42 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.82 0.343 . . . . 0.0 110.669 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 59.0 mtp85 -92.67 147.82 34.93 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.439 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -68.02 -178.84 1.85 Allowed 'Trans proline' 0 N--CA 1.493 1.494 0 C-N-CA 122.496 2.131 . . . . 0.0 111.934 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 29.8 ttmt -146.81 127.78 14.53 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.59 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.507 ' SD ' ' N ' ' A' ' 61' ' ' MET . 0.0 OUTLIER -100.39 143.53 30.47 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.473 179.916 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 25.6 p -85.51 148.6 49.71 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.482 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.461 ' O ' ' HB2' ' A' ' 67' ' ' ALA . 81.5 Cg_exo -39.1 -40.11 1.6 Allowed 'Trans proline' 0 C--N 1.31 -1.478 0 C-N-CA 122.566 2.177 . . . . 0.0 112.273 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 65.5 tt0 -63.9 -42.39 97.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.693 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -60.88 -67.8 0.37 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.611 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.581 ' SD ' ' N ' ' A' ' 67' ' ' ALA . 0.0 OUTLIER -53.05 -35.7 59.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.708 -179.812 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.581 ' N ' ' SD ' ' A' ' 66' ' ' MET . . . -59.93 -57.89 10.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.547 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 54.8 tttm -59.69 -51.42 69.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.568 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -47.96 -49.48 30.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.578 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 28.5 mmt -60.39 -57.63 11.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.524 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 39.0 m -53.98 -26.73 27.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.569 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 49.3 mm-40 -83.55 -37.21 23.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.519 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -75.98 -53.26 8.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.572 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 23.4 mt -53.25 -33.68 54.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.495 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 59.9 p -75.63 82.42 2.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.612 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 86.4 mtt-85 -77.42 -40.45 43.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.622 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 69.18 69.36 1.4 Allowed Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.929 -0.869 . . . . 0.0 110.929 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.416 ' O ' ' OXT' ' A' ' 79' ' ' ALA . 78.1 Cg_exo -46.82 110.21 0.27 Allowed 'Trans proline' 0 C--N 1.306 -1.666 0 C-N-CA 122.793 2.328 . . . . 0.0 112.074 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.416 ' OXT' ' O ' ' A' ' 78' ' ' PRO . . . . . . . . 0 C--O 1.221 -0.444 0 CA-C-O 118.001 -0.999 . . . . 0.0 110.526 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.465 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 22.0 pt20 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.796 0.331 . . . . 0.0 110.551 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -50.49 -60.03 3.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.526 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -48.99 -34.39 12.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.658 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.465 ' HB3' ' O ' ' A' ' 6' ' ' GLN . . . -66.31 -66.69 0.52 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.783 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.497 HG13 ' N ' ' A' ' 11' ' ' LEU . 6.9 p -59.54 -44.36 92.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.645 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.497 ' N ' HG13 ' A' ' 10' ' ' VAL . 77.0 mt -54.87 -59.77 4.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.428 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -55.57 -46.09 77.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.508 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 38.7 tp60 -56.56 -43.81 80.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.494 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -65.13 -53.14 49.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.466 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 26.8 mmm-85 -50.8 -50.77 55.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.456 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 53.9 ttm-85 -61.69 -61.12 2.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.567 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -43.93 -45.51 7.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.477 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 17.1 mtp-105 -62.19 -53.01 61.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.505 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -49.43 -63.74 1.01 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.498 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.512 ' N ' HD12 ' A' ' 20' ' ' LEU . 9.1 mp -51.53 -64.03 0.94 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.379 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -42.06 -39.43 1.95 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.692 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.1 tp -66.78 -41.36 87.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.359 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.421 ' N ' ' O ' ' A' ' 20' ' ' LEU . 43.5 mtp85 -64.85 -44.02 91.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.365 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 45.7 mt -65.36 -38.06 81.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.458 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.74 -51.59 64.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.542 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -64.75 -32.44 74.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.427 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 9.3 t -74.62 -59.65 2.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.695 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -59.16 -26.01 64.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.569 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -81.7 -40.35 22.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.586 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -78.15 -24.9 47.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.684 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.6 mt 46.02 66.77 0.87 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.355 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.404 ' C ' ' H ' ' A' ' 34' ' ' ASP . 95.5 mt -120.92 -41.97 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.312 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.0 m -74.02 44.26 0.18 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.539 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.404 ' H ' ' C ' ' A' ' 32' ' ' ILE . 17.6 t70 -45.61 -26.07 0.55 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.578 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -58.95 -36.94 75.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.563 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.9 -52.51 49.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.539 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 70.1 mm-40 -57.63 -50.56 72.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.575 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.35 -50.92 68.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.491 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -57.73 -59.0 5.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.583 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 17.4 mt -49.3 -43.36 43.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.517 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' A' ' 45' ' ' SER . . . -66.91 -53.61 30.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.561 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.7 mt -55.29 -33.06 62.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.59 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 60.1 ttt-85 -80.74 -40.29 25.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.506 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.437 ' O ' ' O ' ' A' ' 45' ' ' SER . 16.9 ttp85 -79.27 -15.66 57.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.326 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.479 ' N ' ' O ' ' A' ' 41' ' ' ALA . 60.2 m -54.05 -166.38 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.634 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.526 HD22 ' N ' ' A' ' 46' ' ' LEU . 3.8 mm? -57.24 -12.67 2.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.471 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -77.72 21.37 0.3 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.606 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.417 ' H ' ' C ' ' A' ' 46' ' ' LEU . 24.8 t -81.2 10.8 4.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.602 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -65.67 156.28 83.4 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.269 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -69.69 178.77 4.2 Favored 'Trans proline' 0 C--N 1.307 -1.607 0 C-N-CA 122.605 2.203 . . . . 0.0 111.968 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.443 ' O ' HG23 ' A' ' 51' ' ' VAL . 33.9 m -106.64 126.93 62.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.576 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 21.8 t -91.24 137.7 32.16 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.546 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -133.1 109.96 9.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.583 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.419 ' OD1' ' O ' ' A' ' 54' ' ' ASN . 18.6 p30 -174.84 74.08 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.543 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -158.45 53.91 0.44 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.532 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 76.32 29.42 58.34 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.609 HG23 ' O ' ' A' ' 57' ' ' THR . 6.9 t -125.14 107.08 10.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.88 0.371 . . . . 0.0 110.558 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 59.5 mtm180 -116.03 150.41 45.04 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.34 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -68.55 179.73 2.89 Favored 'Trans proline' 0 N--CA 1.494 1.505 0 C-N-CA 122.516 2.144 . . . . 0.0 111.992 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 33.9 tptt -171.49 113.03 0.35 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.647 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.622 ' SD ' ' N ' ' A' ' 61' ' ' MET . 0.0 OUTLIER -81.04 145.92 30.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.702 -179.944 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.424 ' O ' ' N ' ' A' ' 65' ' ' GLN . 1.4 p -102.38 149.6 36.81 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.304 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -38.55 -37.22 0.7 Allowed 'Trans proline' 0 C--N 1.311 -1.41 0 C-N-CA 122.44 2.094 . . . . 0.0 112.206 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 60.1 tt0 -66.62 -40.43 88.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.571 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.424 ' N ' ' O ' ' A' ' 62' ' ' THR . 14.5 mm100 -56.26 -58.4 8.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.574 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 37.8 mtm -61.65 -53.78 51.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.611 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -49.74 -53.99 21.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.587 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 49.7 tttm -54.04 -51.82 62.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.549 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 88.4 mt-10 -55.35 -51.07 67.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.517 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 24.7 mtt -54.66 -63.31 1.19 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.574 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 31.4 m -52.99 -44.48 67.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.617 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.413 ' O ' ' OE2' ' A' ' 72' ' ' GLU . 5.0 tm-20 -60.52 -33.0 72.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.565 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -80.88 -53.43 6.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.543 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 34.6 mt -66.6 -13.22 60.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.61 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 8.3 t -160.26 145.31 14.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.663 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 88.7 mtt180 -79.51 -59.5 2.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.617 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.418 ' C ' ' H ' ' A' ' 79' ' ' ALA . . . -75.38 170.36 54.48 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -73.09 20.27 0.34 Allowed 'Trans proline' 0 C--N 1.305 -1.728 0 C-N-CA 122.862 2.375 . . . . 0.0 112.103 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.418 ' H ' ' C ' ' A' ' 77' ' ' GLY . . . . . . . . 0 C--O 1.22 -0.45 0 CA-C-O 118.012 -0.994 . . . . 0.0 110.551 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.429 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 46.8 tt0 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.726 0.298 . . . . 0.0 110.615 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -49.2 -60.34 2.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.642 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -50.47 -34.45 24.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.658 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.429 ' HB3' ' O ' ' A' ' 6' ' ' GLN . . . -67.03 -67.11 0.48 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.794 -179.724 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.501 HG13 ' N ' ' A' ' 11' ' ' LEU . 7.2 p -58.53 -43.27 86.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.815 -179.664 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.501 ' N ' HG13 ' A' ' 10' ' ' VAL . 84.1 mt -57.26 -58.88 6.3 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.394 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 -53.7 -48.74 69.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.41 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 53.5 tp60 -51.81 -43.07 62.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.392 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -65.78 -47.56 74.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.567 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 60.0 mtt-85 -50.99 -55.89 15.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.435 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 64.5 mtp85 -61.08 -57.61 11.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.518 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -40.51 -47.37 2.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.689 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -68.04 -53.08 28.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.534 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -54.57 -58.78 6.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.627 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.463 ' N ' HD12 ' A' ' 20' ' ' LEU . 9.8 mp -56.44 -61.05 2.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.486 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -43.61 -38.51 3.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.613 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 17.7 tp -68.81 -44.02 74.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.309 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 33.9 mtp85 -59.54 -54.01 51.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.385 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 16.0 mt -58.46 -46.21 89.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.499 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.43 -58.34 7.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.893 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.37 -23.05 66.88 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.111 -179.446 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 18.8 t -67.79 -61.13 2.02 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.908 0.385 . . . . 0.0 110.056 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -60.7 -39.84 89.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.981 179.395 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.75 -38.24 87.24 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.71 -179.542 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -85.26 -19.19 31.98 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.8 mt 50.97 68.47 0.78 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.025 0.441 . . . . 0.0 110.045 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.489 ' O ' ' C ' ' A' ' 33' ' ' SER . 96.2 mt -131.1 -51.97 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.484 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.489 ' C ' ' O ' ' A' ' 32' ' ' ILE . 0.8 OUTLIER 26.5 60.15 0.08 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.466 179.725 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -45.96 -38.22 7.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.656 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -47.19 -51.43 18.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.629 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.11 -53.99 45.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.616 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 81.9 mm-40 -52.39 -43.29 64.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.589 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.47 -51.22 69.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.603 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -54.59 -59.76 4.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.581 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 32.6 mt -52.0 -41.25 62.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.554 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.95 -58.74 7.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.596 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 17.5 mt -52.18 -37.74 55.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.51 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 63.1 ttt180 -70.51 -48.13 57.1 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.575 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 31.3 ttm-85 -59.88 -16.18 27.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.733 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 11.8 t -71.46 124.97 25.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.7 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.481 ' C ' ' H ' ' A' ' 48' ' ' SER . 7.2 tp -67.36 -33.11 74.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.498 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -72.33 14.77 0.21 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.595 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.481 ' H ' ' C ' ' A' ' 46' ' ' LEU . 7.7 t -66.93 -43.41 83.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.543 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -80.49 147.24 63.23 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.397 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -69.42 177.79 5.0 Favored 'Trans proline' 0 C--N 1.309 -1.521 0 C-N-CA 122.494 2.129 . . . . 0.0 111.956 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.409 HG22 ' H ' ' A' ' 51' ' ' VAL . 9.3 m -87.26 140.98 14.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.567 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.3 t -84.8 139.46 31.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.565 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -133.14 144.84 50.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.514 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -73.29 97.89 2.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.605 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 51.0 t0 -81.18 5.85 15.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.482 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' A' ' 57' ' ' THR . . . 75.23 15.26 81.25 Favored Glycine 0 CA--C 1.521 0.43 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.413 ' O ' ' O ' ' A' ' 56' ' ' GLY . 17.2 p 39.38 93.13 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.863 0.363 . . . . 0.0 110.933 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.52 ' O ' ' O ' ' A' ' 59' ' ' PRO . 93.1 mtt180 -85.67 149.27 50.94 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.393 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.52 ' O ' ' O ' ' A' ' 58' ' ' ARG . 80.9 Cg_exo -40.33 174.58 0.0 OUTLIER 'Trans proline' 0 C--N 1.311 -1.416 0 C-N-CA 122.84 2.36 . . . . 0.0 112.35 179.684 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.4 mttp -106.03 39.38 1.8 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.261 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.602 ' SD ' ' N ' ' A' ' 61' ' ' MET . 0.0 OUTLIER -91.82 111.03 22.4 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.548 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 12.9 p -80.53 149.39 68.23 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.431 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -38.84 -44.54 2.4 Favored 'Trans proline' 0 C--N 1.31 -1.496 0 C-N-CA 122.666 2.244 . . . . 0.0 112.292 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.515 ' OE2' ' NZ ' ' A' ' 68' ' ' LYS . 3.9 tp10 -59.66 -48.72 80.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.717 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -55.39 -67.65 0.26 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.717 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.577 ' SD ' ' N ' ' A' ' 67' ' ' ALA . 3.2 ppp? -52.54 -30.22 29.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.79 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.577 ' N ' ' SD ' ' A' ' 66' ' ' MET . . . -72.96 -49.59 28.39 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.637 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.515 ' NZ ' ' OE2' ' A' ' 64' ' ' GLU . 47.4 mttp -67.29 -33.0 74.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.406 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 57.9 mm-40 -70.07 -59.01 3.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.757 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.469 ' CG ' ' N ' ' A' ' 71' ' ' SER . 9.3 ptt? -61.06 -42.49 98.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.651 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.469 ' N ' ' CG ' ' A' ' 70' ' ' MET . 70.0 m -60.74 -52.94 62.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.668 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -61.82 -31.63 71.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.674 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -76.58 -45.94 28.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.688 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.475 ' O ' ' N ' ' A' ' 76' ' ' ARG . 16.7 mt -78.09 -7.81 57.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.648 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 58.7 m -53.5 87.52 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.676 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.475 ' N ' ' O ' ' A' ' 74' ' ' LEU . 57.3 mtt-85 -80.79 -102.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.521 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -64.67 -67.33 2.08 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -72.65 152.76 53.91 Favored 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.812 2.341 . . . . 0.0 112.029 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.218 -0.562 0 CA-C-O 118.05 -0.976 . . . . 0.0 110.595 179.962 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 30.5 tp60 . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.872 0.368 . . . . 0.0 110.454 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -63.08 -60.47 3.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.472 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.422 ' O ' ' OE1' ' A' ' 12' ' ' GLU . 3.3 tp-100 -50.15 -32.09 15.23 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.671 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.18 -63.51 1.05 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.066 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.7 p -64.16 -30.54 50.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.726 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 11' ' ' LEU . 65.5 mt -67.82 -64.62 0.82 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.544 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.422 ' OE1' ' O ' ' A' ' 8' ' ' GLN . 7.8 pt-20 -56.22 -38.76 71.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.803 0.335 . . . . 0.0 110.589 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.41 ' N ' ' CG ' ' A' ' 12' ' ' GLU . 35.4 tp60 -61.48 -46.56 89.52 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.387 179.765 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 42.4 mm-40 -62.07 -52.93 61.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.286 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 37.5 mtp180 -50.84 -45.89 59.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.372 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 33.4 ttm180 -62.56 -58.67 6.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.475 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -42.37 -44.89 4.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.546 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 85.6 mtt180 -64.6 -51.72 61.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.396 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -47.26 -59.15 3.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.402 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.519 ' N ' HD12 ' A' ' 20' ' ' LEU . 8.6 mp -55.7 -62.77 1.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.225 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -40.61 -38.94 0.95 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.58 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.6 tp -67.02 -48.14 69.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.074 179.667 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 29.3 mtp180 -57.69 -57.46 12.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.012 179.582 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.498 ' O ' ' N ' ' A' ' 27' ' ' SER . 14.1 mt -49.26 -55.62 3.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.812 179.688 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -45.38 -49.94 12.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.011 179.501 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 62.1 mt-30 -66.52 -21.76 66.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.162 179.475 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.498 ' N ' ' O ' ' A' ' 24' ' ' ILE . 4.0 t -76.2 -48.81 19.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.129 179.791 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -69.26 -28.06 65.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.028 179.555 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -79.33 -38.15 35.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.791 -179.688 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -80.06 -25.15 40.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.885 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.1 mt 43.22 67.55 0.62 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.394 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.419 ' C ' ' H ' ' A' ' 34' ' ' ASP . 86.6 mt -117.1 -53.17 4.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.379 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 35' ' ' GLU . 5.4 m -76.03 39.42 0.18 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.509 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.419 ' H ' ' C ' ' A' ' 32' ' ' ILE . 9.9 t0 -45.05 -19.79 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.573 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 33' ' ' SER . 68.1 tt0 -61.22 -46.55 89.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.536 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.49 -50.11 74.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.531 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 81.0 mm-40 -54.49 -47.01 73.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.559 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.61 -57.82 11.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.356 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.414 ' OD1' ' O ' ' A' ' 35' ' ' GLU . 1.8 m-20 -48.16 -53.75 15.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.506 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.7 mt -55.56 -44.16 76.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.449 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.61 -51.3 70.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.606 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 33.7 mt -65.85 -39.04 90.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.537 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 45.0 ttm-85 -70.74 -24.92 62.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.477 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 45.0 ttt180 -80.02 -26.43 39.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.396 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 20.8 t -71.92 99.62 2.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.489 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.486 ' C ' ' H ' ' A' ' 48' ' ' SER . 5.5 tp -69.9 -24.95 63.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.509 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -74.76 24.83 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.586 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.486 ' H ' ' C ' ' A' ' 46' ' ' LEU . 8.4 t -63.07 -93.11 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.585 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.402 ' CD1' ' OG ' ' A' ' 48' ' ' SER . 0.1 OUTLIER -77.9 161.55 70.8 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.264 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -70.34 178.15 5.24 Favored 'Trans proline' 0 C--N 1.308 -1.567 0 C-N-CA 122.625 2.217 . . . . 0.0 112.014 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 70.0 t -86.41 114.35 25.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.589 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.9 m -107.11 107.99 19.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.597 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 83.5 mttt -87.0 110.03 19.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.591 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 10.6 m-20 -99.24 78.23 2.21 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.485 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -63.4 -11.22 21.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.615 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 77.13 21.98 72.27 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 16.3 p -148.75 87.59 1.57 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.812 0.339 . . . . 0.0 110.461 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 66.6 mtp180 -76.79 150.19 81.31 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.377 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_endo -69.58 -178.99 2.53 Favored 'Trans proline' 0 C--N 1.31 -1.484 0 C-N-CA 122.494 2.129 . . . . 0.0 111.972 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 39.4 pttt -135.93 126.19 26.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.595 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.561 ' SD ' ' N ' ' A' ' 61' ' ' MET . 0.0 OUTLIER -105.3 115.19 29.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.569 -179.945 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.9 p -78.59 150.55 76.33 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.283 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_exo -37.35 -40.1 0.71 Allowed 'Trans proline' 0 C--N 1.31 -1.451 0 C-N-CA 122.623 2.215 . . . . 0.0 112.35 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -66.97 -44.32 80.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.651 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -59.19 -64.4 0.95 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.733 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.598 ' SD ' ' N ' ' A' ' 67' ' ' ALA . 3.3 ppp? -54.77 -41.3 70.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.661 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.598 ' N ' ' SD ' ' A' ' 66' ' ' MET . . . -59.97 -46.2 90.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.529 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -63.85 -40.5 96.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.547 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -61.13 -54.8 39.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.541 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 67.6 mtp -56.11 -51.56 67.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.556 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 59.5 p -60.6 -37.24 80.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.591 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -73.54 -29.53 62.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.637 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 48.5 t80 -80.28 -65.57 0.99 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.696 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 38.2 mt -48.23 -38.63 18.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.496 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.5 t -103.28 -162.62 0.92 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.502 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 47.4 ttt85 -162.38 -53.06 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.525 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.407 ' H ' ' HD3' ' A' ' 78' ' ' PRO . . . 165.64 61.41 0.03 OUTLIER Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.407 ' HD3' ' H ' ' A' ' 77' ' ' GLY . 70.4 Cg_endo -76.05 57.1 5.09 Favored 'Trans proline' 0 C--N 1.306 -1.687 0 C-N-CA 122.82 2.347 . . . . 0.0 111.969 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 118.017 -0.992 . . . . 0.0 110.565 179.951 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.493 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 2.0 pm0 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.845 0.355 . . . . 0.0 110.567 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 21.2 mm100 -42.94 -60.44 1.61 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.621 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -49.79 -33.04 15.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.701 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.493 ' HB3' ' O ' ' A' ' 6' ' ' GLN . . . -69.7 -60.7 2.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.958 -179.703 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.5 p -65.99 -29.32 46.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.735 -179.726 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.409 ' HA ' HD23 ' A' ' 11' ' ' LEU . 59.8 mt -69.52 -62.38 1.4 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.699 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -59.86 -38.28 81.69 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.669 -179.692 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 72.2 tp60 -64.46 -44.49 90.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.576 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -62.42 -52.06 65.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.582 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 15.4 mmm180 -56.85 -46.52 81.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.509 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 56.9 mtt-85 -67.46 -33.65 75.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.454 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -61.62 -60.64 3.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.764 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.4 ptp180 -61.11 -45.97 92.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.702 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -50.56 -63.3 1.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.427 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 8.9 mp -55.52 -59.03 5.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.314 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -45.81 -35.7 4.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.457 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.9 tp -73.8 -42.08 61.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.396 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 29.8 mtp85 -60.52 -47.18 87.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.465 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 19.0 mt -70.87 -39.94 75.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.506 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.58 -45.88 81.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.577 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 77.8 mm-40 -68.78 -36.86 78.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.54 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 31' ' ' LEU . 70.5 m -71.14 -57.3 4.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.734 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -58.72 -36.79 74.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.343 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.19 -38.98 75.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.142 179.637 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -79.56 -25.04 41.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.324 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' A' ' 27' ' ' SER . 3.4 tp 64.98 36.46 7.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.554 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.476 ' O ' ' C ' ' A' ' 33' ' ' SER . 96.7 mt -111.97 -48.58 6.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.556 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.476 ' C ' ' O ' ' A' ' 32' ' ' ILE . 0.7 OUTLIER 28.7 54.44 0.09 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.385 179.747 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -45.65 -27.83 0.87 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.637 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -55.46 -44.76 76.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.518 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.86 -46.67 89.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.555 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 64.4 mm-40 -56.45 -62.78 1.49 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.46 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -52.01 -47.72 64.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.599 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 52.1 t0 -54.04 -64.31 0.87 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.651 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 15.1 mt -46.18 -50.23 15.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.534 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.11 -44.66 87.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.558 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 17.7 mt -61.92 -33.6 74.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.493 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 44.9 ttt85 -78.64 -33.46 47.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.537 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 11.8 ttt180 -80.25 7.45 9.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.498 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.453 ' C ' ' N ' ' A' ' 47' ' ' ASP . 88.2 p -65.17 -20.13 66.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.936 -179.719 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.407 HD22 ' N ' ' A' ' 46' ' ' LEU . 4.2 mm? -52.54 -9.67 0.12 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.311 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.453 ' N ' ' C ' ' A' ' 45' ' ' SER . 31.5 p30 -78.26 2.8 17.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.494 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 87.8 p -112.64 72.61 0.78 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.546 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.554 ' N ' ' CD1' ' A' ' 49' ' ' TYR . 0.1 OUTLIER -72.1 158.5 87.5 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.272 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_endo -70.17 177.77 5.52 Favored 'Trans proline' 0 C--N 1.308 -1.584 0 C-N-CA 122.531 2.154 . . . . 0.0 112.046 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.9 p -90.28 144.2 9.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.524 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 21.8 p -86.23 138.85 31.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.568 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.6 mtpm? -77.21 124.61 28.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.489 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -66.63 102.99 0.99 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.694 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -82.21 22.24 0.84 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.523 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 81.78 10.63 83.91 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 15.4 p -81.21 68.48 7.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.881 0.372 . . . . 0.0 110.543 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 40.6 mtp85 -98.07 147.73 33.49 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.373 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -68.64 177.58 4.67 Favored 'Trans proline' 0 C--N 1.31 -1.497 0 C-N-CA 122.452 2.101 . . . . 0.0 112.021 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.1 ttmp? 74.77 101.62 0.07 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.328 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.557 ' SD ' ' N ' ' A' ' 61' ' ' MET . 0.9 OUTLIER -100.84 119.01 38.04 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.548 -179.909 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 16.6 p -79.76 146.87 65.55 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.346 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_exo -37.81 -40.97 1.06 Allowed 'Trans proline' 0 C--N 1.31 -1.494 0 C-N-CA 122.541 2.16 . . . . 0.0 112.223 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -67.24 -45.32 77.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.743 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -60.44 -62.84 1.57 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.621 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 18.9 ptm -54.18 -43.97 71.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.504 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -56.58 -47.48 79.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.49 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.413 ' NZ ' ' CB ' ' A' ' 68' ' ' LYS . 9.7 mtpm? -66.83 -60.13 2.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.516 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.407 ' O ' ' N ' ' A' ' 73' ' ' PHE . 88.4 mt-10 -47.09 -49.74 21.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.489 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 28.8 mtt -57.52 -61.24 2.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.51 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 40.8 m -54.84 -31.52 59.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.511 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -80.32 -30.64 38.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.575 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.407 ' N ' ' O ' ' A' ' 69' ' ' GLU . 33.9 t80 -78.54 -48.81 14.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.544 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 19.2 mt -57.77 -32.9 67.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.47 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 92.0 p -46.58 148.32 1.01 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.532 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 15.8 tpp180 -165.21 127.31 2.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.625 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 53.82 70.13 1.03 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -47.26 129.16 15.46 Favored 'Trans proline' 0 C--N 1.306 -1.7 0 C-N-CA 122.775 2.317 . . . . 0.0 112.133 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.52 0 CA-C-O 118.037 -0.983 . . . . 0.0 110.612 -179.996 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.433 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 17.3 pt20 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.808 0.337 . . . . 0.0 110.698 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -50.84 -60.28 3.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.537 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -48.34 -35.52 12.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.686 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' A' ' 6' ' ' GLN . . . -66.0 -67.1 0.47 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.791 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.514 HG13 ' N ' ' A' ' 11' ' ' LEU . 6.4 p -58.7 -46.51 90.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.563 -179.766 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.514 ' N ' HG13 ' A' ' 10' ' ' VAL . 83.5 mt -52.44 -59.32 4.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.804 0.335 . . . . 0.0 110.311 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 51.8 mm-40 -54.62 -47.33 73.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.527 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 29.4 tp60 -54.38 -44.01 71.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.417 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -62.94 -42.55 99.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.185 179.69 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 18.2 mmm-85 -57.09 -43.72 82.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.213 179.64 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 23.6 mmt180 -66.54 -63.72 1.01 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.462 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -41.4 -43.64 2.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.879 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.6 mmp_? -68.11 -48.21 66.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.774 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -60.31 -49.77 76.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.885 0.374 . . . . 0.0 110.361 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.6 mt -57.59 -62.51 1.74 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.416 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -47.92 -37.28 13.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.568 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.5 tp -68.29 -38.17 81.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.52 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 39.8 mtp180 -66.42 -47.79 72.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.503 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 37.5 mt -64.59 -38.42 82.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.541 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.3 -45.73 86.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.584 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -69.72 -31.56 69.64 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.382 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 9.3 t -74.16 -54.63 7.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.576 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -64.08 -31.65 72.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.455 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -74.15 -43.34 57.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.599 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -75.96 -24.88 55.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.516 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.2 tp 49.43 42.59 22.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.836 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.449 ' O ' ' N ' ' A' ' 34' ' ' ASP . 62.1 mt -97.06 -14.53 7.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.393 179.781 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.6 m -66.69 66.83 0.06 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.536 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 32' ' ' ILE . 2.8 p30 -55.55 -37.78 68.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.595 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -44.92 -42.4 8.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.571 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.07 -45.96 89.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.556 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 62.8 mm-40 -58.42 -45.94 87.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.593 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.12 -54.26 47.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.488 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -53.31 -64.86 0.68 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.608 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 12.6 mt -44.58 -50.44 9.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.572 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.35 -41.9 80.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.344 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 15.1 mt -69.21 -21.34 63.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.373 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 34.2 ttm180 -79.86 -57.8 3.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.425 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.1 ptp85 -64.2 -18.46 64.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.662 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 25.9 t -43.81 148.61 0.36 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.72 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.523 ' C ' ' H ' ' A' ' 48' ' ' SER . 4.1 tp -70.27 -15.91 62.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.555 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 50.3 p-10 -71.07 18.89 0.06 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.711 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.523 ' H ' ' C ' ' A' ' 46' ' ' LEU . 35.4 t -124.61 8.83 8.3 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.44 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -73.21 155.87 89.7 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.211 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -69.43 177.65 5.15 Favored 'Trans proline' 0 C--N 1.308 -1.563 0 C-N-CA 122.501 2.134 . . . . 0.0 112.004 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 52.9 t -117.3 131.24 70.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.371 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.9 m -75.77 138.41 41.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.58 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 61.5 mttt -132.94 162.63 31.12 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.49 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 38.0 t-20 -60.5 100.4 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.598 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -79.54 -48.31 14.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.5 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 80.53 35.37 26.05 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.426 HG22 ' H ' ' A' ' 57' ' ' THR . 0.0 OUTLIER -69.09 92.38 0.53 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.854 0.359 . . . . 0.0 110.587 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 44.7 mtp180 -68.32 146.65 98.03 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.317 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -69.22 177.71 4.94 Favored 'Trans proline' 0 N--CA 1.494 1.528 0 C-N-CA 122.437 2.092 . . . . 0.0 111.964 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 50.0 pttt -111.26 161.0 16.47 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.579 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 12.2 tpp -109.02 151.59 26.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.434 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.2 p -87.26 134.72 35.84 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.601 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_exo -41.87 -37.34 4.09 Favored 'Trans proline' 0 N--CA 1.491 1.347 0 C-N-CA 122.349 2.032 . . . . 0.0 112.205 179.69 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 48.7 tt0 -59.1 -56.77 17.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.57 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -52.41 -62.89 1.35 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.567 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 37.7 mtm -47.49 -50.07 24.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.489 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -52.26 -55.24 22.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.517 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.4 mtpm? -62.71 -57.96 9.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.552 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -44.97 -47.79 11.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.471 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 33.3 mtt -61.41 -54.71 39.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.466 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 24.2 p -50.22 -42.62 51.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.643 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -73.67 -30.3 62.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.526 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 62.3 t80 -75.33 -60.99 2.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.608 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 34.0 mt -49.25 -21.48 0.83 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.401 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 10.7 t -78.21 -145.95 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.509 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.522 ' N ' ' CD ' ' A' ' 76' ' ' ARG . 1.3 mpt_? -78.14 -61.85 1.87 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.514 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 61.53 172.18 1.09 Allowed Glycine 0 CA--C 1.526 0.776 0 N-CA-C 110.861 -0.896 . . . . 0.0 110.861 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -74.03 105.68 2.07 Favored 'Trans proline' 0 C--N 1.306 -1.675 0 C-N-CA 122.797 2.331 . . . . 0.0 112.042 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 118.032 -0.985 . . . . 0.0 110.558 -179.998 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.457 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 12.3 pt20 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.831 0.348 . . . . 0.0 110.456 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -45.94 -59.99 2.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.543 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -49.19 -35.34 16.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.687 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.457 ' HB3' ' O ' ' A' ' 6' ' ' GLN . . . -66.77 -66.92 0.49 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.481 HG13 ' N ' ' A' ' 11' ' ' LEU . 6.1 p -57.87 -45.1 87.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.687 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.481 ' N ' HG13 ' A' ' 10' ' ' VAL . 78.9 mt -54.92 -56.36 20.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.35 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -56.21 -47.16 78.94 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.532 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 49.3 tp60 -53.66 -41.29 66.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.511 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -67.02 -51.95 48.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.441 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 10.5 mmm180 -49.66 -57.09 7.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.43 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 56.9 ttt180 -60.71 -55.44 33.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.522 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -43.92 -46.61 8.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.706 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 -64.53 -52.96 55.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.647 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -47.08 -63.3 1.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.584 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.542 ' N ' HD12 ' A' ' 20' ' ' LEU . 8.5 mp -55.76 -62.79 1.46 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.427 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -41.69 -40.81 2.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.574 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.4 tp -67.25 -41.84 84.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.353 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.415 ' N ' ' O ' ' A' ' 20' ' ' LEU . 31.8 mtp85 -62.53 -46.28 89.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.43 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 32.6 mt -64.32 -38.78 83.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.409 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.5 -53.46 54.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.612 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -62.75 -32.03 73.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.499 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 16.5 t -74.26 -58.17 3.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.691 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.517 ' O ' ' CD2' ' A' ' 31' ' ' LEU . 1.5 pp20? -62.88 -20.82 65.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.672 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -87.74 -36.34 17.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.922 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -91.75 -20.42 21.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.053 -179.619 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.517 ' CD2' ' O ' ' A' ' 28' ' ' GLU . 3.0 mm? 54.58 25.06 5.91 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.635 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 55.1 mt -82.26 -37.34 14.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.326 179.619 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 58.1 m -83.62 49.68 1.64 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.491 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -59.31 -27.11 65.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.628 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.43 ' CG ' ' N ' ' A' ' 36' ' ' ALA . 14.9 pt-20 -58.06 -42.9 86.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.493 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.43 ' N ' ' CG ' ' A' ' 35' ' ' GLU . . . -63.11 -60.6 3.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.465 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 90.1 mm-40 -48.66 -50.24 33.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.51 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -53.98 -65.49 0.56 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.437 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.428 ' O ' ' N ' ' A' ' 43' ' ' ARG . 26.6 t70 -45.73 -51.74 12.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.54 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 20.2 mt -55.78 -40.28 72.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.428 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.13 -52.94 29.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.714 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 40.3 mt -68.61 -20.76 64.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.502 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.428 ' N ' ' O ' ' A' ' 39' ' ' ASP . 63.1 ttt180 -82.44 -52.96 6.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.567 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 28.3 ptt85 -67.98 -5.15 15.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.533 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.9 p -43.5 130.65 5.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.485 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.444 HD13 ' O ' ' A' ' 46' ' ' LEU . 0.1 OUTLIER -59.41 -43.66 92.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.373 -179.759 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.683 ' O ' ' N ' ' A' ' 49' ' ' TYR . 8.9 m-20 -61.84 -30.51 70.89 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.283 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.509 ' OG ' ' CE1' ' A' ' 49' ' ' TYR . 27.9 t 40.33 -80.34 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.116 179.83 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.683 ' N ' ' O ' ' A' ' 47' ' ' ASP . 0.4 OUTLIER -105.67 149.51 38.0 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.275 -179.876 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -68.47 179.07 3.24 Favored 'Trans proline' 0 N--CA 1.494 1.505 0 C-N-CA 122.417 2.078 . . . . 0.0 111.854 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.7 p -77.71 152.57 5.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.643 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.5 p -131.17 130.44 43.03 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.468 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 51.2 mttp -73.02 170.05 15.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.564 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.503 ' C ' ' H ' ' A' ' 56' ' ' GLY . 23.4 m-20 60.62 23.66 13.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.566 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.5 t70 68.61 -10.19 0.49 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.589 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.503 ' H ' ' C ' ' A' ' 54' ' ' ASN . . . 83.47 19.61 61.81 Favored Glycine 0 CA--C 1.522 0.505 0 N-CA-C 110.474 -1.05 . . . . 0.0 110.474 -179.741 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.5 m -38.66 96.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.853 0.359 . . . . 0.0 110.941 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.517 ' O ' ' O ' ' A' ' 59' ' ' PRO . 41.5 mtm180 -85.01 148.26 50.17 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.203 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.517 ' O ' ' O ' ' A' ' 58' ' ' ARG . 81.1 Cg_exo -40.19 175.09 0.0 OUTLIER 'Trans proline' 0 C--N 1.311 -1.419 0 C-N-CA 122.74 2.293 . . . . 0.0 112.45 179.616 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 17.6 pttp -102.28 -170.26 1.79 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.529 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 14.3 ptt? -122.66 123.24 40.68 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.575 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.494 ' O ' ' N ' ' A' ' 65' ' ' GLN . 1.4 p -80.91 149.52 67.18 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.309 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.4 ' O ' ' HB2' ' A' ' 67' ' ' ALA . 85.1 Cg_exo -37.98 -37.84 0.65 Allowed 'Trans proline' 0 C--N 1.311 -1.419 0 C-N-CA 122.495 2.13 . . . . 0.0 112.185 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 75.9 tt0 -67.66 -36.13 80.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.408 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.494 ' N ' ' O ' ' A' ' 62' ' ' THR . 21.1 mm100 -63.92 -65.98 0.61 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.562 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 2.4 ptp -55.89 -39.71 71.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.492 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.4 ' HB2' ' O ' ' A' ' 63' ' ' PRO . . . -56.88 -48.86 77.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.622 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 50.7 tttm -65.63 -53.99 33.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.534 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -55.19 -51.41 66.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.634 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 51.3 mtp -56.2 -63.49 1.17 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.607 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 14.3 t -48.75 -32.33 8.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.522 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -72.43 -39.7 67.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.559 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -67.7 -50.27 58.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.614 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.413 ' O ' ' O ' ' A' ' 75' ' ' SER . 33.7 mt -63.12 -22.71 67.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.444 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.413 ' O ' ' O ' ' A' ' 74' ' ' LEU . 11.3 t 48.61 98.65 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.658 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 37.9 mmm-85 -57.77 -32.49 67.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.559 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.04 59.43 3.66 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -73.93 122.22 7.53 Favored 'Trans proline' 0 C--N 1.306 -1.677 0 C-N-CA 122.805 2.337 . . . . 0.0 112.034 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.511 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.591 179.98 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.448 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 56.0 tt0 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.849 0.357 . . . . 0.0 110.545 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 62.9 mm-40 -42.95 -60.21 1.7 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.641 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -50.04 -37.11 31.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.595 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.448 ' HB3' ' O ' ' A' ' 6' ' ' GLN . . . -65.71 -67.09 0.47 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.797 -179.756 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.52 HG13 ' N ' ' A' ' 11' ' ' LEU . 6.2 p -56.95 -47.58 83.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.746 -179.732 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.52 ' N ' HG13 ' A' ' 10' ' ' VAL . 86.4 mt -53.39 -60.48 3.24 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.904 -0.318 . . . . 0.0 110.469 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -54.25 -42.15 69.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.557 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.5 tp-100 -62.98 -46.88 85.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.586 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -58.45 -56.4 22.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.516 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 76.0 mtt180 -50.78 -54.03 26.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.473 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 27.7 ttp180 -58.74 -50.43 73.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.62 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -47.63 -50.87 23.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.577 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 51.6 mtm180 -62.15 -48.46 79.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.636 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -49.13 -65.86 0.5 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.556 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.511 ' N ' HD12 ' A' ' 20' ' ' LEU . 8.4 mp -54.19 -60.58 3.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.529 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -41.78 -38.17 1.42 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.552 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.7 tp -71.56 -44.3 64.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.384 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.0 mtm180 -60.5 -51.19 70.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.455 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 17.2 mt -63.18 -42.41 96.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.372 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.25 -42.4 99.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.492 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 87.1 mm-40 -72.2 -32.4 66.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.361 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.7 t -72.06 -55.12 7.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.46 179.787 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.405 ' CD ' ' N ' ' A' ' 29' ' ' ALA . 2.0 pp20? -62.79 -37.28 86.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.3 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.405 ' N ' ' CD ' ' A' ' 28' ' ' GLU . . . -67.15 -43.9 81.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.378 179.805 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.2 mm-40 -76.03 -25.07 55.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.295 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.2 tp 69.95 40.7 1.23 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.63 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.503 ' O ' ' C ' ' A' ' 33' ' ' SER . 87.5 mt -104.15 -58.12 4.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.455 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.503 ' C ' ' O ' ' A' ' 32' ' ' ILE . 0.7 OUTLIER 26.21 56.01 0.05 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.473 179.716 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.414 ' N ' ' OD1' ' A' ' 34' ' ' ASP . 25.4 p-10 -44.86 -36.42 3.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.655 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 45.4 tp10 -47.82 -54.06 13.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.607 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.18 -54.54 20.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.612 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 67.3 mm-40 -54.26 -59.92 4.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.602 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.1 -56.92 10.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.575 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -46.74 -66.29 0.43 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.551 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 17.3 mt -48.08 -47.98 33.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.497 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.89 -40.01 79.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.592 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 16.8 mt -75.84 -20.09 58.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.522 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 26.9 ttm105 -77.51 -42.48 35.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.477 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -80.94 0.96 33.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.627 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 97.7 p -45.43 118.36 1.72 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.573 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.563 ' H ' HD23 ' A' ' 46' ' ' LEU . 0.1 OUTLIER -77.72 -48.74 15.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.494 -179.916 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 35.3 t0 -66.56 -17.9 65.07 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.552 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.416 ' O ' ' OG ' ' A' ' 48' ' ' SER . 15.9 t 50.79 31.78 6.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.559 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 18.1 p90 -70.33 146.27 94.19 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.277 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -69.22 177.26 5.38 Favored 'Trans proline' 0 C--N 1.311 -1.434 0 C-N-CA 122.432 2.088 . . . . 0.0 112.081 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 74.3 t -100.26 112.77 33.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.536 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 45.7 t -78.25 107.82 11.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.483 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.402 ' O ' ' OD1' ' A' ' 54' ' ' ASN . 10.8 pttp -101.27 169.89 8.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.616 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.402 ' OD1' ' O ' ' A' ' 53' ' ' LYS . 8.0 m120 -153.1 70.41 0.87 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.508 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -44.01 -30.54 0.74 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.562 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 71.51 31.04 65.89 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.836 -0.906 . . . . 0.0 110.836 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 17.0 p -148.18 75.37 1.33 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.881 0.372 . . . . 0.0 110.457 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 60.6 mtt-85 -61.94 147.45 89.88 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.403 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -68.93 -178.93 2.24 Favored 'Trans proline' 0 N--CA 1.494 1.517 0 C-N-CA 122.457 2.105 . . . . 0.0 111.931 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 46.7 pttt -141.26 162.29 35.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.504 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -79.91 127.41 32.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.341 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.8 p -88.89 148.3 40.98 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.516 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -40.15 -42.76 3.57 Favored 'Trans proline' 0 C--N 1.311 -1.405 0 C-N-CA 122.475 2.117 . . . . 0.0 112.087 179.658 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -64.95 -51.86 59.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.549 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -47.5 -53.99 12.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.523 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 60.5 mtm -63.39 -49.47 73.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.461 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -48.01 -50.42 27.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.546 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 62.9 tttt -64.31 -53.83 42.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.615 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -49.28 -47.95 46.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.589 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 56.7 mtt -61.96 -64.1 1.04 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.62 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 18.2 t -46.36 -35.94 5.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.643 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -79.15 -34.08 43.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.62 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -69.32 -56.93 6.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.6 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.412 ' H ' ' HG ' ' A' ' 74' ' ' LEU . 47.4 mt -49.61 -33.89 16.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.611 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.8 t -80.89 31.42 0.31 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.541 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.414 ' H ' ' H ' ' A' ' 77' ' ' GLY . 48.5 ttt180 -153.11 -15.69 0.15 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.544 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.414 ' H ' ' H ' ' A' ' 76' ' ' ARG . . . -43.46 -59.28 3.66 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -46.91 158.99 0.36 Allowed 'Trans proline' 0 C--N 1.306 -1.688 0 C-N-CA 122.818 2.346 . . . . 0.0 112.101 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 118.028 -0.986 . . . . 0.0 110.563 179.984 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.478 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 25.3 pt20 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.835 0.35 . . . . 0.0 110.552 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 23.0 mm100 -45.64 -60.5 2.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.627 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.8 tp60 -48.44 -33.88 10.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.883 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.478 ' HB3' ' O ' ' A' ' 6' ' ' GLN . . . -68.61 -64.41 0.87 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.969 -179.744 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 5.0 p -62.13 -30.61 49.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.723 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' A' ' 11' ' ' LEU . 59.0 mt -68.18 -66.63 0.54 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.598 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -56.22 -35.29 67.16 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.553 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 66.0 tp60 -63.87 -46.77 83.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.393 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -66.96 -56.68 9.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.534 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 77.6 mtt180 -48.3 -48.88 35.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.476 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 57.1 ttt180 -60.89 -62.05 2.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.57 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 36.5 t0 -41.56 -54.03 3.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.651 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 85.6 mtt-85 -56.35 -54.27 47.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.519 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -48.49 -67.75 0.24 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.534 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.469 ' N ' HD12 ' A' ' 20' ' ' LEU . 9.9 mp -45.18 -63.93 0.83 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.486 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -45.96 -36.94 5.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.629 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.2 tp -72.07 -40.09 68.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.527 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 25.1 mtm180 -63.76 -47.98 78.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.485 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 25.1 mt -67.79 -38.56 80.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.594 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.28 -44.37 71.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.639 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 77.4 mm-40 -67.03 -36.61 82.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.745 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 37.9 t -71.29 -57.92 4.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.755 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -59.95 -31.85 70.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.584 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.74 -45.77 60.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.59 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -79.35 -25.23 42.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.664 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.2 tp 48.8 40.3 15.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.822 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 64.5 mt -98.11 -59.85 3.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.874 0.369 . . . . 0.0 110.516 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.2 m -71.33 50.04 0.15 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.689 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -49.02 -30.04 5.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.373 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -54.07 -51.94 62.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.413 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.66 -60.59 3.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.478 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.406 ' HG2' ' H ' ' A' ' 37' ' ' GLN . 3.3 mm100 -44.93 -46.85 11.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.475 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.25 -45.25 93.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.539 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -59.38 -65.98 0.58 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.612 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.47 ' N ' HD12 ' A' ' 40' ' ' LEU . 10.2 mp -45.14 -44.86 11.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.399 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.97 -45.33 93.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.547 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 13.3 mt -67.23 -40.6 86.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.41 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 51.4 ttm-85 -67.43 -30.6 70.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.487 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 47.6 ttt180 -85.98 -38.07 18.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.409 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 66.4 m -98.85 78.47 2.31 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.569 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.537 ' C ' ' H ' ' A' ' 48' ' ' SER . 3.2 tp -70.35 -11.5 60.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.417 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -64.84 10.1 0.08 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.808 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.537 ' H ' ' C ' ' A' ' 46' ' ' LEU . 29.4 t -41.33 -49.83 3.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.644 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -79.34 146.9 67.45 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.406 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_endo -70.01 119.71 6.59 Favored 'Trans proline' 0 C--N 1.31 -1.461 0 C-N-CA 122.432 2.088 . . . . 0.0 111.912 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 75.5 t -81.46 131.9 32.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.528 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 40.0 m -131.13 122.96 27.57 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.478 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.469 ' NZ ' ' CB ' ' A' ' 53' ' ' LYS . 2.4 ttmp? -83.83 146.49 28.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.486 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -76.19 88.2 3.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.504 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.434 ' O ' ' OD1' ' A' ' 55' ' ' ASP . 34.3 t0 -56.99 -28.17 62.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.617 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 79.93 41.3 12.63 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -151.28 119.87 6.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.851 0.358 . . . . 0.0 110.46 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 85.9 mtm180 -82.45 147.59 56.65 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.487 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -69.19 -179.07 2.41 Favored 'Trans proline' 0 C--N 1.309 -1.511 0 C-N-CA 122.516 2.144 . . . . 0.0 111.905 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 22.0 tptt -115.2 112.31 22.3 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.583 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.569 ' SD ' ' N ' ' A' ' 61' ' ' MET . 4.1 mpp? -92.96 127.54 38.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.462 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.421 ' O ' ' N ' ' A' ' 65' ' ' GLN . 40.7 p -79.18 147.74 69.84 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.352 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 80.4 Cg_exo -38.25 -39.26 0.98 Allowed 'Trans proline' 0 C--N 1.31 -1.462 0 C-N-CA 122.457 2.105 . . . . 0.0 112.242 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -63.59 -40.36 96.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.655 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.421 ' N ' ' O ' ' A' ' 62' ' ' THR . 74.3 mt-30 -65.91 -67.54 0.44 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.62 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 6.0 ptm -49.69 -42.64 46.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.628 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.22 -61.98 2.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.593 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -46.45 -50.0 17.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.492 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.503 ' O ' ' N ' ' A' ' 73' ' ' PHE . 27.1 mm-40 -57.35 -58.23 9.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.637 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 54.4 mtt -48.75 -53.46 18.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.516 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.7 t -56.86 -38.6 72.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.535 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -79.76 -22.66 42.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.566 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.503 ' N ' ' O ' ' A' ' 69' ' ' GLU . 35.0 t80 -82.11 -59.64 2.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.591 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 22.5 mt -48.18 -14.16 0.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.428 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.465 ' N ' ' C ' ' A' ' 73' ' ' PHE . 69.9 m -59.65 137.98 57.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.513 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 62.9 mtt85 -68.2 0.01 4.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.643 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -165.24 174.64 41.12 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -73.15 79.78 1.99 Allowed 'Trans proline' 0 C--N 1.306 -1.672 0 C-N-CA 122.758 2.305 . . . . 0.0 112.041 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.43 0 CA-C-O 117.969 -1.015 . . . . 0.0 110.539 -179.998 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.504 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 9.1 pt20 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.864 0.364 . . . . 0.0 110.598 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -47.16 -60.37 2.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.506 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 34.3 mm-40 -47.38 -30.55 3.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.698 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.504 ' HB3' ' O ' ' A' ' 6' ' ' GLN . . . -72.3 -62.96 1.25 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.642 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.5 p -62.38 -31.49 51.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.498 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 79.3 mt -68.91 -51.86 35.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.28 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.6 mm-40 -63.6 -35.28 80.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.576 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 11.6 tp-100 -70.67 -39.71 73.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.612 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 79.8 mt-10 -66.25 -58.56 5.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.553 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.469 ' CG ' ' N ' ' A' ' 16' ' ' ARG . 5.8 ptm180 -57.55 -44.78 85.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.37 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.469 ' N ' ' CG ' ' A' ' 15' ' ' ARG . 41.2 ttm180 -63.3 -51.09 67.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.337 179.816 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -48.86 -48.74 41.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.412 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 23.7 mmt180 -60.97 -51.71 68.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.472 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 54.8 mm-40 -46.28 -58.43 3.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.605 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.438 HD12 ' N ' ' A' ' 20' ' ' LEU . 10.9 mp -58.54 -66.11 0.54 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.361 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -40.76 -36.65 0.65 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.668 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.9 tp -67.38 -52.55 38.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.286 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 33.9 mtp180 -53.29 -57.52 10.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.193 179.676 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 10.8 mt -50.96 -56.79 3.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.121 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -48.46 -44.98 36.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.288 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 94.2 mm-40 -69.19 -22.43 63.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.736 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.425 ' O ' ' N ' ' A' ' 31' ' ' LEU . 31.5 t -77.91 -51.16 10.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.872 0.367 . . . . 0.0 110.294 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -68.69 -27.71 66.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.791 179.516 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -78.37 -41.69 32.59 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.699 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -87.73 -26.03 23.13 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.739 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.425 ' N ' ' O ' ' A' ' 27' ' ' SER . 7.1 mt 44.24 49.81 7.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.795 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.731 HG22 ' N ' ' A' ' 33' ' ' SER . 91.0 mt -102.21 -105.32 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.144 179.582 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.731 ' N ' HG22 ' A' ' 32' ' ' ILE . 2.4 p -130.99 9.19 4.85 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.958 0.408 . . . . 0.0 110.302 179.701 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -49.17 -14.56 0.09 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.038 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.468 ' CG ' ' N ' ' A' ' 36' ' ' ALA . 16.6 pt-20 -60.53 -44.13 96.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.342 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.468 ' N ' ' CG ' ' A' ' 35' ' ' GLU . . . -53.41 -48.46 68.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.208 179.729 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -63.56 -60.03 3.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.478 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -47.18 -50.22 21.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.392 179.766 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -56.22 -52.57 63.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.474 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.665 HD23 HH22 ' A' ' 43' ' ' ARG . 10.2 mt -50.49 -51.48 46.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.36 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.47 -34.97 76.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.683 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 13.7 mt -72.62 -38.78 67.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.661 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.665 HH22 HD23 ' A' ' 40' ' ' LEU . 20.0 ttp-105 -75.86 -45.35 36.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.588 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 33.0 ttt180 -59.85 -16.22 27.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.484 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.3 t -87.85 95.5 10.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.472 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.611 HD22 ' N ' ' A' ' 46' ' ' LEU . 3.5 mm? -71.14 -14.89 62.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.385 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -71.54 3.47 3.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.575 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.452 ' OG ' ' N ' ' A' ' 49' ' ' TYR . 93.6 p -45.25 -71.23 0.08 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.491 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.452 ' N ' ' OG ' ' A' ' 48' ' ' SER . 3.0 m-85 -73.42 153.9 89.96 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.174 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -68.29 119.76 6.75 Favored 'Trans proline' 0 C--N 1.309 -1.551 0 C-N-CA 122.562 2.175 . . . . 0.0 111.861 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.444 ' O ' HG13 ' A' ' 51' ' ' VAL . 14.5 p -74.81 130.12 36.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.606 -179.851 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 27.3 p -81.91 161.47 23.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.499 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 77.1 mttt -133.04 150.88 52.09 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.518 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 47.56 65.93 1.15 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.542 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -122.64 16.68 10.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.527 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 79.75 18.92 71.83 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -169.84 92.1 0.22 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.862 0.363 . . . . 0.0 110.575 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 16.1 mtp-105 -79.23 150.3 74.0 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.284 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -66.79 -178.97 1.44 Allowed 'Trans proline' 0 C--N 1.309 -1.513 0 C-N-CA 122.492 2.128 . . . . 0.0 111.952 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -131.71 129.58 40.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.511 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.587 ' N ' ' SD ' ' A' ' 61' ' ' MET . 2.8 mpp? -82.35 139.56 34.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.527 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -76.64 156.19 83.06 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.166 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_endo -57.55 -41.1 74.96 Favored 'Trans proline' 0 C--N 1.309 -1.509 0 C-N-CA 122.56 2.173 . . . . 0.0 111.907 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 49.7 tt0 -64.19 -36.33 83.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.575 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -67.15 -67.89 0.42 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.472 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 11.5 ptm -48.48 -42.32 32.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.451 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.09 -51.81 68.45 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.45 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 12.5 tptp -57.19 -50.5 72.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.377 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -51.68 -45.71 63.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.426 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 4.1 mmt -58.64 -57.31 13.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.447 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 23.1 t -54.03 -28.38 38.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.407 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 86.0 mt-10 -84.25 -36.54 22.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.572 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -71.76 -32.12 67.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.628 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 15.3 mt -77.61 -17.49 57.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.454 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.8 p 69.28 164.9 0.25 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.605 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -78.15 -111.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.556 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.519 ' C ' ' H ' ' A' ' 79' ' ' ALA . . . -81.05 -174.57 49.03 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -50.28 -5.5 0.07 OUTLIER 'Trans proline' 0 C--N 1.306 -1.681 0 C-N-CA 122.85 2.366 . . . . 0.0 112.129 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.519 ' H ' ' C ' ' A' ' 77' ' ' GLY . . . . . . . . 0 C--O 1.22 -0.449 0 CA-C-O 118.035 -0.984 . . . . 0.0 110.561 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.467 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 14.4 pt20 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.953 0.406 . . . . 0.0 110.279 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 28.1 mm100 -46.19 -60.12 2.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.458 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.4 mm100 -46.89 -34.42 5.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.639 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.467 ' HB3' ' O ' ' A' ' 6' ' ' GLN . . . -69.41 -65.16 0.75 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.812 -179.769 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.4 p -60.99 -29.79 46.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.734 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 53.7 mt -67.17 -58.8 4.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.353 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -61.29 -35.43 77.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.559 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 35.2 tp60 -70.74 -37.4 73.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.732 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -67.12 -57.29 7.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.481 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.429 ' CG ' ' N ' ' A' ' 16' ' ' ARG . 11.3 ptm180 -58.76 -42.91 90.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.381 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.429 ' N ' ' CG ' ' A' ' 15' ' ' ARG . 21.5 ttm180 -66.62 -53.47 33.87 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.298 179.62 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -47.4 -45.04 24.93 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.317 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 40.5 mtt-85 -63.99 -55.44 22.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.287 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -43.6 -61.23 1.46 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.509 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.502 HD12 ' N ' ' A' ' 20' ' ' LEU . 8.8 mp -57.73 -61.91 2.18 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.314 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -44.66 -34.19 2.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.581 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.4 tp -69.92 -47.64 61.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.242 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 27.5 mtp180 -58.18 -58.39 8.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.058 179.584 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.47 ' O ' ' N ' ' A' ' 27' ' ' SER . 11.8 mt -52.74 -58.22 3.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.975 179.736 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -45.93 -44.23 14.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.246 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -70.8 -23.92 62.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.479 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.502 ' O ' ' N ' ' A' ' 31' ' ' LEU . 10.2 t -74.8 -48.97 22.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.133 179.793 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -68.38 -34.09 75.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.831 179.46 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.46 -39.39 70.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.608 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.621 ' O ' ' N ' ' A' ' 32' ' ' ILE . 49.5 mt-10 -89.36 -24.36 21.98 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.742 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.502 ' N ' ' O ' ' A' ' 27' ' ' SER . 0.9 OUTLIER 31.52 27.42 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.899 -179.844 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.621 ' N ' ' O ' ' A' ' 30' ' ' GLU . 25.6 mt -118.91 -19.48 5.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.252 179.548 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.9 p -72.17 58.35 0.37 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.545 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.0 p-10 -53.18 -37.21 61.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.504 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 65.4 tt0 -43.79 -38.45 3.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.674 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.48 -54.53 42.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.563 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 55.7 mm-40 -60.47 -43.86 96.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.555 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.01 -51.85 67.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.547 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.497 ' O ' ' N ' ' A' ' 43' ' ' ARG . 52.4 m-20 -58.67 -55.0 40.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.552 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 14.9 mt -52.28 -42.88 64.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.526 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.73 -44.15 78.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.541 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 18.2 mt -74.43 -21.14 59.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.446 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.497 ' N ' ' O ' ' A' ' 39' ' ' ASP . 49.4 ttp180 -78.24 -48.04 16.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.514 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -71.63 -28.36 63.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.556 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.474 ' C ' ' N ' ' A' ' 47' ' ' ASP . 46.4 m -69.84 84.89 0.48 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.533 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.432 ' C ' ' H ' ' A' ' 48' ' ' SER . 3.9 tp -45.8 -16.67 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.571 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.474 ' N ' ' C ' ' A' ' 45' ' ' SER . 13.0 t70 -74.53 14.25 0.5 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.57 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.432 ' H ' ' C ' ' A' ' 46' ' ' LEU . 11.9 p -80.79 -27.92 36.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.579 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 62.3 m-85 -62.59 150.45 86.21 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.406 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_exo -41.97 119.49 1.21 Allowed 'Trans proline' 0 C--N 1.313 -1.34 0 C-N-CA 122.357 2.038 . . . . 0.0 112.023 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.441 HG22 ' H ' ' A' ' 51' ' ' VAL . 1.7 m -84.18 102.94 10.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.477 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.7 p -101.81 138.52 38.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.504 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 43.6 pttt -133.08 136.83 46.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.575 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 16.2 t30 46.26 47.7 13.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.523 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -157.58 75.95 0.8 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.503 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 100.78 -18.02 55.57 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 11.4 m 45.1 71.58 0.26 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.821 0.343 . . . . 0.0 110.648 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 78.8 mtt-85 -60.73 146.81 85.58 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.484 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -68.65 -178.9 2.12 Favored 'Trans proline' 0 N--CA 1.494 1.504 0 C-N-CA 122.351 2.034 . . . . 0.0 111.928 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 28.1 tttm -150.95 113.35 4.62 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.557 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 6.4 tpp -85.41 130.89 34.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.347 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 7.7 p -87.58 148.22 43.56 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.644 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -41.52 -49.28 5.2 Favored 'Trans proline' 0 C--N 1.311 -1.402 0 C-N-CA 122.509 2.14 . . . . 0.0 112.215 179.677 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -54.97 -54.08 47.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.594 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -51.18 -50.21 59.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.609 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 27.8 mtm -61.53 -35.58 78.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.659 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.412 ' O ' ' CB ' ' A' ' 71' ' ' SER . . . -63.91 -57.78 8.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.733 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 38.9 tttm -58.56 -38.64 78.29 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.689 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -67.13 -59.2 3.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.025 -179.722 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.468 ' CG ' ' N ' ' A' ' 71' ' ' SER . 4.2 ptt? -64.13 -42.8 96.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.839 -179.549 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.468 ' N ' ' CG ' ' A' ' 70' ' ' MET . 49.4 m -58.64 -49.7 76.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.679 -179.781 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -65.75 -34.58 78.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.699 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.477 ' C ' ' H ' ' A' ' 75' ' ' SER . 12.8 t80 -73.55 -61.39 1.85 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.714 -179.812 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 21.5 mt -50.4 -10.51 0.06 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.647 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.477 ' H ' ' C ' ' A' ' 73' ' ' PHE . 29.5 t -116.16 83.7 1.99 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.569 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -97.11 -21.5 17.31 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.626 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 86.33 73.98 1.27 Allowed Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -79.71 45.37 1.93 Allowed 'Trans proline' 0 C--N 1.306 -1.682 0 C-N-CA 122.825 2.35 . . . . 0.0 112.024 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 117.95 -1.024 . . . . 0.0 110.594 179.857 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.451 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 28.3 pt20 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.829 0.347 . . . . 0.0 110.575 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -49.24 -60.08 3.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.426 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.427 HE22 ' HB3' ' A' ' 12' ' ' GLU . 0.1 OUTLIER -44.32 -35.12 2.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.59 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.451 ' HB3' ' O ' ' A' ' 6' ' ' GLN . . . -70.1 -64.72 0.83 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.976 -179.716 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.0 p -60.97 -26.3 38.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 C-N-CA 120.809 -0.357 . . . . 0.0 110.472 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 11' ' ' LEU . 45.2 mt -69.63 -59.98 2.61 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.791 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.427 ' HB3' HE22 ' A' ' 8' ' ' GLN . 14.0 pt-20 -65.37 -28.33 69.19 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.597 -0.441 . . . . 0.0 110.442 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 37.3 tp60 -73.79 -42.36 61.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.558 -179.554 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -72.65 -41.96 64.87 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 120.285 -0.566 . . . . 0.0 110.956 -179.389 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.471 ' CG ' ' N ' ' A' ' 16' ' ' ARG . 30.1 ptt85 -69.19 -42.72 75.44 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.556 -0.458 . . . . 0.0 110.026 179.723 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.471 ' N ' ' CG ' ' A' ' 15' ' ' ARG . 64.7 ttt180 -62.91 -46.2 88.95 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.897 0.38 . . . . 0.0 110.123 179.515 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -58.59 -48.72 80.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.324 179.693 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 12.8 mmp_? -61.87 -47.15 86.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.424 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -53.53 -67.22 0.27 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.538 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.9 mp -51.15 -61.05 2.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.442 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -41.47 -38.26 1.24 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.691 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.4 tp -69.23 -48.42 61.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.253 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 44.5 mtp85 -54.77 -57.17 12.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.159 179.671 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 10.5 mt -54.16 -53.1 31.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.086 179.731 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -49.68 -46.51 50.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.196 179.739 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 91.7 mm-40 -71.11 -20.57 62.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.42 179.79 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.8 t -72.95 -55.56 6.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.313 -0.403 . . . . 0.0 109.978 179.696 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -64.82 -39.35 93.43 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.862 179.411 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.61 -42.81 98.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.535 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -75.86 -24.65 55.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.416 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.7 tp 58.23 29.87 18.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.677 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.7 mm -83.99 -14.11 11.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.366 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.429 ' O ' ' OE1' ' A' ' 37' ' ' GLN . 58.4 m -80.21 62.54 4.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.582 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.413 ' O ' ' OD1' ' A' ' 34' ' ' ASP . 9.9 t0 -61.45 -21.56 64.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.683 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 21.0 pt-20 -59.81 -33.16 71.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.706 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -70.93 -57.42 4.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.59 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.539 ' CD ' ' H ' ' A' ' 37' ' ' GLN . 24.9 mp0 -58.93 -44.9 91.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.579 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.32 -51.32 70.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.494 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -59.23 -70.44 0.16 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.432 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.1 mt -40.81 -43.9 2.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.638 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.93 -45.68 91.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.591 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 15.7 mt -60.92 -37.93 84.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.558 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 59.7 mtt180 -75.17 -34.77 61.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.454 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 26.4 ttt180 -71.4 -1.99 14.97 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.735 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 32.2 t -89.71 -16.15 30.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.655 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.548 HD22 ' N ' ' A' ' 46' ' ' LEU . 3.6 mm? -66.32 -13.1 60.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.478 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -77.14 -23.67 51.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.521 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 10.6 t -86.1 70.25 10.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.6 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -64.88 155.42 83.2 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.251 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -69.71 119.7 6.61 Favored 'Trans proline' 0 C--N 1.308 -1.587 0 C-N-CA 122.558 2.172 . . . . 0.0 112.081 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.408 HG22 ' H ' ' A' ' 51' ' ' VAL . 5.0 m -86.75 156.93 3.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.516 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.8 m -73.03 111.6 8.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.569 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.94 157.0 38.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.579 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 56.2 m-20 54.28 66.0 1.35 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.547 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 45.5 t0 -145.78 -53.37 0.27 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.553 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 79.39 -16.55 9.77 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -174.2 95.2 0.09 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.886 0.374 . . . . 0.0 110.618 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.423 ' HG3' ' H ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -85.27 165.35 36.74 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.344 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -72.14 -178.92 3.51 Favored 'Trans proline' 0 C--N 1.306 -1.662 0 C-N-CA 122.845 2.363 . . . . 0.0 111.927 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 74.2 tttt -167.64 43.32 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.625 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.563 ' SD ' ' N ' ' A' ' 61' ' ' MET . 3.8 mpp? -102.17 113.99 27.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.435 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 43.7 p -73.0 147.57 88.5 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.363 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -39.14 -35.55 0.65 Allowed 'Trans proline' 0 C--N 1.311 -1.422 0 C-N-CA 122.474 2.116 . . . . 0.0 112.207 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 53.4 tt0 -61.1 -50.9 71.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.803 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -59.73 -67.98 0.33 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.707 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.602 ' SD ' ' N ' ' A' ' 67' ' ' ALA . 5.0 ppp? -46.48 -39.47 10.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.726 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.602 ' N ' ' SD ' ' A' ' 66' ' ' MET . . . -69.33 -59.02 3.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.484 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.422 ' O ' ' OE2' ' A' ' 72' ' ' GLU . 19.7 tptm -52.37 -52.28 54.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.401 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 76.9 mt-10 -55.6 -56.52 19.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.464 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 39.0 mmm -49.85 -44.4 49.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.376 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 19.7 m -57.76 -48.37 79.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.567 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.443 ' N ' ' OE1' ' A' ' 72' ' ' GLU . 0.3 OUTLIER -73.47 -26.65 61.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.608 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.487 ' C ' ' H ' ' A' ' 75' ' ' SER . 35.2 t80 -71.62 -57.31 4.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.466 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 22.8 mt -53.45 -7.89 0.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.583 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.487 ' H ' ' C ' ' A' ' 73' ' ' PHE . 17.6 t -132.57 103.34 6.1 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.513 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 70.0 mtm180 -53.8 -8.98 0.19 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.522 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.46 ' H ' ' C ' ' A' ' 75' ' ' SER . . . 80.2 58.99 2.65 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -73.48 107.44 2.39 Favored 'Trans proline' 0 C--N 1.307 -1.642 0 C-N-CA 122.764 2.309 . . . . 0.0 112.041 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.53 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.583 -179.941 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.784 0.326 . . . . 0.0 110.585 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -60.71 -60.4 3.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.591 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -50.04 -34.35 21.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.818 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.94 -67.13 0.48 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.05 -179.678 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.488 HG13 ' N ' ' A' ' 11' ' ' LEU . 13.8 p -58.34 -41.25 80.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.729 -179.584 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.488 ' N ' HG13 ' A' ' 10' ' ' VAL . 82.1 mt -59.61 -60.47 3.79 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.903 -0.319 . . . . 0.0 110.356 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -50.41 -49.76 53.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.418 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 40.4 tp60 -54.37 -44.04 71.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.484 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -65.56 -53.33 43.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.581 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 34.0 mmt180 -46.62 -52.01 14.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.568 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -64.77 -58.66 5.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.583 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -42.53 -47.76 5.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.611 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 48.4 mtm180 -64.23 -54.92 25.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.527 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -45.73 -62.41 1.31 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.498 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.524 ' N ' HD12 ' A' ' 20' ' ' LEU . 8.2 mp -55.57 -65.03 0.66 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.43 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -40.41 -38.31 0.81 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.694 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.4 tp -66.5 -51.04 60.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.296 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 33.8 mtp85 -53.74 -56.36 18.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.145 179.708 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 11.7 mt -51.46 -53.95 13.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.086 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -48.76 -47.1 41.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.118 179.722 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 96.7 mm-40 -68.52 -22.22 64.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.427 179.739 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 31' ' ' LEU . 6.1 t -74.45 -55.99 5.35 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.157 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -60.62 -39.78 89.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.874 179.376 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.02 -48.11 77.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.457 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -75.84 -25.02 55.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.508 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 27' ' ' SER . 5.4 tp 53.73 36.77 24.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.645 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.406 ' O ' ' N ' ' A' ' 34' ' ' ASP . 3.5 mm -87.52 -19.47 7.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.373 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 11.5 p -69.2 64.3 0.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.531 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.406 ' N ' ' O ' ' A' ' 32' ' ' ILE . 35.5 t0 -47.64 -31.22 4.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.436 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.427 ' O ' ' OD1' ' A' ' 39' ' ' ASP . 43.4 tt0 -53.42 -48.81 68.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.511 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.42 -53.6 56.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.546 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 18.0 mm100 -51.47 -49.4 61.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.543 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.76 -36.31 78.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.557 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.427 ' OD1' ' O ' ' A' ' 35' ' ' GLU . 9.6 m-20 -69.93 -47.91 60.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.583 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.9 mt -63.48 -32.6 74.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.454 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -73.11 -53.66 10.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.729 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.568 ' C ' HD12 ' A' ' 42' ' ' LEU . 1.1 pp -67.65 -26.46 66.23 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.558 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 56.8 ttt180 -83.4 -31.12 26.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.515 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 28.6 ttt85 -69.75 -28.13 65.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.418 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.0 t -83.94 126.46 33.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.495 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.604 ' C ' ' H ' ' A' ' 48' ' ' SER . 8.1 mp -80.27 -2.54 45.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.533 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -66.68 25.21 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.755 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.604 ' H ' ' C ' ' A' ' 46' ' ' LEU . 6.8 m -96.61 -41.85 8.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.706 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.481 ' O ' ' O ' ' A' ' 50' ' ' PRO . 12.4 m-85 -71.15 150.79 94.66 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.327 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.481 ' O ' ' O ' ' A' ' 49' ' ' TYR . 81.3 Cg_exo -41.74 174.57 0.0 OUTLIER 'Trans proline' 0 C--N 1.312 -1.356 0 C-N-CA 122.658 2.239 . . . . 0.0 112.435 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 78.0 t -96.78 102.98 14.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.4 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 28.9 t -93.52 122.46 35.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.665 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 83.1 mttt -85.75 165.15 17.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.492 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 43.6 t30 45.97 28.09 0.58 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.55 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -65.32 -50.53 65.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.667 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.427 ' O ' ' O ' ' A' ' 57' ' ' THR . . . 81.39 4.48 90.42 Favored Glycine 0 CA--C 1.522 0.495 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.427 ' O ' ' O ' ' A' ' 56' ' ' GLY . 14.5 p 39.53 94.1 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.958 0.409 . . . . 0.0 110.863 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 18.7 mtt85 -105.21 147.63 34.87 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.32 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -67.85 -178.85 1.79 Allowed 'Trans proline' 0 N--CA 1.493 1.461 0 C-N-CA 122.362 2.042 . . . . 0.0 111.982 179.791 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 49.4 tttp -157.54 115.83 3.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.648 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 12.6 mtt -81.7 109.93 16.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.454 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.4 p -76.94 148.24 78.52 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.259 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_exo -38.19 -39.91 1.07 Allowed 'Trans proline' 0 C--N 1.311 -1.433 0 C-N-CA 122.508 2.138 . . . . 0.0 112.283 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -66.73 -46.7 74.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.614 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 61.4 mt-30 -55.64 -64.56 0.81 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.629 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.503 ' O ' ' SD ' ' A' ' 70' ' ' MET . 8.2 ptm -55.27 -53.04 61.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.69 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.446 ' N ' ' CG ' ' A' ' 66' ' ' MET . . . -45.86 -53.54 9.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.517 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 12.5 tptp -60.81 -61.06 2.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.597 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -46.2 -54.58 8.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.559 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.604 ' N ' ' SD ' ' A' ' 70' ' ' MET . 0.0 OUTLIER -50.59 -57.81 7.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.437 179.939 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 38.1 m -55.11 -26.96 41.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.615 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -78.34 -35.2 47.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.61 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -74.69 -37.15 62.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.54 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 20.0 mt -73.05 -7.94 53.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.479 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 21.9 t -139.77 96.98 3.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.473 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.4 ' H ' ' HD3' ' A' ' 76' ' ' ARG . 0.1 OUTLIER -82.47 -89.89 0.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.473 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.411 ' C ' ' H ' ' A' ' 79' ' ' ALA . . . 78.94 -178.71 53.35 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -74.4 30.21 0.34 Allowed 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 122.781 2.321 . . . . 0.0 112.078 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.411 ' H ' ' C ' ' A' ' 77' ' ' GLY . . . . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 118.063 -0.97 . . . . 0.0 110.626 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.461 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 7.4 tt0 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.819 0.342 . . . . 0.0 110.588 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -50.45 -60.19 3.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.567 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -49.22 -34.87 15.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.64 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' A' ' 6' ' ' GLN . . . -65.84 -67.02 0.48 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.775 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.506 HG13 ' N ' ' A' ' 11' ' ' LEU . 7.7 p -59.13 -44.94 92.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.758 -179.817 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.506 ' N ' HG13 ' A' ' 10' ' ' VAL . 76.1 mt -53.54 -54.5 36.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.354 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -60.64 -43.88 97.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.533 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -59.85 -39.09 84.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.586 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 70.9 mt-10 -66.38 -48.29 70.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.539 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 80.3 mtt180 -55.87 -56.2 23.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.504 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 52.1 ttp180 -57.96 -56.81 17.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.457 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -43.8 -44.4 6.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.528 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 16.9 mmt180 -64.76 -53.24 50.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.334 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -45.69 -59.57 2.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.511 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.545 ' N ' HD12 ' A' ' 20' ' ' LEU . 8.4 mp -59.43 -66.34 0.53 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.378 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -39.38 -36.59 0.37 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.671 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.2 tp -68.79 -51.15 44.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.211 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 39.5 mtp180 -58.6 -59.08 5.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.133 179.633 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.468 ' O ' ' N ' ' A' ' 27' ' ' SER . 13.9 mt -49.27 -55.04 4.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.888 179.655 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -45.38 -50.89 11.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.22 179.558 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -67.24 -20.87 65.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.409 179.631 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.485 ' O ' ' N ' ' A' ' 31' ' ' LEU . 5.0 t -76.63 -50.0 14.86 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.17 179.809 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -65.68 -35.25 80.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.95 179.542 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.54 -44.41 64.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.512 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -81.38 -25.18 36.51 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.64 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.485 ' N ' ' O ' ' A' ' 27' ' ' SER . 2.8 mt 52.13 24.46 2.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.544 179.782 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 70.7 mt -85.51 -24.43 6.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.336 179.689 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.456 ' C ' ' N ' ' A' ' 35' ' ' GLU . 6.8 t -78.46 43.74 0.48 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.696 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -50.07 -15.22 0.19 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.999 0.428 . . . . 0.0 110.056 179.726 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.456 ' N ' ' C ' ' A' ' 33' ' ' SER . 1.3 pp20? -64.12 -29.4 70.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.452 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.58 -47.01 67.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.332 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.483 ' N ' ' CD ' ' A' ' 37' ' ' GLN . 17.8 mp0 -63.82 -52.61 59.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.32 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.44 -40.89 79.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.353 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.533 ' OD2' ' NH1' ' A' ' 43' ' ' ARG . 15.4 t70 -62.62 -60.36 3.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.484 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.0 mt -46.57 -47.18 19.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.472 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.65 -53.56 56.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.524 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 13.7 mt -57.97 -41.99 84.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.558 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.533 ' NH1' ' OD2' ' A' ' 39' ' ' ASP . 22.3 ttm105 -66.01 -46.19 78.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.506 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 27.1 ttt180 -59.81 -37.62 79.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.481 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 37.3 m -89.8 73.0 7.59 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.551 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.428 ' C ' ' H ' ' A' ' 48' ' ' SER . 5.6 tp -74.37 -30.1 61.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.544 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -63.59 -0.6 0.99 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.632 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.437 ' OG ' ' N ' ' A' ' 49' ' ' TYR . 88.7 p -77.05 -76.24 0.18 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.55 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.437 ' N ' ' OG ' ' A' ' 48' ' ' SER . 3.2 m-85 -69.05 154.06 95.43 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.343 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -68.86 121.27 8.14 Favored 'Trans proline' 0 C--N 1.309 -1.529 0 C-N-CA 122.529 2.153 . . . . 0.0 111.967 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 95.3 t -74.59 135.92 26.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.485 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 20.3 t -74.92 128.54 35.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.788 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 15.1 pttm -133.11 130.87 39.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.378 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 38.3 t30 -160.12 70.12 0.42 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.696 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -90.68 -55.59 3.52 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.445 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 87.61 -2.55 86.2 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 24.4 p -96.9 77.73 2.8 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.779 0.323 . . . . 0.0 110.498 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 45.5 mtp85 -86.32 148.06 46.22 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.496 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -68.67 -178.93 2.14 Favored 'Trans proline' 0 N--CA 1.494 1.505 0 C-N-CA 122.553 2.169 . . . . 0.0 111.894 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -163.17 43.81 0.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.615 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.469 ' SD ' ' N ' ' A' ' 61' ' ' MET . 4.1 mpp? -97.3 140.76 31.29 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.466 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.7 p -79.56 151.25 74.3 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.408 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.416 ' O ' ' HB2' ' A' ' 67' ' ' ALA . 80.6 Cg_exo -38.77 -44.26 2.3 Favored 'Trans proline' 0 C--N 1.31 -1.454 0 C-N-CA 122.666 2.244 . . . . 0.0 112.453 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -65.25 -45.69 83.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.688 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.493 ' OE1' ' N ' ' A' ' 65' ' ' GLN . 4.4 mp0 -62.18 -63.4 1.25 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.635 -179.812 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.491 ' SD ' ' N ' ' A' ' 67' ' ' ALA . 0.0 OUTLIER -54.03 -36.22 62.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.718 -179.739 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.491 ' N ' ' SD ' ' A' ' 66' ' ' MET . . . -65.18 -64.46 0.86 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.468 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 15.9 tptp -45.19 -54.06 7.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.509 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 72.7 mt-10 -53.35 -52.34 59.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.558 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 7.1 mmt -60.66 -63.04 1.44 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.536 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 38.7 p -45.55 -36.22 4.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.648 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -77.4 -32.04 54.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.537 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -72.99 -53.34 11.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.482 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 37.0 mt -59.45 -12.28 5.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.458 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.5 t -73.37 -6.76 48.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.569 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 83.3 mtp180 -78.26 -100.43 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.622 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 160.83 -68.82 0.24 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -73.47 -170.03 0.61 Allowed 'Trans proline' 0 C--N 1.306 -1.686 0 C-N-CA 122.809 2.339 . . . . 0.0 111.993 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.496 0 CA-C-O 117.963 -1.018 . . . . 0.0 110.525 179.931 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.49 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 15.2 pt20 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.798 0.333 . . . . 0.0 110.342 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 28.0 mm100 -45.37 -60.29 2.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.488 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -47.16 -33.91 5.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.673 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.49 ' HB3' ' O ' ' A' ' 6' ' ' GLN . . . -69.59 -64.86 0.8 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.754 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.8 p -60.71 -30.28 46.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.648 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 57.5 mt -66.52 -61.48 1.97 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.265 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -60.12 -36.3 77.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.495 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -66.05 -45.29 81.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.573 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -64.96 -56.52 12.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.417 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 85.4 mtt-85 -50.5 -53.22 31.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.361 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.416 ' O ' ' N ' ' A' ' 19' ' ' GLU . 39.3 ttp180 -59.32 -62.16 2.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.411 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 16' ' ' ARG . 25.4 t0 -39.59 -41.48 1.03 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.613 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 15.3 mmt85 -68.39 -45.48 72.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.25 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.416 ' N ' ' O ' ' A' ' 16' ' ' ARG . 58.5 mm-40 -55.86 -53.33 58.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.431 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 14.0 mt -60.31 -61.56 2.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.399 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -43.43 -36.51 1.99 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.426 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.4 tp -69.21 -47.92 63.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.163 179.751 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 25.5 mtp180 -55.24 -57.19 12.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.119 179.662 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 10.8 mt -54.02 -54.86 17.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.132 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -48.69 -48.78 39.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.178 179.744 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 91.0 mm-40 -69.33 -19.93 63.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.31 179.664 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.3 t -73.77 -57.06 4.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 109.933 179.679 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -62.01 -39.13 91.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.726 179.249 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.1 -45.19 93.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.394 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 53.6 mm-40 -75.84 -25.05 55.88 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.526 179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.4 tp 62.49 57.14 1.92 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.529 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.413 ' O ' ' C ' ' A' ' 33' ' ' SER . 4.9 mm -125.23 -92.11 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.338 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.479 ' O ' ' N ' ' A' ' 35' ' ' GLU . 2.8 t 37.2 53.41 1.23 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.927 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -44.67 -18.98 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.212 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 33' ' ' SER . 20.2 tt0 -69.59 -51.62 33.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.299 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.3 -50.57 69.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.551 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 63.5 mm-40 -59.42 -50.99 71.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.599 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.99 -52.26 66.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.624 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -57.88 -69.17 0.18 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.638 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 14.2 mt -42.65 -41.41 3.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.593 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.26 -42.51 99.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.691 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.4 mt -63.47 -37.94 89.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.576 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 14.9 mtp-105 -77.12 -48.4 17.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.594 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 17.8 ttm180 -59.75 -13.52 10.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.568 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 20.7 t -71.76 125.05 26.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.524 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.611 HD22 ' N ' ' A' ' 46' ' ' LEU . 3.5 mm? -71.7 -27.54 63.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.443 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -77.93 12.75 1.63 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.545 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 28.5 t -71.08 -54.23 11.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.57 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -81.33 147.08 59.36 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.324 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -69.0 178.74 3.81 Favored 'Trans proline' 0 N--CA 1.493 1.496 0 C-N-CA 122.429 2.086 . . . . 0.0 112.002 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 16.9 m -113.3 134.12 57.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.575 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 22.9 p -92.5 166.23 12.63 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.546 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 50.9 pttt -132.86 149.87 52.21 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.536 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.7 m120 54.83 46.84 23.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.649 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 17.7 p30 -87.25 38.35 0.81 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.63 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 64.49 4.63 13.71 Favored Glycine 0 CA--C 1.522 0.494 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.8 p 42.67 55.07 4.38 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.914 0.388 . . . . 0.0 110.749 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 64.1 mtm-85 -82.77 148.69 58.29 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.271 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -66.94 -179.04 1.51 Allowed 'Trans proline' 0 C--N 1.31 -1.45 0 C-N-CA 122.383 2.055 . . . . 0.0 111.992 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 72.1 tttt -152.11 115.67 4.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.567 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 8.4 ptp -91.55 122.42 34.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.534 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.413 HG23 ' H ' ' A' ' 62' ' ' THR . 0.2 OUTLIER -61.32 151.26 77.2 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.267 -179.95 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -64.92 -34.96 46.3 Favored 'Trans proline' 0 C--N 1.31 -1.489 0 C-N-CA 122.438 2.092 . . . . 0.0 111.78 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -63.14 -37.53 87.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.218 179.731 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 24.2 mm100 -66.25 -50.15 64.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.317 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 55.3 mtm -56.88 -43.58 81.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.376 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.7 -52.43 65.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.512 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 33.6 tptt -52.5 -48.86 65.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.499 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 57.7 mm-40 -58.3 -51.19 70.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.529 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 13.2 mmt -59.18 -60.92 3.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.56 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 21.7 p -46.23 -43.28 15.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.515 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 10.0 tm-20 -72.02 -27.04 62.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.545 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -79.31 -37.6 37.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.507 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 21.1 mt -71.36 -7.83 49.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.451 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 10.3 t -142.08 117.46 10.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.575 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 34.4 mtm-85 -137.08 -52.59 0.68 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.514 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -80.16 -69.21 1.41 Allowed Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.416 ' O ' ' OXT' ' A' ' 79' ' ' ALA . 58.0 Cg_endo -73.34 142.51 33.6 Favored 'Trans proline' 0 C--N 1.307 -1.653 0 C-N-CA 122.733 2.289 . . . . 0.0 112.075 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.416 ' OXT' ' O ' ' A' ' 78' ' ' PRO . . . . . . . . 0 C--O 1.221 -0.438 0 CA-C-O 118.009 -0.995 . . . . 0.0 110.508 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.443 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 53.0 tp60 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.731 0.3 . . . . 0.0 110.501 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 24.7 mm100 -42.93 -60.53 1.58 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.575 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.498 ' NE2' ' OE1' ' A' ' 12' ' ' GLU . 48.2 tp60 -47.05 -38.07 10.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.679 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.443 ' HB3' ' O ' ' A' ' 6' ' ' GLN . . . -66.12 -65.21 0.71 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.925 -179.705 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 5.0 p -60.3 -29.64 44.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.64 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' A' ' 11' ' ' LEU . 41.1 mt -65.69 -67.51 0.44 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.605 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.498 ' OE1' ' NE2' ' A' ' 8' ' ' GLN . 15.3 pt-20 -57.8 -33.53 68.68 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.664 -179.746 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 21.9 tp60 -70.83 -36.67 73.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.412 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -68.3 -57.68 5.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.512 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.497 ' CG ' ' N ' ' A' ' 16' ' ' ARG . 12.0 ptm180 -58.14 -45.36 87.5 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.324 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.497 ' N ' ' CG ' ' A' ' 15' ' ' ARG . 38.1 ttm180 -62.28 -52.05 65.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.307 179.654 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -48.14 -51.41 24.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.389 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 39.2 mtp180 -59.91 -52.81 63.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.53 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 81.1 mt-10 -45.54 -66.22 0.43 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.519 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.515 ' N ' HD12 ' A' ' 20' ' ' LEU . 8.7 mp -54.68 -62.96 1.32 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.307 179.804 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -40.08 -39.13 0.83 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.579 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.5 tp -67.23 -48.62 67.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.1 179.719 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 59.7 mtp180 -56.48 -57.03 14.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.142 179.599 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.455 ' O ' ' N ' ' A' ' 27' ' ' SER . 13.8 mt -50.48 -55.7 5.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.004 179.659 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -45.76 -46.99 15.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.249 179.65 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -69.77 -22.93 63.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.315 179.692 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 24' ' ' ILE . 5.4 t -73.22 -51.36 18.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.0 179.769 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -65.35 -38.33 89.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.844 179.428 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.7 -44.35 90.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.465 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -75.76 -24.88 56.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.37 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.4 tp 55.79 37.35 28.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.776 179.793 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.5 mm -97.65 -44.22 12.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.451 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.4 p -83.33 42.16 0.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.618 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -55.17 -21.83 15.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.416 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.402 ' CG ' ' N ' ' A' ' 36' ' ' ALA . 22.1 pt-20 -62.82 -40.74 98.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.507 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.402 ' N ' ' CG ' ' A' ' 35' ' ' GLU . . . -64.18 -52.08 60.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.545 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 95.7 mm-40 -54.75 -47.67 73.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.473 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.54 -58.3 8.9 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.535 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -46.99 -62.29 1.48 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.551 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.9 mt -47.71 -49.16 28.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.518 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -51.71 -52.6 47.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.607 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 22.7 mt -64.79 -23.74 67.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.534 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 9.7 tpt180 -75.35 -50.11 16.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.586 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -76.9 11.45 1.75 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.601 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 89.8 p -66.88 95.95 0.39 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.593 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.444 ' C ' ' H ' ' A' ' 48' ' ' SER . 4.8 tp -80.3 -22.72 41.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.44 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -76.97 19.68 0.29 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.546 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.444 ' H ' ' C ' ' A' ' 46' ' ' LEU . 26.0 t -39.82 -73.56 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.835 -179.8 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 11.2 p90 -68.08 148.95 98.33 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.517 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -71.3 179.97 4.09 Favored 'Trans proline' 0 C--N 1.309 -1.547 0 C-N-CA 122.521 2.147 . . . . 0.0 112.061 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.5 p -101.03 135.27 38.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.422 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 80.2 p -86.04 156.09 20.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.537 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 34.7 ttpt -133.21 127.36 33.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.561 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -158.26 40.73 0.26 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.554 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -145.91 -27.38 0.44 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.591 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 71.18 12.03 71.58 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -174.38 93.33 0.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.902 0.382 . . . . 0.0 110.534 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 53.8 mtp85 -69.4 149.86 97.17 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.353 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -69.18 178.05 4.58 Favored 'Trans proline' 0 C--N 1.309 -1.502 0 C-N-CA 122.519 2.146 . . . . 0.0 111.93 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.1 pttp -114.61 137.62 51.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.513 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.587 ' SD ' ' N ' ' A' ' 61' ' ' MET . 1.4 mpt? -85.61 127.45 34.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.542 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.4 p -75.65 148.99 83.19 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.233 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 82.3 Cg_exo -38.49 -35.5 0.47 Allowed 'Trans proline' 0 C--N 1.31 -1.477 0 C-N-CA 122.537 2.158 . . . . 0.0 112.237 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -68.25 -47.77 66.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.63 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -55.07 -62.04 1.92 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.693 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.593 ' SD ' ' N ' ' A' ' 67' ' ' ALA . 3.0 ppp? -57.99 -41.56 83.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.664 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.593 ' N ' ' SD ' ' A' ' 66' ' ' MET . . . -59.65 -60.33 4.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.886 0.374 . . . . 0.0 110.452 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 12.9 tptp -51.94 -42.11 62.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.408 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -61.51 -58.27 8.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.405 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 24.6 mtt -49.41 -47.7 47.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.505 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.3 t -62.51 -35.84 80.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.54 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -77.28 -30.95 54.52 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.671 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -79.79 -52.04 8.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.564 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 20.7 mt -66.83 -14.19 62.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.522 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 32.3 t -162.62 148.09 12.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.648 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -48.82 -85.62 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.519 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 72.47 71.73 1.04 Allowed Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_exo -48.0 102.19 0.05 OUTLIER 'Trans proline' 0 C--N 1.306 -1.682 0 C-N-CA 122.751 2.301 . . . . 0.0 112.185 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 118.005 -0.997 . . . . 0.0 110.56 -179.945 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.502 ' N ' ' CD ' ' A' ' 6' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.747 0.308 . . . . 0.0 110.496 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.493 ' N ' ' OE1' ' A' ' 6' ' ' GLN . 10.5 mm-40 -42.95 -60.33 1.66 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.374 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 29.9 tp60 -46.67 -36.12 6.73 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.61 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.465 ' HB3' ' O ' ' A' ' 6' ' ' GLN . . . -69.43 -67.02 0.51 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.878 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.1 p -57.07 -28.99 30.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.698 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 11' ' ' LEU . 55.6 mt -69.68 -67.16 0.5 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.601 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -57.71 -33.21 68.17 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.582 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 52.3 tp60 -66.51 -46.97 74.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.405 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -63.51 -60.05 3.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.398 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.8 mmp_? -48.82 -50.83 32.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.379 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 69.9 ttt-85 -58.14 -53.35 59.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.424 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -44.75 -52.29 8.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.599 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 20.5 mmt180 -59.98 -53.07 62.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.562 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -45.4 -65.47 0.53 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.548 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.493 ' N ' HD12 ' A' ' 20' ' ' LEU . 9.0 mp -51.86 -63.06 1.26 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.42 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -41.77 -41.27 2.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.699 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.4 tp -67.75 -41.01 84.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.53 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.406 ' N ' ' O ' ' A' ' 20' ' ' LEU . 68.6 mtp180 -62.48 -46.04 90.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.48 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 31.3 mt -64.81 -41.94 93.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.435 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.9 -46.34 75.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.539 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 77.2 mm-40 -69.98 -35.02 74.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.354 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 58.8 m -71.49 -57.43 4.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.586 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -58.9 -37.44 76.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.236 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.32 -38.79 78.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.214 179.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -79.05 -25.08 43.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.419 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.413 ' O ' ' OD1' ' A' ' 34' ' ' ASP . 3.9 tp . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.663 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 18.7 m . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.773 0.321 . . . . 0.0 110.446 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.413 ' OD1' ' O ' ' A' ' 31' ' ' LEU . 1.5 m-20 -71.82 -18.97 62.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.62 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.477 ' CD ' ' N ' ' A' ' 36' ' ' ALA . 2.2 pp20? -61.66 -38.57 88.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.569 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.477 ' N ' ' CD ' ' A' ' 35' ' ' GLU . . . -64.18 -50.57 67.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.479 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 77.9 mm-40 -56.61 -49.05 76.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.418 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.07 -48.68 75.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.441 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -58.32 -70.33 0.15 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.543 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 27.4 mt -44.82 -36.17 3.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.644 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.45 -37.41 82.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.605 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.5 mt -69.36 -43.51 73.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.575 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 40.1 mtp180 -73.78 -27.26 61.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.511 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 39.3 ttt-85 -78.31 -28.6 47.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.335 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 91.6 p -79.88 62.09 4.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.556 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.452 ' C ' ' H ' ' A' ' 48' ' ' SER . 5.7 tp -49.15 -28.56 4.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.608 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -75.82 21.56 0.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.607 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.452 ' H ' ' C ' ' A' ' 46' ' ' LEU . 14.9 t . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.617 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.469 ' O ' ' N ' ' A' ' 65' ' ' GLN . 1.6 p . . . . . 0 CA--C 1.529 0.173 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_exo -37.77 -39.34 0.79 Allowed 'Trans proline' 0 C--N 1.31 -1.483 0 C-N-CA 122.551 2.167 . . . . 0.0 112.084 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -64.5 -39.78 94.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.557 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.469 ' N ' ' O ' ' A' ' 62' ' ' THR . 26.5 mt-30 -64.94 -64.98 0.73 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.56 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 10.1 ptm -53.07 -35.06 59.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.558 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.8 -40.41 83.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.475 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 33.3 tptt -71.3 -34.89 71.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.489 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -67.7 -58.45 4.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.554 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.486 ' CG ' ' N ' ' A' ' 71' ' ' SER . 15.5 ptm -60.42 -45.45 93.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.415 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.486 ' N ' ' CG ' ' A' ' 70' ' ' MET . 39.9 t -57.54 -45.68 84.8 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.503 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 50.0 tt0 -71.17 -33.4 69.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.55 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 39.4 t80 -67.83 -64.84 0.78 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.512 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 28.0 mt . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.424 179.902 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.482 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 8.1 tt0 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.807 0.336 . . . . 0.0 110.48 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -48.35 -60.14 2.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.43 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -49.23 -34.4 14.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.554 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.482 ' HB3' ' O ' ' A' ' 6' ' ' GLN . . . -65.84 -65.96 0.61 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.65 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.478 HG13 ' N ' ' A' ' 11' ' ' LEU . 5.1 p -60.09 -45.55 95.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.636 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.478 ' N ' HG13 ' A' ' 10' ' ' VAL . 75.3 mt -53.18 -57.94 8.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.336 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 54.4 mm-40 -60.58 -37.16 80.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.535 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 46.6 tp60 -62.06 -41.05 97.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.503 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -68.42 -55.92 10.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.567 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 25.1 mmt180 -49.82 -50.84 43.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.568 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 30.3 ttm180 -64.47 -62.33 1.66 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.716 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -40.26 -46.91 2.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.798 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.1 mmp_? -63.88 -55.36 23.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.677 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.0 mm-40 -45.52 -59.84 2.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.532 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.512 ' N ' HD12 ' A' ' 20' ' ' LEU . 9.5 mp -56.65 -66.02 0.51 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.427 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -40.8 -35.3 0.48 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.633 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.415 ' C ' HE21 ' A' ' 26' ' ' GLN . 5.2 tp -68.39 -52.0 37.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.255 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 48.1 mtp85 -56.98 -58.5 7.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.134 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.405 HG21 HD13 ' A' ' 24' ' ' ILE . 12.3 mt -49.5 -56.09 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.924 179.72 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -47.12 -44.38 21.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.279 179.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.415 HE21 ' C ' ' A' ' 22' ' ' LEU . 34.0 mt-30 -68.87 -24.95 64.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.399 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 31' ' ' LEU . 9.1 t -74.23 -55.94 5.47 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.087 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -60.26 -38.04 82.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.005 179.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.14 -48.89 71.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.515 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -75.91 -25.7 56.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.574 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' A' ' 27' ' ' SER . 4.9 tp . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.632 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 33.3 p . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.857 0.36 . . . . 0.0 110.768 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.415 ' OD2' ' O ' ' A' ' 31' ' ' LEU . 44.8 m-20 -62.88 -26.34 68.73 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.309 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.449 ' CG ' ' N ' ' A' ' 36' ' ' ALA . 11.4 pt-20 -60.91 -45.62 93.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.347 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.449 ' N ' ' CG ' ' A' ' 35' ' ' GLU . . . -58.44 -59.35 5.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.222 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 -46.27 -54.7 8.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.248 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.38 -47.58 85.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.439 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.401 ' O ' ' N ' ' A' ' 43' ' ' ARG . 17.4 m-20 -54.67 -69.02 0.14 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.614 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.4 ' N ' HD12 ' A' ' 40' ' ' LEU . 10.8 mp -43.84 -50.46 7.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.389 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.38 -41.86 81.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.458 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 13.1 mt -77.91 -15.07 59.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.29 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.401 ' N ' ' O ' ' A' ' 39' ' ' ASP . 46.9 ttt85 -82.06 -50.37 9.16 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.535 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.545 ' O ' ' N ' ' A' ' 46' ' ' LEU . 7.4 ptt180 -64.84 -2.18 2.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.478 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.6 t -49.3 86.43 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.624 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.545 ' N ' ' O ' ' A' ' 44' ' ' ARG . 6.2 tp -78.74 -22.28 46.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.368 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 52.9 t0 -59.42 -1.73 0.25 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.609 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.491 ' H ' ' C ' ' A' ' 46' ' ' LEU . 11.4 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.642 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 7.2 p . . . . . 0 N--CA 1.463 0.182 0 N-CA-C 110.456 -0.201 . . . . 0.0 110.456 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_exo -38.99 -48.42 2.85 Favored 'Trans proline' 0 C--N 1.312 -1.381 0 C-N-CA 122.474 2.116 . . . . 0.0 112.131 179.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -55.66 -54.44 44.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.377 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -51.36 -54.03 30.44 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.349 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.496 ' O ' ' SD ' ' A' ' 70' ' ' MET . 67.6 mtp -52.26 -61.29 2.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.436 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -48.51 -56.81 7.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.53 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 12.8 tptm -55.55 -63.66 1.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.486 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -46.06 -57.32 4.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.581 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.591 ' N ' ' SD ' ' A' ' 70' ' ' MET . 0.0 OUTLIER -48.87 -47.41 42.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.418 179.9 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 16.5 t -59.16 -41.65 88.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.542 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 32.6 tp10 -67.59 -40.94 84.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.53 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -62.58 -57.18 12.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.483 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 41.0 mt . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.503 179.942 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.42 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 42.1 tt0 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.938 0.399 . . . . 0.0 110.377 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -45.01 -60.37 2.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.729 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -48.3 -37.17 15.72 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.836 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' A' ' 6' ' ' GLN . . . -66.45 -67.06 0.48 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.91 -179.661 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.478 HG13 ' N ' ' A' ' 11' ' ' LEU . 6.2 p -56.59 -43.79 79.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.563 -179.725 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.478 ' N ' HG13 ' A' ' 10' ' ' VAL . 84.4 mt -57.05 -67.56 0.31 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.386 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 58.8 mt-10 -46.2 -47.48 17.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.428 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.2 tm0? -58.23 -53.13 61.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.333 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 -55.05 -56.74 16.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.54 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 30.3 mtp180 -46.26 -51.14 15.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.382 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 65.0 ttt180 -55.19 -61.19 2.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.229 179.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -46.97 -47.03 21.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.308 179.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 53.0 mtp180 -61.2 -53.67 54.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.455 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 50.6 mm-40 -45.36 -56.89 4.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.49 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 11.0 mp -55.28 -62.94 1.34 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.318 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -49.96 -34.78 21.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.667 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.422 ' C ' HE21 ' A' ' 26' ' ' GLN . 5.5 tp -69.91 -40.09 75.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.653 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 26.1 mtp180 -66.92 -46.18 75.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.504 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.441 ' O ' ' CG ' ' A' ' 28' ' ' GLU . 28.6 mt -71.03 -29.76 38.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.539 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.11 -51.56 13.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.743 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.422 HE21 ' C ' ' A' ' 22' ' ' LEU . 4.0 pt20 -68.12 -32.73 73.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.437 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 45.7 t -73.98 -54.29 8.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.729 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.441 ' CG ' ' O ' ' A' ' 24' ' ' ILE . 1.3 pp20? -64.63 -28.45 69.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.562 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -77.18 -43.43 33.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.674 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -83.35 -25.36 31.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.535 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.0 tp . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.82 179.8 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.1 m . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.779 0.323 . . . . 0.0 110.482 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -45.08 -25.04 0.29 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.425 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -58.85 -50.09 75.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.457 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.21 -60.68 3.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.538 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -47.32 -43.46 22.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.606 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.47 -44.86 89.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.687 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -57.73 -62.85 1.5 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.622 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.537 ' N ' HD12 ' A' ' 40' ' ' LEU . 8.8 mp -54.36 -41.33 69.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.597 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.33 -58.72 7.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.61 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 15.1 mt -61.77 -37.23 83.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.511 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 44.8 ttt85 -71.01 -31.76 68.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.504 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.415 ' HB2' HH11 ' A' ' 44' ' ' ARG . 14.5 ttp-105 -77.79 -38.08 47.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.357 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 46.6 m -88.87 98.64 11.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.662 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.586 HD22 ' N ' ' A' ' 46' ' ' LEU . 3.6 mm? -71.82 -34.69 69.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.285 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -79.61 21.55 0.51 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.569 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 46.1 t . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.68 179.976 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.539 ' OG1' ' NE2' ' A' ' 65' ' ' GLN . 3.6 p . . . . . 0 CA--C 1.53 0.204 0 N-CA-C 110.406 -0.22 . . . . 0.0 110.406 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.413 ' O ' ' CB ' ' A' ' 67' ' ' ALA . 82.5 Cg_exo -38.17 -46.85 2.27 Favored 'Trans proline' 0 C--N 1.311 -1.408 0 C-N-CA 122.671 2.247 . . . . 0.0 112.324 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 61.4 tt0 -54.07 -48.64 70.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.722 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.826 HE21 ' H ' ' A' ' 65' ' ' GLN . 0.3 OUTLIER -59.68 -65.96 0.59 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.53 -179.811 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 12.2 ptm -53.79 -39.26 65.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.636 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.413 ' CB ' ' O ' ' A' ' 63' ' ' PRO . . . -65.52 -59.72 3.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.473 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.8 mmmm -55.98 -55.24 35.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.582 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -49.56 -57.83 6.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.554 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 12.3 mmt -54.8 -58.17 8.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.586 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.5 t -48.2 -54.42 13.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.525 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -60.14 -45.67 92.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.736 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -60.67 -62.75 1.63 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.617 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 29.5 mt . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.665 -179.883 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.461 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 10.0 tt0 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.83 0.348 . . . . 0.0 110.618 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -43.45 -60.5 1.7 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.425 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -46.68 -36.27 6.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.686 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' A' ' 6' ' ' GLN . . . -68.34 -65.9 0.64 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.741 -179.767 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.0 p -59.14 -30.18 43.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.662 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 42.9 mt -65.67 -60.03 3.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.366 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -58.98 -38.52 79.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.486 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 61.2 tp60 -62.62 -42.86 99.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.524 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 46.3 mm-40 -66.27 -49.52 66.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.532 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 67.0 mtp180 -53.63 -49.79 67.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.52 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 88.5 mtt180 -62.15 -61.14 2.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.606 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -40.88 -51.0 3.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.714 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 80.9 mtt180 -63.65 -51.15 66.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.532 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.5 mm-40 -55.76 -62.71 1.51 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.487 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.486 ' O ' ' N ' ' A' ' 23' ' ' ARG . 10.7 mp -51.1 -64.37 0.83 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.426 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -41.49 -42.52 2.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.548 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.1 tp -68.17 -35.93 78.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.392 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.486 ' N ' ' O ' ' A' ' 20' ' ' LEU . 37.3 mtp180 -72.77 -41.85 64.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.523 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.43 ' O ' ' CG ' ' A' ' 28' ' ' GLU . 54.8 mt -70.7 -30.3 41.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.676 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.87 -52.9 9.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.687 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -65.2 -33.26 75.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.454 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 31' ' ' LEU . 46.2 t -74.05 -58.71 3.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.617 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.43 ' CG ' ' O ' ' A' ' 24' ' ' ILE . 1.2 pp20? -59.71 -27.48 66.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.607 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -78.49 -44.04 25.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.604 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -80.84 -21.11 41.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.652 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.422 ' N ' ' O ' ' A' ' 27' ' ' SER . 4.9 mt . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.58 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.403 ' OG ' ' OG ' ' A' ' 27' ' ' SER . 89.5 p . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.786 0.327 . . . . 0.0 110.499 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -73.84 -28.24 61.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.594 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.4 ' CG ' ' N ' ' A' ' 36' ' ' ALA . 22.9 pt-20 -59.51 -41.37 89.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.545 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.4 ' N ' ' CG ' ' A' ' 35' ' ' GLU . . . -61.21 -54.31 45.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.507 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 17.6 mm-40 -54.11 -43.76 70.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.529 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.6 -44.4 97.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.57 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.486 ' O ' ' N ' ' A' ' 43' ' ' ARG . 4.1 m-20 -64.73 -50.7 65.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.618 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 22.5 mt -59.5 -31.91 69.79 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.312 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -73.0 -40.06 65.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.01 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.2 pp -89.04 -19.7 25.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.781 0.324 . . . . 0.0 110.627 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.486 ' N ' ' O ' ' A' ' 39' ' ' ASP . 44.0 ttm180 -81.6 -42.45 20.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.644 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 4.8 ppt_? -59.74 -13.09 8.67 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.592 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 13.6 t -81.28 121.6 26.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.559 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.484 ' C ' ' H ' ' A' ' 48' ' ' SER . 5.6 tp -82.42 -39.17 22.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.616 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.526 ' OD1' ' N ' ' A' ' 47' ' ' ASP . 18.5 p-10 -72.0 14.25 0.23 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.672 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.484 ' H ' ' C ' ' A' ' 46' ' ' LEU . 35.1 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.665 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.0 p . . . . . 0 CA--C 1.53 0.189 0 N-CA-C 110.328 -0.249 . . . . 0.0 110.328 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_exo -38.42 -40.51 1.29 Allowed 'Trans proline' 0 C--N 1.311 -1.434 0 C-N-CA 122.516 2.144 . . . . 0.0 112.23 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -62.94 -44.72 95.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.598 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -58.35 -67.12 0.38 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.546 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 15.0 ptm -51.55 -39.06 57.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.576 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.57 -57.68 11.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.532 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 48.1 tttp -58.03 -48.09 81.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.572 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -50.67 -50.81 53.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.514 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 12.7 mmt -60.01 -62.34 1.94 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.45 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.6 m -47.31 -30.05 2.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.534 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 67.6 tt0 -77.68 -41.86 36.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.611 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -72.0 -53.22 13.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.525 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 35.4 mt . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.531 179.992 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.457 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 10.4 tt0 . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.777 0.322 . . . . 0.0 110.393 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 17.0 mm-40 -42.89 -60.3 1.65 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.466 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.408 HE21 ' HA ' ' A' ' 8' ' ' GLN . 5.2 mm-40 -46.54 -36.81 7.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.595 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.457 ' HB3' ' O ' ' A' ' 6' ' ' GLN . . . -68.44 -65.28 0.72 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.944 -179.78 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.9 p -59.28 -28.94 40.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.593 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 11' ' ' LEU . 52.0 mt -69.28 -69.19 0.35 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.512 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -55.33 -31.11 61.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.488 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 15.8 tp60 -67.29 -47.64 70.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.387 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -63.82 -45.95 87.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.409 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 50.6 mtp180 -57.74 -51.76 68.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.392 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 86.3 mtt-85 -63.21 -59.51 4.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.448 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -41.07 -52.9 3.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.689 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 73.7 mtp180 -59.32 -51.38 70.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.559 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -57.46 -64.53 0.86 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.554 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.497 ' N ' HD12 ' A' ' 20' ' ' LEU . 8.9 mp -51.95 -61.03 2.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.501 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -44.42 -39.86 5.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.56 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.6 tt -70.98 -35.5 72.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.525 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 19.9 mtp180 -68.55 -43.98 75.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.493 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 39.4 mt -70.1 -38.21 74.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.508 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.95 -48.64 75.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.536 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 72.4 mm-40 -68.15 -36.69 80.08 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.386 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.408 ' O ' ' N ' ' A' ' 31' ' ' LEU . 70.6 m -70.66 -58.08 4.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.761 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -58.37 -35.47 72.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.309 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.88 -37.08 70.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.278 179.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -81.55 -25.16 36.08 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.576 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.408 ' N ' ' O ' ' A' ' 27' ' ' SER . 3.2 mt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.412 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 52.5 m . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.776 0.322 . . . . 0.0 110.578 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -68.14 -23.87 64.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.481 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -58.07 -42.09 84.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.532 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.56 -47.19 82.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.42 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 90.1 mm-40 -55.53 -51.54 66.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.532 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.74 -41.47 91.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.616 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -60.86 -66.71 0.49 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.662 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 32.1 mt -47.81 -40.33 20.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.512 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.45 -47.85 84.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.609 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 17.5 mt -67.17 -34.43 77.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.548 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 54.1 ttt180 -76.36 -34.98 58.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.569 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 20.1 ttp85 -80.82 -16.5 53.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.307 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.0 t -64.53 150.53 46.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.599 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.584 HD22 ' N ' ' A' ' 46' ' ' LEU . 3.6 mm? -68.19 -14.17 62.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.386 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -70.34 -26.86 63.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.632 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 90.2 p . . . . . 0 C--N 1.331 -0.213 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.562 179.966 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 25.6 p . . . . . 0 CA--C 1.529 0.159 0 N-CA-C 110.482 -0.192 . . . . 0.0 110.482 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.461 ' O ' ' HB2' ' A' ' 67' ' ' ALA . 81.5 Cg_exo -39.1 -40.11 1.6 Allowed 'Trans proline' 0 C--N 1.31 -1.478 0 C-N-CA 122.566 2.177 . . . . 0.0 112.273 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 65.5 tt0 -63.9 -42.39 97.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.693 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -60.88 -67.8 0.37 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.611 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.581 ' SD ' ' N ' ' A' ' 67' ' ' ALA . 0.0 OUTLIER -53.05 -35.7 59.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.708 -179.812 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.581 ' N ' ' SD ' ' A' ' 66' ' ' MET . . . -59.93 -57.89 10.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.547 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 54.8 tttm -59.69 -51.42 69.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.568 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -47.96 -49.48 30.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.578 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 28.5 mmt -60.39 -57.63 11.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.524 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 39.0 m -53.98 -26.73 27.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.569 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 49.3 mm-40 -83.55 -37.21 23.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.519 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -75.98 -53.26 8.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.572 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 23.4 mt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.495 -179.949 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.465 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 3.0 pt20 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.796 0.331 . . . . 0.0 110.551 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -50.49 -60.03 3.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.526 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -48.99 -34.39 12.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.658 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.465 ' HB3' ' O ' ' A' ' 6' ' ' GLN . . . -66.31 -66.69 0.52 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.783 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.497 HG13 ' N ' ' A' ' 11' ' ' LEU . 6.9 p -59.54 -44.36 92.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.645 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.497 ' N ' HG13 ' A' ' 10' ' ' VAL . 77.0 mt -54.87 -59.77 4.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.428 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -55.57 -46.09 77.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.508 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 38.7 tp60 -56.56 -43.81 80.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.494 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -65.13 -53.14 49.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.466 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 26.8 mmm-85 -50.8 -50.77 55.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.456 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 53.9 ttm-85 -61.69 -61.12 2.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.567 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -43.93 -45.51 7.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.477 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 17.1 mtp-105 -62.19 -53.01 61.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.505 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -49.43 -63.74 1.01 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.498 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.512 ' N ' HD12 ' A' ' 20' ' ' LEU . 9.1 mp -51.53 -64.03 0.94 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.379 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -42.06 -39.43 1.95 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.692 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.1 tp -66.78 -41.36 87.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.359 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.421 ' N ' ' O ' ' A' ' 20' ' ' LEU . 43.5 mtp85 -64.85 -44.02 91.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.365 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 45.7 mt -65.36 -38.06 81.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.458 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.74 -51.59 64.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.542 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 -64.75 -32.44 74.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.427 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 9.3 t -74.62 -59.65 2.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.695 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -59.16 -26.01 64.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.569 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -81.7 -40.35 22.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.586 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -78.15 -24.9 47.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.684 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.6 mt . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.355 -179.999 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.0 m . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.787 0.327 . . . . 0.0 110.539 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -45.61 -26.07 0.55 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.578 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -58.95 -36.94 75.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.563 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.9 -52.51 49.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.539 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 70.1 mm-40 -57.63 -50.56 72.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.575 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.35 -50.92 68.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.491 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -57.73 -59.0 5.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.583 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 17.4 mt -49.3 -43.36 43.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.517 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' A' ' 45' ' ' SER . . . -66.91 -53.61 30.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.561 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.7 mt -55.29 -33.06 62.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.59 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 60.1 ttt-85 -80.74 -40.29 25.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.506 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.437 ' O ' ' O ' ' A' ' 45' ' ' SER . 16.9 ttp85 -79.27 -15.66 57.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.326 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.479 ' N ' ' O ' ' A' ' 41' ' ' ALA . 60.2 m -54.05 -166.38 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.634 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.526 HD22 ' N ' ' A' ' 46' ' ' LEU . 3.8 mm? -57.24 -12.67 2.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.471 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -77.72 21.37 0.3 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.606 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.417 ' H ' ' C ' ' A' ' 46' ' ' LEU . 24.8 t . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.602 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.424 ' O ' ' N ' ' A' ' 65' ' ' GLN . 1.4 p . . . . . 0 CA--C 1.53 0.195 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -38.55 -37.22 0.7 Allowed 'Trans proline' 0 C--N 1.311 -1.41 0 C-N-CA 122.44 2.094 . . . . 0.0 112.206 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 60.1 tt0 -66.62 -40.43 88.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.571 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.424 ' N ' ' O ' ' A' ' 62' ' ' THR . 14.5 mm100 -56.26 -58.4 8.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.574 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 37.8 mtm -61.65 -53.78 51.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.611 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -49.74 -53.99 21.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.587 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 49.7 tttm -54.04 -51.82 62.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.549 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 88.4 mt-10 -55.35 -51.07 67.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.517 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 24.7 mtt -54.66 -63.31 1.19 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.574 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 31.4 m -52.99 -44.48 67.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.617 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.413 ' O ' ' OE2' ' A' ' 72' ' ' GLU . 5.0 tm-20 -60.52 -33.0 72.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.565 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -80.88 -53.43 6.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.543 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 34.6 mt . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.61 179.995 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.429 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 46.8 tt0 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.726 0.298 . . . . 0.0 110.615 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -49.2 -60.34 2.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.642 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -50.47 -34.45 24.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.658 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.429 ' HB3' ' O ' ' A' ' 6' ' ' GLN . . . -67.03 -67.11 0.48 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.794 -179.724 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.501 HG13 ' N ' ' A' ' 11' ' ' LEU . 7.2 p -58.53 -43.27 86.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.815 -179.664 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.501 ' N ' HG13 ' A' ' 10' ' ' VAL . 84.1 mt -57.26 -58.88 6.3 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.394 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 -53.7 -48.74 69.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.41 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 53.5 tp60 -51.81 -43.07 62.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.392 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -65.78 -47.56 74.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.567 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 60.0 mtt-85 -50.99 -55.89 15.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.435 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 64.5 mtp85 -61.08 -57.61 11.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.518 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -40.51 -47.37 2.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.689 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -68.04 -53.08 28.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.534 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -54.57 -58.78 6.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.627 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.463 ' N ' HD12 ' A' ' 20' ' ' LEU . 9.8 mp -56.44 -61.05 2.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.486 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -43.61 -38.51 3.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.613 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 17.7 tp -68.81 -44.02 74.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.309 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 33.9 mtp85 -59.54 -54.01 51.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.385 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 16.0 mt -58.46 -46.21 89.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.499 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.43 -58.34 7.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.893 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.37 -23.05 66.88 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.111 -179.446 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 18.8 t -67.79 -61.13 2.02 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.908 0.385 . . . . 0.0 110.056 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -60.7 -39.84 89.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.981 179.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.75 -38.24 87.24 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.71 -179.542 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -85.26 -19.19 31.98 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.8 mt . . . . . 0 C--N 1.328 -0.345 0 CA-C-O 121.025 0.441 . . . . 0.0 110.045 -179.715 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.528 0.124 0 CA-C-O 120.935 0.398 . . . . 0.0 111.466 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -45.96 -38.22 7.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.656 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -47.19 -51.43 18.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.629 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.11 -53.99 45.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.616 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 81.9 mm-40 -52.39 -43.29 64.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.589 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.47 -51.22 69.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.603 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -54.59 -59.76 4.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.581 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 32.6 mt -52.0 -41.25 62.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.554 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.95 -58.74 7.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.596 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 17.5 mt -52.18 -37.74 55.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.51 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 63.1 ttt180 -70.51 -48.13 57.1 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.575 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 31.3 ttm-85 -59.88 -16.18 27.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.733 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 11.8 t -71.46 124.97 25.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.7 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.481 ' C ' ' H ' ' A' ' 48' ' ' SER . 7.2 tp -67.36 -33.11 74.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.498 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -72.33 14.77 0.21 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.595 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.481 ' H ' ' C ' ' A' ' 46' ' ' LEU . 7.7 t . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.543 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 12.9 p . . . . . 0 CA--C 1.529 0.16 0 N-CA-C 110.431 -0.211 . . . . 0.0 110.431 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -38.84 -44.54 2.4 Favored 'Trans proline' 0 C--N 1.31 -1.496 0 C-N-CA 122.666 2.244 . . . . 0.0 112.292 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.515 ' OE2' ' NZ ' ' A' ' 68' ' ' LYS . 3.9 tp10 -59.66 -48.72 80.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.717 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -55.39 -67.65 0.26 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.717 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.577 ' SD ' ' N ' ' A' ' 67' ' ' ALA . 3.2 ppp? -52.54 -30.22 29.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.79 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.577 ' N ' ' SD ' ' A' ' 66' ' ' MET . . . -72.96 -49.59 28.39 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.637 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.515 ' NZ ' ' OE2' ' A' ' 64' ' ' GLU . 47.4 mttp -67.29 -33.0 74.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.406 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 57.9 mm-40 -70.07 -59.01 3.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.757 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.469 ' CG ' ' N ' ' A' ' 71' ' ' SER . 9.3 ptt? -61.06 -42.49 98.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.651 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.469 ' N ' ' CG ' ' A' ' 70' ' ' MET . 70.0 m -60.74 -52.94 62.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.668 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -61.82 -31.63 71.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.674 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -76.58 -45.94 28.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.688 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 16.7 mt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.648 -179.967 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 30.5 tp60 . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.872 0.368 . . . . 0.0 110.454 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 19.4 mm-40 -63.08 -60.47 3.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.472 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.422 ' O ' ' OE1' ' A' ' 12' ' ' GLU . 10.6 tp60 -50.15 -32.09 15.23 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.671 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.18 -63.51 1.05 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.066 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.7 p -64.16 -30.54 50.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.726 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 11' ' ' LEU . 65.5 mt -67.82 -64.62 0.82 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.544 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.422 ' OE1' ' O ' ' A' ' 8' ' ' GLN . 7.8 pt-20 -56.22 -38.76 71.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.803 0.335 . . . . 0.0 110.589 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.41 ' N ' ' CG ' ' A' ' 12' ' ' GLU . 35.4 tp60 -61.48 -46.56 89.52 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.387 179.765 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 42.4 mm-40 -62.07 -52.93 61.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.286 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 37.5 mtp180 -50.84 -45.89 59.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.372 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 33.4 ttm180 -62.56 -58.67 6.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.475 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -42.37 -44.89 4.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.546 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 85.6 mtt180 -64.6 -51.72 61.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.396 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -47.26 -59.15 3.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.402 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.519 ' N ' HD12 ' A' ' 20' ' ' LEU . 8.6 mp -55.7 -62.77 1.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.225 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -40.61 -38.94 0.95 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.58 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.6 tp -67.02 -48.14 69.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.074 179.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 29.3 mtp180 -57.69 -57.46 12.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.012 179.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.498 ' O ' ' N ' ' A' ' 27' ' ' SER . 14.1 mt -49.26 -55.62 3.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.812 179.688 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -45.38 -49.94 12.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.011 179.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 62.1 mt-30 -66.52 -21.76 66.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.162 179.475 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.498 ' N ' ' O ' ' A' ' 24' ' ' ILE . 4.0 t -76.2 -48.81 19.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.129 179.791 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -69.26 -28.06 65.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.028 179.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -79.33 -38.15 35.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.791 -179.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -80.06 -25.15 40.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.885 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.1 mt . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.394 -179.849 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 35' ' ' GLU . 5.4 m . . . . . 0 C--O 1.233 0.203 0 CA-C-O 120.77 0.319 . . . . 0.0 110.509 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -45.05 -19.79 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.573 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 33' ' ' SER . 68.1 tt0 -61.22 -46.55 89.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.536 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.49 -50.11 74.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.531 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 81.0 mm-40 -54.49 -47.01 73.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.559 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.61 -57.82 11.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.356 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.414 ' OD1' ' O ' ' A' ' 35' ' ' GLU . 1.8 m-20 -48.16 -53.75 15.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.506 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.7 mt -55.56 -44.16 76.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.449 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.61 -51.3 70.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.606 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 33.7 mt -65.85 -39.04 90.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.537 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 45.0 ttm-85 -70.74 -24.92 62.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.477 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 45.0 ttt180 -80.02 -26.43 39.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.396 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 20.8 t -71.92 99.62 2.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.489 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.486 ' C ' ' H ' ' A' ' 48' ' ' SER . 5.5 tp -69.9 -24.95 63.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.509 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -74.76 24.83 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.586 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.486 ' H ' ' C ' ' A' ' 46' ' ' LEU . 8.4 t . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.585 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.9 p . . . . . 0 C--O 1.232 0.133 0 N-CA-C 110.283 -0.266 . . . . 0.0 110.283 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_exo -37.35 -40.1 0.71 Allowed 'Trans proline' 0 C--N 1.31 -1.451 0 C-N-CA 122.623 2.215 . . . . 0.0 112.35 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -66.97 -44.32 80.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.651 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -59.19 -64.4 0.95 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.733 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.598 ' SD ' ' N ' ' A' ' 67' ' ' ALA . 3.3 ppp? -54.77 -41.3 70.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.661 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.598 ' N ' ' SD ' ' A' ' 66' ' ' MET . . . -59.97 -46.2 90.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.529 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -63.85 -40.5 96.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.547 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -61.13 -54.8 39.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.541 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 67.6 mtp -56.11 -51.56 67.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.556 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 59.5 p -60.6 -37.24 80.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.591 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -73.54 -29.53 62.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.637 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 48.5 t80 -80.28 -65.57 0.99 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.696 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 38.2 mt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.496 -179.928 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.493 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 2.0 pm0 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.845 0.355 . . . . 0.0 110.567 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 21.2 mm100 -42.94 -60.44 1.61 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.621 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.7 mm-40 -49.79 -33.04 15.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.701 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.493 ' HB3' ' O ' ' A' ' 6' ' ' GLN . . . -69.7 -60.7 2.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.958 -179.703 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.5 p -65.99 -29.32 46.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.735 -179.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.409 ' HA ' HD23 ' A' ' 11' ' ' LEU . 59.8 mt -69.52 -62.38 1.4 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.699 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -59.86 -38.28 81.69 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.669 -179.692 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 72.2 tp60 -64.46 -44.49 90.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.576 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -62.42 -52.06 65.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.582 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 15.4 mmm180 -56.85 -46.52 81.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.509 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 56.9 mtt-85 -67.46 -33.65 75.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.454 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -61.62 -60.64 3.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.764 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.4 ptp180 -61.11 -45.97 92.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.702 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -50.56 -63.3 1.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.427 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 8.9 mp -55.52 -59.03 5.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.314 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -45.81 -35.7 4.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.457 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.9 tp -73.8 -42.08 61.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.396 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 29.8 mtp85 -60.52 -47.18 87.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.465 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 19.0 mt -70.87 -39.94 75.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.506 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.58 -45.88 81.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.577 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 77.8 mm-40 -68.78 -36.86 78.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.54 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 31' ' ' LEU . 70.5 m -71.14 -57.3 4.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.734 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -58.72 -36.79 74.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.343 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.19 -38.98 75.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.142 179.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -79.56 -25.04 41.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.324 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' A' ' 27' ' ' SER . 3.4 tp . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.554 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.528 0.118 0 CA-C-O 120.788 0.327 . . . . 0.0 111.385 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -45.65 -27.83 0.87 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.637 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -55.46 -44.76 76.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.518 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.86 -46.67 89.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.555 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -56.45 -62.78 1.49 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.46 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -52.01 -47.72 64.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.599 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 52.1 t0 -54.04 -64.31 0.87 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.651 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 15.1 mt -46.18 -50.23 15.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.534 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.11 -44.66 87.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.558 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 17.7 mt -61.92 -33.6 74.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.493 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 44.9 ttt85 -78.64 -33.46 47.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.537 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 11.8 ttt180 -80.25 7.45 9.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.498 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.453 ' C ' ' N ' ' A' ' 47' ' ' ASP . 88.2 p -65.17 -20.13 66.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.936 -179.719 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.407 HD22 ' N ' ' A' ' 46' ' ' LEU . 4.2 mm? -52.54 -9.67 0.12 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.311 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.453 ' N ' ' C ' ' A' ' 45' ' ' SER . 31.5 p30 -78.26 2.8 17.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.494 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 87.8 p . . . . . 0 C--N 1.331 -0.223 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.546 -179.949 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 16.6 p . . . . . 0 CA--C 1.529 0.14 0 N-CA-C 110.346 -0.242 . . . . 0.0 110.346 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_exo -37.81 -40.97 1.06 Allowed 'Trans proline' 0 C--N 1.31 -1.494 0 C-N-CA 122.541 2.16 . . . . 0.0 112.223 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -67.24 -45.32 77.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.743 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -60.44 -62.84 1.57 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.621 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 18.9 ptm -54.18 -43.97 71.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.504 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -56.58 -47.48 79.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.49 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.413 ' NZ ' ' CB ' ' A' ' 68' ' ' LYS . 9.7 mtpm? -66.83 -60.13 2.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.516 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.407 ' O ' ' N ' ' A' ' 73' ' ' PHE . 88.4 mt-10 -47.09 -49.74 21.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.489 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 28.8 mtt -57.52 -61.24 2.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.51 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 40.8 m -54.84 -31.52 59.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.511 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -80.32 -30.64 38.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.575 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.407 ' N ' ' O ' ' A' ' 69' ' ' GLU . 33.9 t80 -78.54 -48.81 14.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.544 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 19.2 mt . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.47 179.986 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.433 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 17.3 pt20 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.808 0.337 . . . . 0.0 110.698 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.412 HE21 HD11 ' A' ' 11' ' ' LEU . 7.8 mt-30 -50.84 -60.28 3.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.537 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.2 mm-40 -48.34 -35.52 12.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.686 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' A' ' 6' ' ' GLN . . . -66.0 -67.1 0.47 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.791 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.514 HG13 ' N ' ' A' ' 11' ' ' LEU . 6.4 p -58.7 -46.51 90.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.563 -179.766 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.514 ' N ' HG13 ' A' ' 10' ' ' VAL . 83.5 mt -52.44 -59.32 4.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.804 0.335 . . . . 0.0 110.311 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 51.8 mm-40 -54.62 -47.33 73.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.527 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 29.4 tp60 -54.38 -44.01 71.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.417 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -62.94 -42.55 99.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.185 179.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 18.2 mmm-85 -57.09 -43.72 82.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.213 179.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 23.6 mmt180 -66.54 -63.72 1.01 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.462 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -41.4 -43.64 2.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.879 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.6 mmp_? -68.11 -48.21 66.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.774 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -60.31 -49.77 76.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.885 0.374 . . . . 0.0 110.361 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.6 mt -57.59 -62.51 1.74 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.416 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -47.92 -37.28 13.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.568 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.5 tp -68.29 -38.17 81.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.52 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 39.8 mtp180 -66.42 -47.79 72.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.503 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 37.5 mt -64.59 -38.42 82.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.541 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.3 -45.73 86.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.584 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -69.72 -31.56 69.64 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.382 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 9.3 t -74.16 -54.63 7.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.576 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -64.08 -31.65 72.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.455 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -74.15 -43.34 57.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.599 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -75.96 -24.88 55.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.516 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.2 tp . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.836 179.741 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.6 m . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.768 0.318 . . . . 0.0 110.536 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -55.55 -37.78 68.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.595 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -44.92 -42.4 8.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.571 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.07 -45.96 89.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.556 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -58.42 -45.94 87.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.593 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.12 -54.26 47.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.488 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -53.31 -64.86 0.68 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.608 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 12.6 mt -44.58 -50.44 9.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.572 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.35 -41.9 80.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.344 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 15.1 mt -69.21 -21.34 63.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.373 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 34.2 ttm180 -79.86 -57.8 3.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.425 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.1 ptp85 -64.2 -18.46 64.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.662 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 25.9 t -43.81 148.61 0.36 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.72 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.523 ' C ' ' H ' ' A' ' 48' ' ' SER . 4.1 tp -70.27 -15.91 62.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.555 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 50.3 p-10 -71.07 18.89 0.06 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.711 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.523 ' H ' ' C ' ' A' ' 46' ' ' LEU . 35.4 t . . . . . 0 C--N 1.332 -0.188 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.44 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.2 p . . . . . 0 CA--C 1.531 0.244 0 N-CA-C 110.601 -0.148 . . . . 0.0 110.601 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_exo -41.87 -37.34 4.09 Favored 'Trans proline' 0 N--CA 1.491 1.347 0 C-N-CA 122.349 2.032 . . . . 0.0 112.205 179.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 48.7 tt0 -59.1 -56.77 17.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.57 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -52.41 -62.89 1.35 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.567 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 37.7 mtm -47.49 -50.07 24.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.489 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -52.26 -55.24 22.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.517 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.4 mtpm? -62.71 -57.96 9.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.552 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -44.97 -47.79 11.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.471 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 33.3 mtt -61.41 -54.71 39.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.466 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 24.2 p -50.22 -42.62 51.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.643 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -73.67 -30.3 62.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.526 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 62.3 t80 -75.33 -60.99 2.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.608 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 34.0 mt . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.401 179.947 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.457 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 12.3 pt20 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.831 0.348 . . . . 0.0 110.456 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -45.94 -59.99 2.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.543 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -49.19 -35.34 16.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.687 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.457 ' HB3' ' O ' ' A' ' 6' ' ' GLN . . . -66.77 -66.92 0.49 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.481 HG13 ' N ' ' A' ' 11' ' ' LEU . 6.1 p -57.87 -45.1 87.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.687 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.481 ' N ' HG13 ' A' ' 10' ' ' VAL . 78.9 mt -54.92 -56.36 20.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.35 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -56.21 -47.16 78.94 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.532 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 49.3 tp60 -53.66 -41.29 66.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.511 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -67.02 -51.95 48.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.441 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 10.5 mmm180 -49.66 -57.09 7.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.43 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 56.9 ttt180 -60.71 -55.44 33.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.522 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -43.92 -46.61 8.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.706 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 -64.53 -52.96 55.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.647 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -47.08 -63.3 1.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.584 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.542 ' N ' HD12 ' A' ' 20' ' ' LEU . 8.5 mp -55.76 -62.79 1.46 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.427 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -41.69 -40.81 2.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.574 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.4 tp -67.25 -41.84 84.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.353 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.415 ' N ' ' O ' ' A' ' 20' ' ' LEU . 31.8 mtp85 -62.53 -46.28 89.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.43 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 32.6 mt -64.32 -38.78 83.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.409 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.5 -53.46 54.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.612 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -62.75 -32.03 73.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.499 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 16.5 t -74.26 -58.17 3.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.691 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.517 ' O ' ' CD2' ' A' ' 31' ' ' LEU . 1.5 pp20? -62.88 -20.82 65.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.672 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -87.74 -36.34 17.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.922 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -91.75 -20.42 21.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.053 -179.619 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.517 ' CD2' ' O ' ' A' ' 28' ' ' GLU . 3.0 mm? . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.635 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 58.1 m . . . . . 0 CA--C 1.527 0.066 0 CA-C-O 120.782 0.325 . . . . 0.0 110.491 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -59.31 -27.11 65.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.628 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.43 ' CG ' ' N ' ' A' ' 36' ' ' ALA . 14.9 pt-20 -58.06 -42.9 86.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.493 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.43 ' N ' ' CG ' ' A' ' 35' ' ' GLU . . . -63.11 -60.6 3.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.465 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 90.1 mm-40 -48.66 -50.24 33.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.51 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -53.98 -65.49 0.56 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.437 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.428 ' O ' ' N ' ' A' ' 43' ' ' ARG . 26.6 t70 -45.73 -51.74 12.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.54 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 20.2 mt -55.78 -40.28 72.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.428 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.13 -52.94 29.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.714 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 40.3 mt -68.61 -20.76 64.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.502 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.428 ' N ' ' O ' ' A' ' 39' ' ' ASP . 63.1 ttt180 -82.44 -52.96 6.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.567 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 28.3 ptt85 -67.98 -5.15 15.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.533 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.9 p -43.5 130.65 5.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.485 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.444 HD13 ' O ' ' A' ' 46' ' ' LEU . 0.1 OUTLIER -59.41 -43.66 92.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.373 -179.759 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -61.84 -30.51 70.89 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.283 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 27.9 t . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.116 179.83 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.494 ' O ' ' N ' ' A' ' 65' ' ' GLN . 1.4 p . . . . . 0 CA--C 1.53 0.183 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.4 ' O ' ' HB2' ' A' ' 67' ' ' ALA . 85.1 Cg_exo -37.98 -37.84 0.65 Allowed 'Trans proline' 0 C--N 1.311 -1.419 0 C-N-CA 122.495 2.13 . . . . 0.0 112.185 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 75.9 tt0 -67.66 -36.13 80.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.408 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.494 ' N ' ' O ' ' A' ' 62' ' ' THR . 21.1 mm100 -63.92 -65.98 0.61 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.562 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 2.4 ptp -55.89 -39.71 71.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.492 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.4 ' HB2' ' O ' ' A' ' 63' ' ' PRO . . . -56.88 -48.86 77.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.622 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 50.7 tttm -65.63 -53.99 33.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.534 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -55.19 -51.41 66.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.634 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 51.3 mtp -56.2 -63.49 1.17 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.607 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 14.3 t -48.75 -32.33 8.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.522 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -72.43 -39.7 67.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.559 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -67.7 -50.27 58.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.614 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 33.7 mt . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.444 179.985 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.448 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 56.0 tt0 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.849 0.357 . . . . 0.0 110.545 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 62.9 mm-40 -42.95 -60.21 1.7 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.641 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 -50.04 -37.11 31.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.595 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.448 ' HB3' ' O ' ' A' ' 6' ' ' GLN . . . -65.71 -67.09 0.47 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.797 -179.756 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.52 HG13 ' N ' ' A' ' 11' ' ' LEU . 6.2 p -56.95 -47.58 83.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.746 -179.732 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.52 ' N ' HG13 ' A' ' 10' ' ' VAL . 86.4 mt -53.39 -60.48 3.24 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.904 -0.318 . . . . 0.0 110.469 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -54.25 -42.15 69.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.557 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 62.6 tp60 -62.98 -46.88 85.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.586 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -58.45 -56.4 22.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.516 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 76.0 mtt180 -50.78 -54.03 26.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.473 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 27.7 ttp180 -58.74 -50.43 73.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.62 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -47.63 -50.87 23.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.577 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 51.6 mtm180 -62.15 -48.46 79.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.636 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -49.13 -65.86 0.5 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.556 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.511 ' N ' HD12 ' A' ' 20' ' ' LEU . 8.4 mp -54.19 -60.58 3.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.529 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -41.78 -38.17 1.42 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.552 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.7 tp -71.56 -44.3 64.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.384 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.0 mtm180 -60.5 -51.19 70.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.455 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 17.2 mt -63.18 -42.41 96.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.372 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.25 -42.4 99.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.492 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 87.1 mm-40 -72.2 -32.4 66.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.361 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.7 t -72.06 -55.12 7.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.46 179.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.405 ' CD ' ' N ' ' A' ' 29' ' ' ALA . 2.0 pp20? -62.79 -37.28 86.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.3 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.405 ' N ' ' CD ' ' A' ' 28' ' ' GLU . . . -67.15 -43.9 81.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.378 179.805 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.2 mm-40 -76.03 -25.07 55.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.295 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.2 tp . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.63 179.731 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.529 0.137 0 CA-C-O 120.883 0.373 . . . . 0.0 111.473 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.414 ' N ' ' OD1' ' A' ' 34' ' ' ASP . 25.4 p-10 -44.86 -36.42 3.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.655 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 45.4 tp10 -47.82 -54.06 13.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.607 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.18 -54.54 20.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.612 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 67.3 mm-40 -54.26 -59.92 4.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.602 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.1 -56.92 10.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.575 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -46.74 -66.29 0.43 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.551 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 17.3 mt -48.08 -47.98 33.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.497 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.89 -40.01 79.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.592 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 16.8 mt -75.84 -20.09 58.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.522 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 26.9 ttm105 -77.51 -42.48 35.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.477 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -80.94 0.96 33.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.627 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 97.7 p -45.43 118.36 1.72 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.573 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.563 ' H ' HD23 ' A' ' 46' ' ' LEU . 0.1 OUTLIER -77.72 -48.74 15.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.494 -179.916 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 35.3 t0 -66.56 -17.9 65.07 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.552 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.416 ' O ' ' OG ' ' A' ' 48' ' ' SER . 15.9 t . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.559 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.8 p . . . . . 0 CA--C 1.531 0.212 0 CA-C-O 120.491 0.186 . . . . 0.0 110.516 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -40.15 -42.76 3.57 Favored 'Trans proline' 0 C--N 1.311 -1.405 0 C-N-CA 122.475 2.117 . . . . 0.0 112.087 179.658 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -64.95 -51.86 59.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.549 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -47.5 -53.99 12.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.523 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 60.5 mtm -63.39 -49.47 73.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.461 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -48.01 -50.42 27.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.546 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 62.9 tttt -64.31 -53.83 42.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.615 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -49.28 -47.95 46.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.589 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 56.7 mtt -61.96 -64.1 1.04 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.62 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 18.2 t -46.36 -35.94 5.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.643 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -79.15 -34.08 43.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.62 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -69.32 -56.93 6.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.6 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.412 ' H ' ' HG ' ' A' ' 74' ' ' LEU . 47.4 mt . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.611 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.478 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 3.1 pt20 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.835 0.35 . . . . 0.0 110.552 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 23.0 mm100 -45.64 -60.5 2.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.627 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.8 tp60 -48.44 -33.88 10.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.883 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.478 ' HB3' ' O ' ' A' ' 6' ' ' GLN . . . -68.61 -64.41 0.87 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.969 -179.744 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 5.0 p -62.13 -30.61 49.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.723 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' A' ' 11' ' ' LEU . 59.0 mt -68.18 -66.63 0.54 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.598 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -56.22 -35.29 67.16 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.553 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 66.0 tp60 -63.87 -46.77 83.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.393 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -66.96 -56.68 9.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.534 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 77.6 mtt180 -48.3 -48.88 35.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.476 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 57.1 ttt180 -60.89 -62.05 2.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.57 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 36.5 t0 -41.56 -54.03 3.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.651 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 85.6 mtt-85 -56.35 -54.27 47.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.519 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -48.49 -67.75 0.24 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.534 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.469 ' N ' HD12 ' A' ' 20' ' ' LEU . 9.9 mp -45.18 -63.93 0.83 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.486 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -45.96 -36.94 5.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.629 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.2 tp -72.07 -40.09 68.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.527 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 25.1 mtm180 -63.76 -47.98 78.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.485 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 25.1 mt -67.79 -38.56 80.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.594 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.28 -44.37 71.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.639 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 77.4 mm-40 -67.03 -36.61 82.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.745 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 37.9 t -71.29 -57.92 4.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.755 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -59.95 -31.85 70.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.584 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.74 -45.77 60.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.59 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -79.35 -25.23 42.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.664 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.2 tp . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.822 179.854 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.2 m . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.786 0.327 . . . . 0.0 110.689 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -49.02 -30.04 5.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.373 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -54.07 -51.94 62.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.413 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.66 -60.59 3.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.478 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.406 ' HG2' ' H ' ' A' ' 37' ' ' GLN . 3.3 mm100 -44.93 -46.85 11.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.475 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.25 -45.25 93.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.539 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -59.38 -65.98 0.58 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.612 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.47 ' N ' HD12 ' A' ' 40' ' ' LEU . 10.2 mp -45.14 -44.86 11.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.399 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.97 -45.33 93.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.547 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 13.3 mt -67.23 -40.6 86.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.41 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 51.4 ttm-85 -67.43 -30.6 70.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.487 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 47.6 ttt180 -85.98 -38.07 18.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.409 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 66.4 m -98.85 78.47 2.31 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.569 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.537 ' C ' ' H ' ' A' ' 48' ' ' SER . 3.2 tp -70.35 -11.5 60.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.417 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -64.84 10.1 0.08 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.808 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.537 ' H ' ' C ' ' A' ' 46' ' ' LEU . 29.4 t . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.644 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.421 ' O ' ' N ' ' A' ' 65' ' ' GLN . 40.7 p . . . . . 0 CA--C 1.53 0.192 0 N-CA-C 110.352 -0.24 . . . . 0.0 110.352 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 80.4 Cg_exo -38.25 -39.26 0.98 Allowed 'Trans proline' 0 C--N 1.31 -1.462 0 C-N-CA 122.457 2.105 . . . . 0.0 112.242 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -63.59 -40.36 96.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.655 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.421 ' N ' ' O ' ' A' ' 62' ' ' THR . 28.4 mt-30 -65.91 -67.54 0.44 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.62 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 6.0 ptm -49.69 -42.64 46.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.628 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.22 -61.98 2.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.593 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -46.45 -50.0 17.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.492 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.503 ' O ' ' N ' ' A' ' 73' ' ' PHE . 27.1 mm-40 -57.35 -58.23 9.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.637 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 54.4 mtt -48.75 -53.46 18.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.516 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.7 t -56.86 -38.6 72.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.535 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -79.76 -22.66 42.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.566 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.503 ' N ' ' O ' ' A' ' 69' ' ' GLU . 35.0 t80 -82.11 -59.64 2.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.591 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 22.5 mt . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.428 -179.987 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.504 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 9.1 pt20 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.864 0.364 . . . . 0.0 110.598 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -47.16 -60.37 2.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.506 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.3 mm100 -47.38 -30.55 3.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.698 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.504 ' HB3' ' O ' ' A' ' 6' ' ' GLN . . . -72.3 -62.96 1.25 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.642 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.5 p -62.38 -31.49 51.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.498 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 79.3 mt -68.91 -51.86 35.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.28 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.6 mm-40 -63.6 -35.28 80.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.576 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 66.6 tp60 -70.67 -39.71 73.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.612 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 79.8 mt-10 -66.25 -58.56 5.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.553 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.469 ' CG ' ' N ' ' A' ' 16' ' ' ARG . 5.8 ptm180 -57.55 -44.78 85.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.37 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.469 ' N ' ' CG ' ' A' ' 15' ' ' ARG . 41.2 ttm180 -63.3 -51.09 67.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.337 179.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -48.86 -48.74 41.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.412 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 23.7 mmt180 -60.97 -51.71 68.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.472 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 54.8 mm-40 -46.28 -58.43 3.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.605 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.438 ' N ' HD12 ' A' ' 20' ' ' LEU . 10.9 mp -58.54 -66.11 0.54 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.361 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -40.76 -36.65 0.65 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.668 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.9 tp -67.38 -52.55 38.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.286 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 33.9 mtp180 -53.29 -57.52 10.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.193 179.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 10.8 mt -50.96 -56.79 3.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.121 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -48.46 -44.98 36.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.288 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 94.2 mm-40 -69.19 -22.43 63.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.736 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.425 ' O ' ' N ' ' A' ' 31' ' ' LEU . 31.5 t -77.91 -51.16 10.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.872 0.367 . . . . 0.0 110.294 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -68.69 -27.71 66.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.791 179.516 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -78.37 -41.69 32.59 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.699 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -87.73 -26.03 23.13 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.739 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.425 ' N ' ' O ' ' A' ' 27' ' ' SER . 7.1 mt . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.795 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.464 ' C ' ' N ' ' A' ' 35' ' ' GLU . 2.4 p . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.958 0.408 . . . . 0.0 110.302 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -49.17 -14.56 0.09 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.038 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.468 ' CG ' ' N ' ' A' ' 36' ' ' ALA . 16.6 pt-20 -60.53 -44.13 96.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.342 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.468 ' N ' ' CG ' ' A' ' 35' ' ' GLU . . . -53.41 -48.46 68.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.208 179.729 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -63.56 -60.03 3.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.478 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -47.18 -50.22 21.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.392 179.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -56.22 -52.57 63.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.474 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.665 HD23 HH22 ' A' ' 43' ' ' ARG . 10.2 mt -50.49 -51.48 46.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.36 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.47 -34.97 76.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.683 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 13.7 mt -72.62 -38.78 67.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.661 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.665 HH22 HD23 ' A' ' 40' ' ' LEU . 20.0 ttp-105 -75.86 -45.35 36.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.588 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 33.0 ttt180 -59.85 -16.22 27.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.484 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.3 t -87.85 95.5 10.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.472 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.611 HD22 ' N ' ' A' ' 46' ' ' LEU . 3.5 mm? -71.14 -14.89 62.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.385 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -71.54 3.47 3.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.575 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 93.6 p . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.491 -179.972 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.528 0.123 0 N-CA-C 110.166 -0.309 . . . . 0.0 110.166 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_endo -57.55 -41.1 74.96 Favored 'Trans proline' 0 C--N 1.309 -1.509 0 C-N-CA 122.56 2.173 . . . . 0.0 111.907 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 49.7 tt0 -64.19 -36.33 83.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.575 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -67.15 -67.89 0.42 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.472 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 11.5 ptm -48.48 -42.32 32.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.451 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.09 -51.81 68.45 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.45 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 12.5 tptp -57.19 -50.5 72.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.377 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -51.68 -45.71 63.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.426 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 4.1 mmt -58.64 -57.31 13.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.447 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 23.1 t -54.03 -28.38 38.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.407 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 86.0 mt-10 -84.25 -36.54 22.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.572 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -71.76 -32.12 67.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.628 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 15.3 mt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.454 179.962 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.467 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 14.4 pt20 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.953 0.406 . . . . 0.0 110.279 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 28.1 mm100 -46.19 -60.12 2.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.458 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.2 mm-40 -46.89 -34.42 5.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.639 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.467 ' HB3' ' O ' ' A' ' 6' ' ' GLN . . . -69.41 -65.16 0.75 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.812 -179.769 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.4 p -60.99 -29.79 46.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.734 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 53.7 mt -67.17 -58.8 4.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.353 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -61.29 -35.43 77.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.559 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 35.2 tp60 -70.74 -37.4 73.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.732 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -67.12 -57.29 7.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.481 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.429 ' CG ' ' N ' ' A' ' 16' ' ' ARG . 11.3 ptm180 -58.76 -42.91 90.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.381 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.429 ' N ' ' CG ' ' A' ' 15' ' ' ARG . 21.5 ttm180 -66.62 -53.47 33.87 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.298 179.62 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -47.4 -45.04 24.93 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.317 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 40.5 mtt-85 -63.99 -55.44 22.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.287 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -43.6 -61.23 1.46 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.509 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.502 ' N ' HD12 ' A' ' 20' ' ' LEU . 8.8 mp -57.73 -61.91 2.18 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.314 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -44.66 -34.19 2.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.581 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.4 tp -69.92 -47.64 61.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.242 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 27.5 mtp180 -58.18 -58.39 8.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.058 179.584 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.47 ' O ' ' N ' ' A' ' 27' ' ' SER . 11.8 mt -52.74 -58.22 3.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.975 179.736 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -45.93 -44.23 14.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.246 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -70.8 -23.92 62.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.479 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.502 ' O ' ' N ' ' A' ' 31' ' ' LEU . 10.2 t -74.8 -48.97 22.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.133 179.793 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -68.38 -34.09 75.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.831 179.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.46 -39.39 70.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.608 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.494 ' C ' HD23 ' A' ' 31' ' ' LEU . 49.5 mt-10 -89.36 -24.36 21.98 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.742 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.502 ' N ' ' O ' ' A' ' 27' ' ' SER . 0.9 OUTLIER . . . . . 0 N--CA 1.467 0.389 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.899 -179.844 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.9 p . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.813 0.34 . . . . 0.0 110.545 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.0 p-10 -53.18 -37.21 61.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.504 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 65.4 tt0 -43.79 -38.45 3.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.674 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.48 -54.53 42.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.563 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 55.7 mm-40 -60.47 -43.86 96.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.555 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.01 -51.85 67.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.547 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.497 ' O ' ' N ' ' A' ' 43' ' ' ARG . 52.4 m-20 -58.67 -55.0 40.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.552 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 14.9 mt -52.28 -42.88 64.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.526 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.73 -44.15 78.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.541 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 18.2 mt -74.43 -21.14 59.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.446 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.497 ' N ' ' O ' ' A' ' 39' ' ' ASP . 49.4 ttp180 -78.24 -48.04 16.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.514 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -71.63 -28.36 63.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.556 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.474 ' C ' ' N ' ' A' ' 47' ' ' ASP . 46.4 m -69.84 84.89 0.48 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.533 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.432 ' C ' ' H ' ' A' ' 48' ' ' SER . 3.9 tp -45.8 -16.67 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.571 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.474 ' N ' ' C ' ' A' ' 45' ' ' SER . 13.0 t70 -74.53 14.25 0.5 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.57 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.432 ' H ' ' C ' ' A' ' 46' ' ' LEU . 11.9 p . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.579 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 7.7 p . . . . . 0 CA--C 1.53 0.176 0 CA-C-O 120.466 0.174 . . . . 0.0 110.644 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -41.52 -49.28 5.2 Favored 'Trans proline' 0 C--N 1.311 -1.402 0 C-N-CA 122.509 2.14 . . . . 0.0 112.215 179.677 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -54.97 -54.08 47.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.594 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -51.18 -50.21 59.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.609 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 27.8 mtm -61.53 -35.58 78.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.659 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.412 ' O ' ' CB ' ' A' ' 71' ' ' SER . . . -63.91 -57.78 8.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.733 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 38.9 tttm -58.56 -38.64 78.29 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.689 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -67.13 -59.2 3.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.025 -179.722 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.468 ' CG ' ' N ' ' A' ' 71' ' ' SER . 4.2 ptt? -64.13 -42.8 96.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.839 -179.549 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.468 ' N ' ' CG ' ' A' ' 70' ' ' MET . 49.4 m -58.64 -49.7 76.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.679 -179.781 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -65.75 -34.58 78.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.699 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -73.55 -61.39 1.85 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.714 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 21.5 mt . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.647 -179.937 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.451 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 28.3 pt20 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.829 0.347 . . . . 0.0 110.575 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -49.24 -60.08 3.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.426 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.427 HE22 ' HB3' ' A' ' 12' ' ' GLU . 0.1 OUTLIER -44.32 -35.12 2.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.59 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.451 ' HB3' ' O ' ' A' ' 6' ' ' GLN . . . -70.1 -64.72 0.83 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.976 -179.716 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.0 p -60.97 -26.3 38.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 C-N-CA 120.809 -0.357 . . . . 0.0 110.472 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 11' ' ' LEU . 45.2 mt -69.63 -59.98 2.61 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.791 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.427 ' HB3' HE22 ' A' ' 8' ' ' GLN . 14.0 pt-20 -65.37 -28.33 69.19 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.597 -0.441 . . . . 0.0 110.442 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 37.3 tp60 -73.79 -42.36 61.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.558 -179.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -72.65 -41.96 64.87 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 120.285 -0.566 . . . . 0.0 110.956 -179.389 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.471 ' CG ' ' N ' ' A' ' 16' ' ' ARG . 30.1 ptt85 -69.19 -42.72 75.44 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.556 -0.458 . . . . 0.0 110.026 179.723 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.471 ' N ' ' CG ' ' A' ' 15' ' ' ARG . 64.7 ttt180 -62.91 -46.2 88.95 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.897 0.38 . . . . 0.0 110.123 179.515 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -58.59 -48.72 80.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.324 179.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 12.8 mmp_? -61.87 -47.15 86.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.424 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -53.53 -67.22 0.27 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.538 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.9 mp -51.15 -61.05 2.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.442 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -41.47 -38.26 1.24 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.691 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.4 tp -69.23 -48.42 61.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.253 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 44.5 mtp85 -54.77 -57.17 12.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.159 179.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 10.5 mt -54.16 -53.1 31.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.086 179.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -49.68 -46.51 50.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.196 179.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 91.7 mm-40 -71.11 -20.57 62.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.42 179.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.8 t -72.95 -55.56 6.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.313 -0.403 . . . . 0.0 109.978 179.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -64.82 -39.35 93.43 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.862 179.411 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.61 -42.81 98.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.535 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -75.86 -24.65 55.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.416 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.7 tp . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.677 179.825 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.429 ' O ' ' OE1' ' A' ' 37' ' ' GLN . 58.4 m . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.841 0.353 . . . . 0.0 110.582 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.413 ' O ' ' OD1' ' A' ' 34' ' ' ASP . 9.9 t0 -61.45 -21.56 64.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.683 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 21.0 pt-20 -59.81 -33.16 71.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.706 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -70.93 -57.42 4.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.59 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.539 ' CD ' ' H ' ' A' ' 37' ' ' GLN . 24.9 mp0 -58.93 -44.9 91.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.579 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.32 -51.32 70.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.494 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -59.23 -70.44 0.16 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.432 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.1 mt -40.81 -43.9 2.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.638 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.93 -45.68 91.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.591 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 15.7 mt -60.92 -37.93 84.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.558 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 59.7 mtt180 -75.17 -34.77 61.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.454 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 26.4 ttt180 -71.4 -1.99 14.97 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.735 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 32.2 t -89.71 -16.15 30.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.655 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.548 HD22 ' N ' ' A' ' 46' ' ' LEU . 3.6 mm? -66.32 -13.1 60.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.478 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -77.14 -23.67 51.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.521 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 10.6 t . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.6 -179.933 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.483 ' OG1' ' NE2' ' A' ' 65' ' ' GLN . 43.7 p . . . . . 0 CA--C 1.531 0.227 0 N-CA-C 110.363 -0.236 . . . . 0.0 110.363 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -39.14 -35.55 0.65 Allowed 'Trans proline' 0 C--N 1.311 -1.422 0 C-N-CA 122.474 2.116 . . . . 0.0 112.207 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 53.4 tt0 -61.1 -50.9 71.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.803 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.483 ' NE2' ' OG1' ' A' ' 62' ' ' THR . 2.0 mt-30 -59.73 -67.98 0.33 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.707 -179.795 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.602 ' SD ' ' N ' ' A' ' 67' ' ' ALA . 5.0 ppp? -46.48 -39.47 10.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.726 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.602 ' N ' ' SD ' ' A' ' 66' ' ' MET . . . -69.33 -59.02 3.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.484 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.422 ' O ' ' OE2' ' A' ' 72' ' ' GLU . 19.7 tptm -52.37 -52.28 54.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.401 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 76.9 mt-10 -55.6 -56.52 19.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.464 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 39.0 mmm -49.85 -44.4 49.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.376 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 19.7 m -57.76 -48.37 79.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.567 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.443 ' N ' ' OE1' ' A' ' 72' ' ' GLU . 0.3 OUTLIER -73.47 -26.65 61.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.608 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -71.62 -57.31 4.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.466 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 22.8 mt . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.583 -179.952 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.784 0.326 . . . . 0.0 110.585 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -60.71 -60.4 3.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.591 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 14.9 mm-40 -50.04 -34.35 21.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.818 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.94 -67.13 0.48 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.05 -179.678 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.488 HG13 ' N ' ' A' ' 11' ' ' LEU . 13.8 p -58.34 -41.25 80.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.729 -179.584 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.488 ' N ' HG13 ' A' ' 10' ' ' VAL . 82.1 mt -59.61 -60.47 3.79 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.903 -0.319 . . . . 0.0 110.356 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -50.41 -49.76 53.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.418 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 40.4 tp60 -54.37 -44.04 71.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.484 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -65.56 -53.33 43.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.581 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 34.0 mmt180 -46.62 -52.01 14.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.568 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -64.77 -58.66 5.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.583 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -42.53 -47.76 5.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.611 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 48.4 mtm180 -64.23 -54.92 25.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.527 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -45.73 -62.41 1.31 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.498 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.524 ' N ' HD12 ' A' ' 20' ' ' LEU . 8.2 mp -55.57 -65.03 0.66 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.43 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -40.41 -38.31 0.81 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.694 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.4 tp -66.5 -51.04 60.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.296 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 33.8 mtp85 -53.74 -56.36 18.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.145 179.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 11.7 mt -51.46 -53.95 13.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.086 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -48.76 -47.1 41.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.118 179.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 96.7 mm-40 -68.52 -22.22 64.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.427 179.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 31' ' ' LEU . 6.1 t -74.45 -55.99 5.35 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.157 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -60.62 -39.78 89.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.874 179.376 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.02 -48.11 77.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.457 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -75.84 -25.02 55.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.508 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 27' ' ' SER . 5.4 tp . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.645 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 11.5 p . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.803 0.335 . . . . 0.0 110.531 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 35.5 t0 -47.64 -31.22 4.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.436 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.427 ' O ' ' OD1' ' A' ' 39' ' ' ASP . 43.4 tt0 -53.42 -48.81 68.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.511 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.42 -53.6 56.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.546 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 18.0 mm100 -51.47 -49.4 61.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.543 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.76 -36.31 78.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.557 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.427 ' OD1' ' O ' ' A' ' 35' ' ' GLU . 9.6 m-20 -69.93 -47.91 60.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.583 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.9 mt -63.48 -32.6 74.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.454 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -73.11 -53.66 10.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.729 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.568 ' C ' HD12 ' A' ' 42' ' ' LEU . 1.1 pp -67.65 -26.46 66.23 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.558 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 56.8 ttt180 -83.4 -31.12 26.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.515 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 28.6 ttt85 -69.75 -28.13 65.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.418 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.0 t -83.94 126.46 33.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.495 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.604 ' C ' ' H ' ' A' ' 48' ' ' SER . 8.1 mp -80.27 -2.54 45.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.533 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -66.68 25.21 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.755 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.604 ' H ' ' C ' ' A' ' 46' ' ' LEU . 6.8 m . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.706 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.4 p . . . . . 0 CA--C 1.529 0.155 0 N-CA-C 110.259 -0.274 . . . . 0.0 110.259 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_exo -38.19 -39.91 1.07 Allowed 'Trans proline' 0 C--N 1.311 -1.433 0 C-N-CA 122.508 2.138 . . . . 0.0 112.283 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -66.73 -46.7 74.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.614 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 61.4 mt-30 -55.64 -64.56 0.81 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.629 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.503 ' O ' ' SD ' ' A' ' 70' ' ' MET . 8.2 ptm -55.27 -53.04 61.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.69 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.446 ' N ' ' CG ' ' A' ' 66' ' ' MET . . . -45.86 -53.54 9.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.517 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 12.5 tptp -60.81 -61.06 2.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.597 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -46.2 -54.58 8.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.559 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.604 ' N ' ' SD ' ' A' ' 70' ' ' MET . 0.0 OUTLIER -50.59 -57.81 7.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.437 179.939 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 38.1 m -55.11 -26.96 41.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.615 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -78.34 -35.2 47.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.61 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -74.69 -37.15 62.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.54 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 20.0 mt . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.479 179.915 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.461 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 7.4 tt0 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.819 0.342 . . . . 0.0 110.588 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -50.45 -60.19 3.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.567 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 14.0 tp60 -49.22 -34.87 15.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.64 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' A' ' 6' ' ' GLN . . . -65.84 -67.02 0.48 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.775 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.506 HG13 ' N ' ' A' ' 11' ' ' LEU . 7.7 p -59.13 -44.94 92.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.758 -179.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.506 ' N ' HG13 ' A' ' 10' ' ' VAL . 76.1 mt -53.54 -54.5 36.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.354 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -60.64 -43.88 97.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.533 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.694 HE22 HH21 ' A' ' 16' ' ' ARG . 59.2 tp60 -59.85 -39.09 84.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.586 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 70.9 mt-10 -66.38 -48.29 70.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.539 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 80.3 mtt180 -55.87 -56.2 23.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.504 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.694 HH21 HE22 ' A' ' 13' ' ' GLN . 52.1 ttp180 -57.96 -56.81 17.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.457 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -43.8 -44.4 6.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.528 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 16.9 mmt180 -64.76 -53.24 50.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.334 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -45.69 -59.57 2.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.511 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.545 HD12 ' N ' ' A' ' 20' ' ' LEU . 8.4 mp -59.43 -66.34 0.53 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.378 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -39.38 -36.59 0.37 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.671 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.2 tp -68.79 -51.15 44.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.211 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 39.5 mtp180 -58.6 -59.08 5.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.133 179.633 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.468 ' O ' ' N ' ' A' ' 27' ' ' SER . 13.9 mt -49.27 -55.04 4.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.888 179.655 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -45.38 -50.89 11.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.22 179.558 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -67.24 -20.87 65.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.409 179.631 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.485 ' O ' ' N ' ' A' ' 31' ' ' LEU . 5.0 t -76.63 -50.0 14.86 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.17 179.809 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -65.68 -35.25 80.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.95 179.542 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.54 -44.41 64.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.512 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -81.38 -25.18 36.51 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.64 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.485 ' N ' ' O ' ' A' ' 27' ' ' SER . 2.8 mt . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.544 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.456 ' C ' ' N ' ' A' ' 35' ' ' GLU . 6.8 t . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.799 0.333 . . . . 0.0 110.696 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -50.07 -15.22 0.19 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.999 0.428 . . . . 0.0 110.056 179.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.456 ' N ' ' C ' ' A' ' 33' ' ' SER . 1.3 pp20? -64.12 -29.4 70.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.452 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.58 -47.01 67.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.332 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.483 ' N ' ' CD ' ' A' ' 37' ' ' GLN . 17.8 mp0 -63.82 -52.61 59.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.32 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.44 -40.89 79.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.353 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.533 ' OD2' ' NH1' ' A' ' 43' ' ' ARG . 15.4 t70 -62.62 -60.36 3.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.484 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.0 mt -46.57 -47.18 19.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.472 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.65 -53.56 56.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.524 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 13.7 mt -57.97 -41.99 84.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.558 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.533 ' NH1' ' OD2' ' A' ' 39' ' ' ASP . 22.3 ttm105 -66.01 -46.19 78.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.506 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 27.1 ttt180 -59.81 -37.62 79.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.481 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 37.3 m -89.8 73.0 7.59 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.551 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.428 ' C ' ' H ' ' A' ' 48' ' ' SER . 5.6 tp -74.37 -30.1 61.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.544 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -63.59 -0.6 0.99 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.632 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.428 ' H ' ' C ' ' A' ' 46' ' ' LEU . 88.7 p . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.55 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.536 ' OG1' ' NE2' ' A' ' 65' ' ' GLN . 2.7 p . . . . . 0 CA--C 1.53 0.196 0 N-CA-C 110.408 -0.219 . . . . 0.0 110.408 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.416 ' O ' ' HB2' ' A' ' 67' ' ' ALA . 80.6 Cg_exo -38.77 -44.26 2.3 Favored 'Trans proline' 0 C--N 1.31 -1.454 0 C-N-CA 122.666 2.244 . . . . 0.0 112.453 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -65.25 -45.69 83.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.688 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.774 ' H ' HE21 ' A' ' 65' ' ' GLN . 0.2 OUTLIER -62.18 -63.4 1.25 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.635 -179.812 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.491 ' SD ' ' N ' ' A' ' 67' ' ' ALA . 0.0 OUTLIER -54.03 -36.22 62.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.718 -179.739 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.491 ' N ' ' SD ' ' A' ' 66' ' ' MET . . . -65.18 -64.46 0.86 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.468 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 15.9 tptp -45.19 -54.06 7.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.509 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 72.7 mt-10 -53.35 -52.34 59.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.558 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 7.1 mmt -60.66 -63.04 1.44 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.536 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 38.7 p -45.55 -36.22 4.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.648 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -77.4 -32.04 54.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.537 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -72.99 -53.34 11.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.482 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 37.0 mt . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.458 179.921 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.49 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 15.2 pt20 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.798 0.333 . . . . 0.0 110.342 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 28.0 mm100 -45.37 -60.29 2.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.488 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -47.16 -33.91 5.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.673 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.49 ' HB3' ' O ' ' A' ' 6' ' ' GLN . . . -69.59 -64.86 0.8 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.754 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.8 p -60.71 -30.28 46.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.648 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 57.5 mt -66.52 -61.48 1.97 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.265 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -60.12 -36.3 77.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.495 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 33.2 tp60 -66.05 -45.29 81.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.573 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -64.96 -56.52 12.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.417 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 85.4 mtt-85 -50.5 -53.22 31.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.361 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.416 ' O ' ' N ' ' A' ' 19' ' ' GLU . 39.3 ttp180 -59.32 -62.16 2.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.411 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 16' ' ' ARG . 25.4 t0 -39.59 -41.48 1.03 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.613 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 15.3 mmt85 -68.39 -45.48 72.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.25 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.416 ' N ' ' O ' ' A' ' 16' ' ' ARG . 58.5 mm-40 -55.86 -53.33 58.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.431 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 14.0 mt -60.31 -61.56 2.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.399 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -43.43 -36.51 1.99 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.426 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.4 tp -69.21 -47.92 63.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.163 179.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 25.5 mtp180 -55.24 -57.19 12.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.119 179.662 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 10.8 mt -54.02 -54.86 17.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.132 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -48.69 -48.78 39.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.178 179.744 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 91.0 mm-40 -69.33 -19.93 63.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.31 179.664 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.3 t -73.77 -57.06 4.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 109.933 179.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -62.01 -39.13 91.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.726 179.249 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.1 -45.19 93.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.394 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 53.6 mm-40 -75.84 -25.05 55.88 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.526 179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.4 tp . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.529 179.962 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.479 ' O ' ' N ' ' A' ' 35' ' ' GLU . 2.8 t . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.78 0.324 . . . . 0.0 110.927 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -44.67 -18.98 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.212 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 33' ' ' SER . 20.2 tt0 -69.59 -51.62 33.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.299 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.3 -50.57 69.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.551 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 63.5 mm-40 -59.42 -50.99 71.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.599 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.99 -52.26 66.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.624 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -57.88 -69.17 0.18 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.638 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 14.2 mt -42.65 -41.41 3.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.593 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.26 -42.51 99.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.691 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.4 mt -63.47 -37.94 89.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.576 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 14.9 mtp-105 -77.12 -48.4 17.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.594 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 17.8 ttm180 -59.75 -13.52 10.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.568 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 20.7 t -71.76 125.05 26.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.524 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.611 HD22 ' N ' ' A' ' 46' ' ' LEU . 3.5 mm? -71.7 -27.54 63.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.443 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -77.93 12.75 1.63 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.545 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 28.5 t . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.57 179.956 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.529 0.142 0 N-CA-C 110.267 -0.272 . . . . 0.0 110.267 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -64.92 -34.96 46.3 Favored 'Trans proline' 0 C--N 1.31 -1.489 0 C-N-CA 122.438 2.092 . . . . 0.0 111.78 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -63.14 -37.53 87.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.218 179.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 24.2 mm100 -66.25 -50.15 64.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.317 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 55.3 mtm -56.88 -43.58 81.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.376 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.7 -52.43 65.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.512 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 33.6 tptt -52.5 -48.86 65.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.499 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 57.7 mm-40 -58.3 -51.19 70.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.529 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 13.2 mmt -59.18 -60.92 3.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.56 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 21.7 p -46.23 -43.28 15.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.515 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 10.0 tm-20 -72.02 -27.04 62.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.545 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -79.31 -37.6 37.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.507 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 21.1 mt . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.451 179.94 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.443 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 53.0 tp60 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.731 0.3 . . . . 0.0 110.501 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 24.7 mm100 -42.93 -60.53 1.58 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.575 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.417 ' OE1' ' OE1' ' A' ' 12' ' ' GLU . 7.1 tp-100 -47.05 -38.07 10.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.679 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.443 ' HB3' ' O ' ' A' ' 6' ' ' GLN . . . -66.12 -65.21 0.71 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.925 -179.705 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 5.0 p -60.3 -29.64 44.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.64 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' A' ' 11' ' ' LEU . 41.1 mt -65.69 -67.51 0.44 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.605 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.417 ' OE1' ' OE1' ' A' ' 8' ' ' GLN . 15.3 pt-20 -57.8 -33.53 68.68 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.664 -179.746 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 21.9 tp60 -70.83 -36.67 73.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.412 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -68.3 -57.68 5.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.512 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.497 ' CG ' ' N ' ' A' ' 16' ' ' ARG . 12.0 ptm180 -58.14 -45.36 87.5 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.324 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.497 ' N ' ' CG ' ' A' ' 15' ' ' ARG . 38.1 ttm180 -62.28 -52.05 65.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.307 179.654 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -48.14 -51.41 24.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.389 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 39.2 mtp180 -59.91 -52.81 63.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.53 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 81.1 mt-10 -45.54 -66.22 0.43 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.519 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.515 ' N ' HD12 ' A' ' 20' ' ' LEU . 8.7 mp -54.68 -62.96 1.32 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.307 179.804 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -40.08 -39.13 0.83 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.579 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.5 tp -67.23 -48.62 67.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.1 179.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 59.7 mtp180 -56.48 -57.03 14.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.142 179.599 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.455 ' O ' ' N ' ' A' ' 27' ' ' SER . 13.8 mt -50.48 -55.7 5.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.004 179.659 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -45.76 -46.99 15.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.249 179.65 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -69.77 -22.93 63.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.315 179.692 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 24' ' ' ILE . 5.4 t -73.22 -51.36 18.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.0 179.769 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -65.35 -38.33 89.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.844 179.428 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.7 -44.35 90.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.465 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -75.76 -24.88 56.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.37 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.4 tp . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.776 179.793 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.4 p . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.856 0.36 . . . . 0.0 110.618 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -55.17 -21.83 15.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.416 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.402 ' CG ' ' N ' ' A' ' 36' ' ' ALA . 22.1 pt-20 -62.82 -40.74 98.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.507 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.402 ' N ' ' CG ' ' A' ' 35' ' ' GLU . . . -64.18 -52.08 60.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.545 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 95.7 mm-40 -54.75 -47.67 73.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.473 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.54 -58.3 8.9 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.535 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -46.99 -62.29 1.48 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.551 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.9 mt -47.71 -49.16 28.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.518 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -51.71 -52.6 47.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.607 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 22.7 mt -64.79 -23.74 67.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.534 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 9.7 tpt180 -75.35 -50.11 16.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.586 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -76.9 11.45 1.75 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.601 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 89.8 p -66.88 95.95 0.39 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.593 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.444 ' C ' ' H ' ' A' ' 48' ' ' SER . 4.8 tp -80.3 -22.72 41.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.44 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -76.97 19.68 0.29 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.546 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.444 ' H ' ' C ' ' A' ' 46' ' ' LEU . 26.0 t . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.835 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.4 p . . . . . 0 CA--C 1.529 0.17 0 N-CA-C 110.233 -0.284 . . . . 0.0 110.233 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 82.3 Cg_exo -38.49 -35.5 0.47 Allowed 'Trans proline' 0 C--N 1.31 -1.477 0 C-N-CA 122.537 2.158 . . . . 0.0 112.237 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -68.25 -47.77 66.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.63 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -55.07 -62.04 1.92 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.693 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.593 ' SD ' ' N ' ' A' ' 67' ' ' ALA . 3.0 ppp? -57.99 -41.56 83.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.664 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.593 ' N ' ' SD ' ' A' ' 66' ' ' MET . . . -59.65 -60.33 4.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.886 0.374 . . . . 0.0 110.452 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 12.9 tptp -51.94 -42.11 62.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.408 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -61.51 -58.27 8.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.405 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 24.6 mtt -49.41 -47.7 47.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.505 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.3 t -62.51 -35.84 80.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.54 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -77.28 -30.95 54.52 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.671 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -79.79 -52.04 8.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.564 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 20.7 mt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.522 -179.893 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.502 ' N ' ' CD ' ' A' ' 6' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.747 0.308 . . . . 0.0 110.496 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.493 ' N ' ' OE1' ' A' ' 6' ' ' GLN . 10.5 mm-40 -42.95 -60.33 1.66 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.374 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 29.9 tp60 -46.67 -36.12 6.73 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.61 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.465 ' HB3' ' O ' ' A' ' 6' ' ' GLN . . . -69.43 -67.02 0.51 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.878 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.1 p -57.07 -28.99 30.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.698 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 11' ' ' LEU . 55.6 mt -69.68 -67.16 0.5 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.601 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -57.71 -33.21 68.17 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.582 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 52.3 tp60 -66.51 -46.97 74.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.405 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -63.51 -60.05 3.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.398 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.8 mmp_? -48.82 -50.83 32.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.379 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 69.9 ttt-85 -58.14 -53.35 59.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.424 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -44.75 -52.29 8.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.599 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 20.5 mmt180 -59.98 -53.07 62.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.562 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -45.4 -65.47 0.53 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.548 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.493 ' N ' HD12 ' A' ' 20' ' ' LEU . 9.0 mp -51.86 -63.06 1.26 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.42 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -41.77 -41.27 2.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.699 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.4 tp -67.75 -41.01 84.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.53 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.406 ' N ' ' O ' ' A' ' 20' ' ' LEU . 68.6 mtp180 -62.48 -46.04 90.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.48 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 31.3 mt -64.81 -41.94 93.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.435 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.9 -46.34 75.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.539 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 77.2 mm-40 -69.98 -35.02 74.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.354 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 58.8 m -71.49 -57.43 4.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.586 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -58.9 -37.44 76.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.236 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.32 -38.79 78.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.214 179.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -79.05 -25.08 43.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.419 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.413 ' O ' ' OD1' ' A' ' 34' ' ' ASP . 3.9 tp 59.09 26.43 15.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.663 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.8 mm -93.19 -27.91 4.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.427 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 18.7 m -78.14 55.21 1.46 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.446 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.413 ' OD1' ' O ' ' A' ' 31' ' ' LEU . 1.5 m-20 -71.82 -18.97 62.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.62 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.477 ' CD ' ' N ' ' A' ' 36' ' ' ALA . 2.2 pp20? -61.66 -38.57 88.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.569 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.477 ' N ' ' CD ' ' A' ' 35' ' ' GLU . . . -64.18 -50.57 67.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.479 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 77.9 mm-40 -56.61 -49.05 76.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.418 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.07 -48.68 75.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.441 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -58.32 -70.33 0.15 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.543 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 27.4 mt -44.82 -36.17 3.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.644 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.45 -37.41 82.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.605 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.5 mt -69.36 -43.51 73.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.575 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 40.1 mtp180 -73.78 -27.26 61.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.511 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 39.3 ttt-85 -78.31 -28.6 47.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.335 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 91.6 p -79.88 62.09 4.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.556 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.452 ' C ' ' H ' ' A' ' 48' ' ' SER . 5.7 tp -49.15 -28.56 4.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.608 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -75.82 21.56 0.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.607 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.452 ' H ' ' C ' ' A' ' 46' ' ' LEU . 14.9 t -45.92 -38.03 7.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.617 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -63.06 149.92 89.64 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.422 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -68.92 -180.0 2.89 Favored 'Trans proline' 0 C--N 1.309 -1.536 0 C-N-CA 122.526 2.15 . . . . 0.0 112.007 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.415 HG22 ' N ' ' A' ' 52' ' ' SER . 6.9 p -74.99 153.93 6.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.568 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.415 ' N ' HG22 ' A' ' 51' ' ' VAL . 41.5 t -131.06 117.53 19.27 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.515 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 61.8 mttm -78.03 129.59 35.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.645 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -156.59 0.13 0.13 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.478 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -99.81 -27.35 13.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.505 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.403 ' C ' ' H ' ' A' ' 58' ' ' ARG . . . 93.41 35.23 6.31 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.4 m -79.24 33.56 0.23 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.896 0.379 . . . . 0.0 110.576 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.531 ' O ' ' O ' ' A' ' 59' ' ' PRO . 67.7 mtp180 -81.01 151.8 70.74 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.352 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.531 ' O ' ' O ' ' A' ' 58' ' ' ARG . 78.4 Cg_exo -40.65 176.55 0.0 OUTLIER 'Trans proline' 0 C--N 1.31 -1.45 0 C-N-CA 122.801 2.334 . . . . 0.0 112.4 179.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 28.5 ttmt 72.79 109.04 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.438 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.591 ' SD ' ' N ' ' A' ' 61' ' ' MET . 0.0 OUTLIER -87.16 114.44 23.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.607 -179.932 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.469 ' O ' ' N ' ' A' ' 65' ' ' GLN . 1.6 p -77.89 148.82 76.26 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.271 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_exo -37.77 -39.34 0.79 Allowed 'Trans proline' 0 C--N 1.31 -1.483 0 C-N-CA 122.551 2.167 . . . . 0.0 112.084 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -64.5 -39.78 94.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.557 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.469 ' N ' ' O ' ' A' ' 62' ' ' THR . 26.5 mt-30 -64.94 -64.98 0.73 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.56 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 10.1 ptm -53.07 -35.06 59.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.558 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.8 -40.41 83.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.475 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 33.3 tptt -71.3 -34.89 71.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.489 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -67.7 -58.45 4.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.554 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.486 ' CG ' ' N ' ' A' ' 71' ' ' SER . 15.5 ptm -60.42 -45.45 93.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.415 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.486 ' N ' ' CG ' ' A' ' 70' ' ' MET . 39.9 t -57.54 -45.68 84.8 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.503 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 50.0 tt0 -71.17 -33.4 69.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.55 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 39.4 t80 -67.83 -64.84 0.78 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.512 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 28.0 mt -47.61 -39.93 18.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.424 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 44.5 t -94.21 102.81 14.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.481 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 34.9 ttt85 -159.73 -74.54 0.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.529 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 170.88 177.44 40.81 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -77.37 -99.28 0.01 OUTLIER 'Trans proline' 0 C--N 1.306 -1.694 0 C-N-CA 122.874 2.383 . . . . 0.0 112.042 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.455 0 CA-C-O 117.952 -1.023 . . . . 0.0 110.531 179.937 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.482 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 8.1 tt0 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.807 0.336 . . . . 0.0 110.48 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -48.35 -60.14 2.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.43 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -49.23 -34.4 14.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.554 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.482 ' HB3' ' O ' ' A' ' 6' ' ' GLN . . . -65.84 -65.96 0.61 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.65 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.478 HG13 ' N ' ' A' ' 11' ' ' LEU . 5.1 p -60.09 -45.55 95.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.636 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.478 ' N ' HG13 ' A' ' 10' ' ' VAL . 75.3 mt -53.18 -57.94 8.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.336 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 54.4 mm-40 -60.58 -37.16 80.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.535 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 46.6 tp60 -62.06 -41.05 97.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.503 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -68.42 -55.92 10.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.567 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 25.1 mmt180 -49.82 -50.84 43.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.568 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 30.3 ttm180 -64.47 -62.33 1.66 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.716 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -40.26 -46.91 2.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.798 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.1 mmp_? -63.88 -55.36 23.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.677 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.0 mm-40 -45.52 -59.84 2.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.532 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.512 ' N ' HD12 ' A' ' 20' ' ' LEU . 9.5 mp -56.65 -66.02 0.51 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.427 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -40.8 -35.3 0.48 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.633 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.415 ' C ' HE21 ' A' ' 26' ' ' GLN . 5.2 tp -68.39 -52.0 37.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.255 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 48.1 mtp85 -56.98 -58.5 7.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.134 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.405 HG21 HD13 ' A' ' 24' ' ' ILE . 12.3 mt -49.5 -56.09 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.924 179.72 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -47.12 -44.38 21.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.279 179.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.415 HE21 ' C ' ' A' ' 22' ' ' LEU . 34.0 mt-30 -68.87 -24.95 64.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.399 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 31' ' ' LEU . 9.1 t -74.23 -55.94 5.47 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.087 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -60.26 -38.04 82.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.005 179.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.14 -48.89 71.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.515 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -75.91 -25.7 56.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.574 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' A' ' 27' ' ' SER . 4.9 tp 49.05 27.28 1.64 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.632 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.2 mm -91.22 -63.91 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.37 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 33.3 p -72.23 51.47 0.24 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.768 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.415 ' OD2' ' O ' ' A' ' 31' ' ' LEU . 44.8 m-20 -62.88 -26.34 68.73 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.309 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.449 ' CG ' ' N ' ' A' ' 36' ' ' ALA . 11.4 pt-20 -60.91 -45.62 93.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.347 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.449 ' N ' ' CG ' ' A' ' 35' ' ' GLU . . . -58.44 -59.35 5.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.222 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 -46.27 -54.7 8.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.248 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.38 -47.58 85.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.439 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.401 ' O ' ' N ' ' A' ' 43' ' ' ARG . 17.4 m-20 -54.67 -69.02 0.14 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.614 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.4 ' N ' HD12 ' A' ' 40' ' ' LEU . 10.8 mp -43.84 -50.46 7.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.389 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.38 -41.86 81.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.458 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 13.1 mt -77.91 -15.07 59.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.29 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.401 ' N ' ' O ' ' A' ' 39' ' ' ASP . 46.9 ttt85 -82.06 -50.37 9.16 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.535 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.545 ' O ' ' N ' ' A' ' 46' ' ' LEU . 7.4 ptt180 -64.84 -2.18 2.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.478 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.6 t -49.3 86.43 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.624 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.545 ' N ' ' O ' ' A' ' 44' ' ' ARG . 6.2 tp -78.74 -22.28 46.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.368 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 52.9 t0 -59.42 -1.73 0.25 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.609 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.491 ' H ' ' C ' ' A' ' 46' ' ' LEU . 11.4 t -43.4 -72.81 0.05 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.642 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.482 ' O ' ' O ' ' A' ' 50' ' ' PRO . 8.8 m-85 -75.69 149.11 83.19 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.272 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.482 ' O ' ' O ' ' A' ' 49' ' ' TYR . 88.2 Cg_exo -41.16 173.95 0.0 OUTLIER 'Trans proline' 0 C--N 1.313 -1.323 0 C-N-CA 122.607 2.205 . . . . 0.0 112.496 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 12.6 m -115.29 140.43 36.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.503 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 53.4 p -81.66 116.29 21.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.644 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 22.3 mmtm -74.18 170.0 16.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.56 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 54.13 74.61 0.32 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.608 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.401 ' C ' ' H ' ' A' ' 57' ' ' THR . 9.5 t70 -158.11 71.16 0.58 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.556 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 73.61 -10.64 6.51 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.401 ' H ' ' C ' ' A' ' 55' ' ' ASP . 12.3 p -94.13 69.93 3.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.874 0.369 . . . . 0.0 110.542 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 51.6 mtm180 -88.97 150.32 45.15 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.344 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -67.75 179.14 2.83 Favored 'Trans proline' 0 C--N 1.309 -1.506 0 C-N-CA 122.547 2.165 . . . . 0.0 111.949 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.401 ' C ' ' CD ' ' A' ' 60' ' ' LYS . 5.0 tmtt? 72.38 109.95 0.07 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.292 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 11.9 tpp -91.95 135.25 34.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.512 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 7.2 p -110.31 150.79 42.06 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.456 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_exo -38.99 -48.42 2.85 Favored 'Trans proline' 0 C--N 1.312 -1.381 0 C-N-CA 122.474 2.116 . . . . 0.0 112.131 179.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -55.66 -54.44 44.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.377 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -51.36 -54.03 30.44 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.349 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.496 ' O ' ' SD ' ' A' ' 70' ' ' MET . 67.6 mtp -52.26 -61.29 2.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.436 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -48.51 -56.81 7.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.53 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 12.8 tptm -55.55 -63.66 1.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.486 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -46.06 -57.32 4.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.581 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.591 ' N ' ' SD ' ' A' ' 70' ' ' MET . 0.0 OUTLIER -48.87 -47.41 42.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.418 179.9 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 16.5 t -59.16 -41.65 88.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.542 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 32.6 tp10 -67.59 -40.94 84.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.53 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -62.58 -57.18 12.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.483 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 41.0 mt -66.95 -23.93 66.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.503 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.429 ' OG ' ' N ' ' A' ' 76' ' ' ARG . 33.8 t 49.36 -151.71 0.15 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.655 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.429 ' N ' ' OG ' ' A' ' 75' ' ' SER . 15.4 ttm180 -77.95 -63.4 1.4 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.545 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -159.37 -172.66 26.79 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -46.82 137.9 15.71 Favored 'Trans proline' 0 C--N 1.306 -1.679 0 C-N-CA 122.799 2.332 . . . . 0.0 112.146 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 117.98 -1.01 . . . . 0.0 110.534 179.971 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.42 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 42.1 tt0 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.938 0.399 . . . . 0.0 110.377 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -45.01 -60.37 2.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.729 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -48.3 -37.17 15.72 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.836 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' A' ' 6' ' ' GLN . . . -66.45 -67.06 0.48 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.91 -179.661 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.478 HG13 ' N ' ' A' ' 11' ' ' LEU . 6.2 p -56.59 -43.79 79.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.563 -179.725 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.478 ' N ' HG13 ' A' ' 10' ' ' VAL . 84.4 mt -57.05 -67.56 0.31 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.386 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 58.8 mt-10 -46.2 -47.48 17.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.428 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.2 tm0? -58.23 -53.13 61.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.333 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 -55.05 -56.74 16.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.54 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 30.3 mtp180 -46.26 -51.14 15.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.382 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 65.0 ttt180 -55.19 -61.19 2.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.229 179.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -46.97 -47.03 21.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.308 179.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 53.0 mtp180 -61.2 -53.67 54.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.455 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 50.6 mm-40 -45.36 -56.89 4.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.49 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 11.0 mp -55.28 -62.94 1.34 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.318 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -49.96 -34.78 21.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.667 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.422 ' C ' HE21 ' A' ' 26' ' ' GLN . 5.5 tp -69.91 -40.09 75.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.653 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 26.1 mtp180 -66.92 -46.18 75.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.504 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.441 ' O ' ' CG ' ' A' ' 28' ' ' GLU . 28.6 mt -71.03 -29.76 38.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.539 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.11 -51.56 13.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.743 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.422 HE21 ' C ' ' A' ' 22' ' ' LEU . 4.0 pt20 -68.12 -32.73 73.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.437 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 45.7 t -73.98 -54.29 8.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.729 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.441 ' CG ' ' O ' ' A' ' 24' ' ' ILE . 1.3 pp20? -64.63 -28.45 69.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.562 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -77.18 -43.43 33.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.674 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -83.35 -25.36 31.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.535 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.0 tp 46.46 50.08 12.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.82 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 85.4 mt -104.21 -38.14 4.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.431 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.1 m -75.7 47.68 0.42 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.482 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -45.08 -25.04 0.29 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.425 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -58.85 -50.09 75.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.457 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.21 -60.68 3.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.538 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -47.32 -43.46 22.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.606 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.47 -44.86 89.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.687 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -57.73 -62.85 1.5 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.622 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.537 ' N ' HD12 ' A' ' 40' ' ' LEU . 8.8 mp -54.36 -41.33 69.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.597 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.33 -58.72 7.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.61 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 15.1 mt -61.77 -37.23 83.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.511 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 44.8 ttt85 -71.01 -31.76 68.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.504 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.415 HH11 ' HB2' ' A' ' 44' ' ' ARG . 14.5 ttp-105 -77.79 -38.08 47.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.357 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 46.6 m -88.87 98.64 11.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.662 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.586 HD22 ' N ' ' A' ' 46' ' ' LEU . 3.6 mm? -71.82 -34.69 69.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.285 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -79.61 21.55 0.51 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.569 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 46.1 t -45.97 -48.41 16.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.68 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 2.8 p90 -76.39 151.42 83.21 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.358 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -69.88 -179.94 3.33 Favored 'Trans proline' 0 N--CA 1.494 1.527 0 C-N-CA 122.535 2.157 . . . . 0.0 111.939 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 5.9 m -118.3 129.62 74.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.513 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.9 t -115.27 129.09 56.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.454 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.415 ' O ' ' N ' ' A' ' 55' ' ' ASP . 8.4 mmtp -85.26 110.02 18.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.536 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.478 ' C ' ' N ' ' A' ' 56' ' ' GLY . 2.6 t30 36.08 34.36 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.097 179.807 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.49 ' C ' ' H ' ' A' ' 57' ' ' THR . 1.4 m-20 48.47 11.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.676 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.478 ' N ' ' C ' ' A' ' 54' ' ' ASN . . . 71.2 -17.37 1.02 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.079 -0.809 . . . . 0.0 111.079 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.49 ' H ' ' C ' ' A' ' 55' ' ' ASP . 11.7 p -90.21 77.15 6.76 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.82 0.343 . . . . 0.0 110.608 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 28.9 mtp180 -88.98 146.21 36.1 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.262 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -71.19 170.28 18.61 Favored 'Trans proline' 0 C--N 1.309 -1.506 0 C-N-CA 122.582 2.188 . . . . 0.0 111.818 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 56.6 tttp -178.71 146.99 0.36 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.626 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 3.2 ptt? -129.8 132.14 46.42 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.294 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.539 ' OG1' ' NE2' ' A' ' 65' ' ' GLN . 3.6 p -80.22 151.0 72.14 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.406 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.413 ' O ' ' CB ' ' A' ' 67' ' ' ALA . 82.5 Cg_exo -38.17 -46.85 2.27 Favored 'Trans proline' 0 C--N 1.311 -1.408 0 C-N-CA 122.671 2.247 . . . . 0.0 112.324 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 61.4 tt0 -54.07 -48.64 70.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.722 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.826 ' H ' HE21 ' A' ' 65' ' ' GLN . 0.3 OUTLIER -59.68 -65.96 0.59 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.53 -179.811 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 12.2 ptm -53.79 -39.26 65.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.636 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.413 ' CB ' ' O ' ' A' ' 63' ' ' PRO . . . -65.52 -59.72 3.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.473 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.8 mmmm -55.98 -55.24 35.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.582 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -49.56 -57.83 6.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.554 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 12.3 mmt -54.8 -58.17 8.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.586 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.5 t -48.2 -54.42 13.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.525 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -60.14 -45.67 92.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.736 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -60.67 -62.75 1.63 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.617 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 29.5 mt -56.46 -41.66 76.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.665 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.4 t -98.35 98.6 9.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.585 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 12.9 mtm180 -70.76 -45.73 64.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.559 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 163.36 171.7 29.93 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -72.67 140.3 32.31 Favored 'Trans proline' 0 C--N 1.306 -1.676 0 C-N-CA 122.805 2.337 . . . . 0.0 112.012 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.395 0 CA-C-O 117.916 -1.04 . . . . 0.0 110.587 -179.99 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.461 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 10.0 tt0 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.83 0.348 . . . . 0.0 110.618 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -43.45 -60.5 1.7 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.425 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -46.68 -36.27 6.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.686 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' A' ' 6' ' ' GLN . . . -68.34 -65.9 0.64 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.741 -179.767 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.0 p -59.14 -30.18 43.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.662 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 42.9 mt -65.67 -60.03 3.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.366 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -58.98 -38.52 79.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.486 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 61.2 tp60 -62.62 -42.86 99.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.524 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 46.3 mm-40 -66.27 -49.52 66.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.532 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 67.0 mtp180 -53.63 -49.79 67.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.52 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 88.5 mtt180 -62.15 -61.14 2.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.606 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -40.88 -51.0 3.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.714 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 80.9 mtt180 -63.65 -51.15 66.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.532 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.5 mm-40 -55.76 -62.71 1.51 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.487 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.486 ' O ' ' N ' ' A' ' 23' ' ' ARG . 10.7 mp -51.1 -64.37 0.83 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.426 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -41.49 -42.52 2.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.548 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.1 tp -68.17 -35.93 78.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.392 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.486 ' N ' ' O ' ' A' ' 20' ' ' LEU . 37.3 mtp180 -72.77 -41.85 64.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.523 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.43 ' O ' ' CG ' ' A' ' 28' ' ' GLU . 54.8 mt -70.7 -30.3 41.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.676 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.87 -52.9 9.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.687 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -65.2 -33.26 75.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.454 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 31' ' ' LEU . 46.2 t -74.05 -58.71 3.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.617 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.43 ' CG ' ' O ' ' A' ' 24' ' ' ILE . 1.2 pp20? -59.71 -27.48 66.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.607 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -78.49 -44.04 25.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.604 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -80.84 -21.11 41.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.652 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.422 ' N ' ' O ' ' A' ' 27' ' ' SER . 4.9 mt 49.18 26.2 1.41 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.58 179.778 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.0 mm -79.94 -44.5 22.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.925 0.393 . . . . 0.0 110.405 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.403 ' OG ' ' OG ' ' A' ' 27' ' ' SER . 89.5 p -71.62 70.9 0.69 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.499 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -73.84 -28.24 61.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.594 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.4 ' CG ' ' N ' ' A' ' 36' ' ' ALA . 22.9 pt-20 -59.51 -41.37 89.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.545 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.4 ' N ' ' CG ' ' A' ' 35' ' ' GLU . . . -61.21 -54.31 45.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.507 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 17.6 mm-40 -54.11 -43.76 70.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.529 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.6 -44.4 97.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.57 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.486 ' O ' ' N ' ' A' ' 43' ' ' ARG . 4.1 m-20 -64.73 -50.7 65.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.618 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 22.5 mt -59.5 -31.91 69.79 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.312 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -73.0 -40.06 65.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.01 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.2 pp -89.04 -19.7 25.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.781 0.324 . . . . 0.0 110.627 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.486 ' N ' ' O ' ' A' ' 39' ' ' ASP . 44.0 ttm180 -81.6 -42.45 20.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.644 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 4.8 ppt_? -59.74 -13.09 8.67 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.592 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 13.6 t -81.28 121.6 26.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.559 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.484 ' C ' ' H ' ' A' ' 48' ' ' SER . 5.6 tp -82.42 -39.17 22.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.616 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.526 ' OD1' ' N ' ' A' ' 47' ' ' ASP . 18.5 p-10 -72.0 14.25 0.23 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.672 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.484 ' H ' ' C ' ' A' ' 46' ' ' LEU . 35.1 t -86.63 -38.63 16.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.665 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -66.48 151.58 95.98 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.441 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -43.87 119.53 1.98 Allowed 'Trans proline' 0 C--N 1.31 -1.468 0 C-N-CA 122.355 2.036 . . . . 0.0 111.862 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.1 p -76.9 139.77 18.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.39 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.4 p -131.02 132.05 44.72 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.542 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 41.0 mttp -80.84 148.33 30.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.53 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.516 ' C ' ' H ' ' A' ' 56' ' ' GLY . 5.6 t-20 -170.43 38.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.469 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.519 ' C ' ' H ' ' A' ' 57' ' ' THR . 0.7 OUTLIER 50.75 8.7 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.696 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.516 ' H ' ' C ' ' A' ' 54' ' ' ASN . . . 64.13 -5.85 0.86 Allowed Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.104 -0.798 . . . . 0.0 111.104 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.519 ' H ' ' C ' ' A' ' 55' ' ' ASP . 3.3 p 40.82 52.98 3.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.919 0.39 . . . . 0.0 110.727 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 35.7 mtp180 -84.13 146.79 49.15 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.386 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -68.59 179.71 2.92 Favored 'Trans proline' 0 N--CA 1.494 1.544 0 C-N-CA 122.459 2.106 . . . . 0.0 111.971 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 18.2 pttm -155.16 171.1 20.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.581 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.585 ' SD ' ' N ' ' A' ' 61' ' ' MET . 3.9 mpp? -80.97 112.13 18.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.579 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.422 ' H ' HG23 ' A' ' 62' ' ' THR . 2.0 p -79.42 148.36 70.11 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.328 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_exo -38.42 -40.51 1.29 Allowed 'Trans proline' 0 C--N 1.311 -1.434 0 C-N-CA 122.516 2.144 . . . . 0.0 112.23 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -62.94 -44.72 95.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.598 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -58.35 -67.12 0.38 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.546 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 15.0 ptm -51.55 -39.06 57.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.576 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.57 -57.68 11.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.532 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 48.1 tttp -58.03 -48.09 81.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.572 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -50.67 -50.81 53.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.514 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 12.7 mmt -60.01 -62.34 1.94 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.45 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.6 m -47.31 -30.05 2.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.534 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 67.6 tt0 -77.68 -41.86 36.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.611 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -72.0 -53.22 13.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.525 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.421 ' O ' ' O ' ' A' ' 75' ' ' SER . 35.4 mt -62.55 -8.41 6.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.531 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.421 ' O ' ' O ' ' A' ' 74' ' ' LEU . 51.9 p -50.2 -177.06 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.568 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -137.79 103.22 4.94 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.545 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 156.43 -68.16 0.29 Allowed Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.423 ' O ' ' OXT' ' A' ' 79' ' ' ALA . 59.3 Cg_endo -74.11 177.94 7.57 Favored 'Trans proline' 0 C--N 1.306 -1.678 0 C-N-CA 122.767 2.311 . . . . 0.0 112.085 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.423 ' OXT' ' O ' ' A' ' 78' ' ' PRO . . . . . . . . 0 C--O 1.219 -0.522 0 CA-C-O 118.03 -0.986 . . . . 0.0 110.584 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.457 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 10.4 tt0 . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.777 0.322 . . . . 0.0 110.393 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 17.0 mm-40 -42.89 -60.3 1.65 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.466 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.408 HE21 ' HA ' ' A' ' 8' ' ' GLN . 5.2 mm-40 -46.54 -36.81 7.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.595 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.457 ' HB3' ' O ' ' A' ' 6' ' ' GLN . . . -68.44 -65.28 0.72 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.944 -179.78 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.9 p -59.28 -28.94 40.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.593 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 11' ' ' LEU . 52.0 mt -69.28 -69.19 0.35 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.512 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -55.33 -31.11 61.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.488 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 15.8 tp60 -67.29 -47.64 70.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.387 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -63.82 -45.95 87.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.409 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 50.6 mtp180 -57.74 -51.76 68.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.392 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 86.3 mtt-85 -63.21 -59.51 4.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.448 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -41.07 -52.9 3.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.689 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 73.7 mtp180 -59.32 -51.38 70.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.559 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -57.46 -64.53 0.86 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.554 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.497 ' N ' HD12 ' A' ' 20' ' ' LEU . 8.9 mp -51.95 -61.03 2.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.501 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -44.42 -39.86 5.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.56 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.6 tt -70.98 -35.5 72.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.525 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 19.9 mtp180 -68.55 -43.98 75.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.493 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 39.4 mt -70.1 -38.21 74.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.508 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.95 -48.64 75.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.536 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 72.4 mm-40 -68.15 -36.69 80.08 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.386 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.408 ' O ' ' N ' ' A' ' 31' ' ' LEU . 70.6 m -70.66 -58.08 4.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.761 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -58.37 -35.47 72.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.309 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.88 -37.08 70.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.278 179.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -81.55 -25.16 36.08 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.576 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.408 ' N ' ' O ' ' A' ' 27' ' ' SER . 3.2 mt 53.97 24.03 4.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.412 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.0 mm -88.4 -41.64 14.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.317 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 52.5 m -78.23 55.9 1.6 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.578 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -68.14 -23.87 64.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.481 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -58.07 -42.09 84.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.532 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.56 -47.19 82.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.42 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 90.1 mm-40 -55.53 -51.54 66.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.532 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.74 -41.47 91.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.616 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -60.86 -66.71 0.49 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.662 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 32.1 mt -47.81 -40.33 20.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.512 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.45 -47.85 84.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.609 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 17.5 mt -67.17 -34.43 77.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.548 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 54.1 ttt180 -76.36 -34.98 58.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.569 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 20.1 ttp85 -80.82 -16.5 53.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.307 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.0 t -64.53 150.53 46.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.599 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.584 HD22 ' N ' ' A' ' 46' ' ' LEU . 3.6 mm? -68.19 -14.17 62.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.386 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -70.34 -26.86 63.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.632 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 90.2 p -86.75 79.51 8.82 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.562 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 39.3 p90 -62.49 148.65 89.96 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.332 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_exo -42.42 119.4 1.35 Allowed 'Trans proline' 0 C--N 1.311 -1.398 0 C-N-CA 122.357 2.038 . . . . 0.0 111.936 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.8 p -106.47 154.04 7.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.433 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.6 t -82.54 107.89 15.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.516 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 16.6 pttm -104.44 133.83 48.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.573 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -80.74 96.91 7.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.486 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 44.73 31.35 0.64 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.587 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 102.54 20.41 12.01 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.0 m 42.14 42.36 2.42 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.82 0.343 . . . . 0.0 110.669 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 59.0 mtp85 -92.67 147.82 34.93 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.439 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -68.02 -178.84 1.85 Allowed 'Trans proline' 0 N--CA 1.493 1.494 0 C-N-CA 122.496 2.131 . . . . 0.0 111.934 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 29.8 ttmt -146.81 127.78 14.53 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.59 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.507 ' SD ' ' N ' ' A' ' 61' ' ' MET . 0.0 OUTLIER -100.39 143.53 30.47 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.473 179.916 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 25.6 p -85.51 148.6 49.71 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.482 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.461 ' O ' ' HB2' ' A' ' 67' ' ' ALA . 81.5 Cg_exo -39.1 -40.11 1.6 Allowed 'Trans proline' 0 C--N 1.31 -1.478 0 C-N-CA 122.566 2.177 . . . . 0.0 112.273 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 65.5 tt0 -63.9 -42.39 97.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.693 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -60.88 -67.8 0.37 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.611 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.581 ' SD ' ' N ' ' A' ' 67' ' ' ALA . 0.0 OUTLIER -53.05 -35.7 59.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.708 -179.812 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.581 ' N ' ' SD ' ' A' ' 66' ' ' MET . . . -59.93 -57.89 10.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.547 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 54.8 tttm -59.69 -51.42 69.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.568 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -47.96 -49.48 30.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.578 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 28.5 mmt -60.39 -57.63 11.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.524 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 39.0 m -53.98 -26.73 27.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.569 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 49.3 mm-40 -83.55 -37.21 23.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.519 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -75.98 -53.26 8.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.572 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 23.4 mt -53.25 -33.68 54.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.495 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 59.9 p -75.63 82.42 2.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.612 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 86.4 mtt-85 -77.42 -40.45 43.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.622 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 69.18 69.36 1.4 Allowed Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.929 -0.869 . . . . 0.0 110.929 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.416 ' O ' ' OXT' ' A' ' 79' ' ' ALA . 78.1 Cg_exo -46.82 110.21 0.27 Allowed 'Trans proline' 0 C--N 1.306 -1.666 0 C-N-CA 122.793 2.328 . . . . 0.0 112.074 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.416 ' OXT' ' O ' ' A' ' 78' ' ' PRO . . . . . . . . 0 C--O 1.221 -0.444 0 CA-C-O 118.001 -0.999 . . . . 0.0 110.526 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.465 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 3.0 pt20 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.796 0.331 . . . . 0.0 110.551 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -50.49 -60.03 3.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.526 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -48.99 -34.39 12.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.658 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.465 ' HB3' ' O ' ' A' ' 6' ' ' GLN . . . -66.31 -66.69 0.52 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.783 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.497 HG13 ' N ' ' A' ' 11' ' ' LEU . 6.9 p -59.54 -44.36 92.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.645 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.497 ' N ' HG13 ' A' ' 10' ' ' VAL . 77.0 mt -54.87 -59.77 4.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.428 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -55.57 -46.09 77.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.508 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 38.7 tp60 -56.56 -43.81 80.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.494 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -65.13 -53.14 49.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.466 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 26.8 mmm-85 -50.8 -50.77 55.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.456 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 53.9 ttm-85 -61.69 -61.12 2.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.567 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -43.93 -45.51 7.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.477 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 17.1 mtp-105 -62.19 -53.01 61.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.505 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -49.43 -63.74 1.01 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.498 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.512 ' N ' HD12 ' A' ' 20' ' ' LEU . 9.1 mp -51.53 -64.03 0.94 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.379 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -42.06 -39.43 1.95 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.692 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.1 tp -66.78 -41.36 87.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.359 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.421 ' N ' ' O ' ' A' ' 20' ' ' LEU . 43.5 mtp85 -64.85 -44.02 91.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.365 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 45.7 mt -65.36 -38.06 81.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.458 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.74 -51.59 64.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.542 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 -64.75 -32.44 74.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.427 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 9.3 t -74.62 -59.65 2.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.695 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -59.16 -26.01 64.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.569 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -81.7 -40.35 22.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.586 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -78.15 -24.9 47.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.684 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.6 mt 46.02 66.77 0.87 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.355 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.404 ' C ' ' H ' ' A' ' 34' ' ' ASP . 95.5 mt -120.92 -41.97 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.312 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.0 m -74.02 44.26 0.18 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.539 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.404 ' H ' ' C ' ' A' ' 32' ' ' ILE . 17.6 t70 -45.61 -26.07 0.55 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.578 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -58.95 -36.94 75.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.563 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.9 -52.51 49.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.539 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 70.1 mm-40 -57.63 -50.56 72.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.575 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.35 -50.92 68.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.491 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -57.73 -59.0 5.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.583 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 17.4 mt -49.3 -43.36 43.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.517 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' A' ' 45' ' ' SER . . . -66.91 -53.61 30.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.561 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.7 mt -55.29 -33.06 62.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.59 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 60.1 ttt-85 -80.74 -40.29 25.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.506 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.437 ' O ' ' O ' ' A' ' 45' ' ' SER . 16.9 ttp85 -79.27 -15.66 57.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.326 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.479 ' N ' ' O ' ' A' ' 41' ' ' ALA . 60.2 m -54.05 -166.38 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.634 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.526 HD22 ' N ' ' A' ' 46' ' ' LEU . 3.8 mm? -57.24 -12.67 2.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.471 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -77.72 21.37 0.3 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.606 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.417 ' H ' ' C ' ' A' ' 46' ' ' LEU . 24.8 t -81.2 10.8 4.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.602 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -65.67 156.28 83.4 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.269 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -69.69 178.77 4.2 Favored 'Trans proline' 0 C--N 1.307 -1.607 0 C-N-CA 122.605 2.203 . . . . 0.0 111.968 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.443 ' O ' HG23 ' A' ' 51' ' ' VAL . 33.9 m -106.64 126.93 62.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.576 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 21.8 t -91.24 137.7 32.16 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.546 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -133.1 109.96 9.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.583 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.419 ' OD1' ' O ' ' A' ' 54' ' ' ASN . 18.6 p30 -174.84 74.08 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.543 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -158.45 53.91 0.44 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.532 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 76.32 29.42 58.34 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.609 HG23 ' O ' ' A' ' 57' ' ' THR . 6.9 t -125.14 107.08 10.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.88 0.371 . . . . 0.0 110.558 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 59.5 mtm180 -116.03 150.41 45.04 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.34 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -68.55 179.73 2.89 Favored 'Trans proline' 0 N--CA 1.494 1.505 0 C-N-CA 122.516 2.144 . . . . 0.0 111.992 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 33.9 tptt -171.49 113.03 0.35 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.647 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.622 ' SD ' ' N ' ' A' ' 61' ' ' MET . 0.0 OUTLIER -81.04 145.92 30.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.702 -179.944 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.424 ' O ' ' N ' ' A' ' 65' ' ' GLN . 1.4 p -102.38 149.6 36.81 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.304 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -38.55 -37.22 0.7 Allowed 'Trans proline' 0 C--N 1.311 -1.41 0 C-N-CA 122.44 2.094 . . . . 0.0 112.206 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 60.1 tt0 -66.62 -40.43 88.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.571 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.424 ' N ' ' O ' ' A' ' 62' ' ' THR . 14.5 mm100 -56.26 -58.4 8.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.574 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 37.8 mtm -61.65 -53.78 51.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.611 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -49.74 -53.99 21.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.587 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 49.7 tttm -54.04 -51.82 62.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.549 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 88.4 mt-10 -55.35 -51.07 67.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.517 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 24.7 mtt -54.66 -63.31 1.19 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.574 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 31.4 m -52.99 -44.48 67.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.617 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.413 ' O ' ' OE2' ' A' ' 72' ' ' GLU . 5.0 tm-20 -60.52 -33.0 72.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.565 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -80.88 -53.43 6.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.543 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 34.6 mt -66.6 -13.22 60.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.61 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 8.3 t -160.26 145.31 14.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.663 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 88.7 mtt180 -79.51 -59.5 2.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.617 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.418 ' C ' ' H ' ' A' ' 79' ' ' ALA . . . -75.38 170.36 54.48 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -73.09 20.27 0.34 Allowed 'Trans proline' 0 C--N 1.305 -1.728 0 C-N-CA 122.862 2.375 . . . . 0.0 112.103 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.418 ' H ' ' C ' ' A' ' 77' ' ' GLY . . . . . . . . 0 C--O 1.22 -0.45 0 CA-C-O 118.012 -0.994 . . . . 0.0 110.551 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.429 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 46.8 tt0 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.726 0.298 . . . . 0.0 110.615 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -49.2 -60.34 2.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.642 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -50.47 -34.45 24.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.658 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.429 ' HB3' ' O ' ' A' ' 6' ' ' GLN . . . -67.03 -67.11 0.48 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.794 -179.724 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.501 HG13 ' N ' ' A' ' 11' ' ' LEU . 7.2 p -58.53 -43.27 86.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.815 -179.664 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.501 ' N ' HG13 ' A' ' 10' ' ' VAL . 84.1 mt -57.26 -58.88 6.3 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.394 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 -53.7 -48.74 69.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.41 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 53.5 tp60 -51.81 -43.07 62.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.392 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -65.78 -47.56 74.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.567 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 60.0 mtt-85 -50.99 -55.89 15.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.435 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 64.5 mtp85 -61.08 -57.61 11.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.518 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -40.51 -47.37 2.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.689 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -68.04 -53.08 28.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.534 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -54.57 -58.78 6.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.627 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.463 ' N ' HD12 ' A' ' 20' ' ' LEU . 9.8 mp -56.44 -61.05 2.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.486 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -43.61 -38.51 3.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.613 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 17.7 tp -68.81 -44.02 74.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.309 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 33.9 mtp85 -59.54 -54.01 51.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.385 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 16.0 mt -58.46 -46.21 89.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.499 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.43 -58.34 7.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.893 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.37 -23.05 66.88 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.111 -179.446 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 18.8 t -67.79 -61.13 2.02 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.908 0.385 . . . . 0.0 110.056 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -60.7 -39.84 89.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.981 179.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.75 -38.24 87.24 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.71 -179.542 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -85.26 -19.19 31.98 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.8 mt 50.97 68.47 0.78 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.025 0.441 . . . . 0.0 110.045 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.489 ' O ' ' C ' ' A' ' 33' ' ' SER . 96.2 mt -131.1 -51.97 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.484 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.489 ' C ' ' O ' ' A' ' 32' ' ' ILE . 0.8 OUTLIER 26.5 60.15 0.08 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.466 179.725 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -45.96 -38.22 7.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.656 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -47.19 -51.43 18.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.629 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.11 -53.99 45.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.616 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 81.9 mm-40 -52.39 -43.29 64.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.589 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.47 -51.22 69.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.603 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -54.59 -59.76 4.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.581 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 32.6 mt -52.0 -41.25 62.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.554 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.95 -58.74 7.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.596 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 17.5 mt -52.18 -37.74 55.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.51 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 63.1 ttt180 -70.51 -48.13 57.1 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.575 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 31.3 ttm-85 -59.88 -16.18 27.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.733 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 11.8 t -71.46 124.97 25.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.7 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.481 ' C ' ' H ' ' A' ' 48' ' ' SER . 7.2 tp -67.36 -33.11 74.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.498 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -72.33 14.77 0.21 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.595 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.481 ' H ' ' C ' ' A' ' 46' ' ' LEU . 7.7 t -66.93 -43.41 83.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.543 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -80.49 147.24 63.23 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.397 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -69.42 177.79 5.0 Favored 'Trans proline' 0 C--N 1.309 -1.521 0 C-N-CA 122.494 2.129 . . . . 0.0 111.956 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.409 HG22 ' H ' ' A' ' 51' ' ' VAL . 9.3 m -87.26 140.98 14.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.567 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.3 t -84.8 139.46 31.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.565 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -133.14 144.84 50.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.514 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -73.29 97.89 2.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.605 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 51.0 t0 -81.18 5.85 15.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.482 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' A' ' 57' ' ' THR . . . 75.23 15.26 81.25 Favored Glycine 0 CA--C 1.521 0.43 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.413 ' O ' ' O ' ' A' ' 56' ' ' GLY . 17.2 p 39.38 93.13 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.863 0.363 . . . . 0.0 110.933 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.52 ' O ' ' O ' ' A' ' 59' ' ' PRO . 93.1 mtt180 -85.67 149.27 50.94 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.393 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.52 ' O ' ' O ' ' A' ' 58' ' ' ARG . 80.9 Cg_exo -40.33 174.58 0.0 OUTLIER 'Trans proline' 0 C--N 1.311 -1.416 0 C-N-CA 122.84 2.36 . . . . 0.0 112.35 179.684 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.4 mttp -106.03 39.38 1.8 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.261 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.602 ' SD ' ' N ' ' A' ' 61' ' ' MET . 0.0 OUTLIER -91.82 111.03 22.4 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.548 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 12.9 p -80.53 149.39 68.23 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.431 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -38.84 -44.54 2.4 Favored 'Trans proline' 0 C--N 1.31 -1.496 0 C-N-CA 122.666 2.244 . . . . 0.0 112.292 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.515 ' OE2' ' NZ ' ' A' ' 68' ' ' LYS . 3.9 tp10 -59.66 -48.72 80.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.717 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -55.39 -67.65 0.26 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.717 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.577 ' SD ' ' N ' ' A' ' 67' ' ' ALA . 3.2 ppp? -52.54 -30.22 29.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.79 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.577 ' N ' ' SD ' ' A' ' 66' ' ' MET . . . -72.96 -49.59 28.39 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.637 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.515 ' NZ ' ' OE2' ' A' ' 64' ' ' GLU . 47.4 mttp -67.29 -33.0 74.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.406 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 57.9 mm-40 -70.07 -59.01 3.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.757 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.469 ' CG ' ' N ' ' A' ' 71' ' ' SER . 9.3 ptt? -61.06 -42.49 98.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.651 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.469 ' N ' ' CG ' ' A' ' 70' ' ' MET . 70.0 m -60.74 -52.94 62.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.668 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -61.82 -31.63 71.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.674 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -76.58 -45.94 28.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.688 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.475 ' O ' ' N ' ' A' ' 76' ' ' ARG . 16.7 mt -78.09 -7.81 57.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.648 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 58.7 m -53.5 87.52 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.676 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.475 ' N ' ' O ' ' A' ' 74' ' ' LEU . 57.3 mtt-85 -80.79 -102.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.521 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -64.67 -67.33 2.08 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -72.65 152.76 53.91 Favored 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.812 2.341 . . . . 0.0 112.029 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.218 -0.562 0 CA-C-O 118.05 -0.976 . . . . 0.0 110.595 179.962 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 30.5 tp60 . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.872 0.368 . . . . 0.0 110.454 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 19.4 mm-40 -63.08 -60.47 3.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.472 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.422 ' O ' ' OE1' ' A' ' 12' ' ' GLU . 10.6 tp60 -50.15 -32.09 15.23 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.671 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.18 -63.51 1.05 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.066 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.7 p -64.16 -30.54 50.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.726 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 11' ' ' LEU . 65.5 mt -67.82 -64.62 0.82 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.544 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.422 ' OE1' ' O ' ' A' ' 8' ' ' GLN . 7.8 pt-20 -56.22 -38.76 71.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.803 0.335 . . . . 0.0 110.589 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.41 ' N ' ' CG ' ' A' ' 12' ' ' GLU . 35.4 tp60 -61.48 -46.56 89.52 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.387 179.765 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 42.4 mm-40 -62.07 -52.93 61.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.286 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 37.5 mtp180 -50.84 -45.89 59.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.372 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 33.4 ttm180 -62.56 -58.67 6.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.475 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -42.37 -44.89 4.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.546 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 85.6 mtt180 -64.6 -51.72 61.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.396 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -47.26 -59.15 3.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.402 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.519 ' N ' HD12 ' A' ' 20' ' ' LEU . 8.6 mp -55.7 -62.77 1.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.225 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -40.61 -38.94 0.95 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.58 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.6 tp -67.02 -48.14 69.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.074 179.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 29.3 mtp180 -57.69 -57.46 12.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.012 179.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.498 ' O ' ' N ' ' A' ' 27' ' ' SER . 14.1 mt -49.26 -55.62 3.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.812 179.688 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -45.38 -49.94 12.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.011 179.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 62.1 mt-30 -66.52 -21.76 66.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.162 179.475 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.498 ' N ' ' O ' ' A' ' 24' ' ' ILE . 4.0 t -76.2 -48.81 19.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.129 179.791 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -69.26 -28.06 65.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.028 179.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -79.33 -38.15 35.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.791 -179.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -80.06 -25.15 40.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.885 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.1 mt 43.22 67.55 0.62 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.394 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.419 ' C ' ' H ' ' A' ' 34' ' ' ASP . 86.6 mt -117.1 -53.17 4.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.379 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 35' ' ' GLU . 5.4 m -76.03 39.42 0.18 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.509 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.419 ' H ' ' C ' ' A' ' 32' ' ' ILE . 9.9 t0 -45.05 -19.79 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.573 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 33' ' ' SER . 68.1 tt0 -61.22 -46.55 89.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.536 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.49 -50.11 74.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.531 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 81.0 mm-40 -54.49 -47.01 73.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.559 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.61 -57.82 11.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.356 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.414 ' OD1' ' O ' ' A' ' 35' ' ' GLU . 1.8 m-20 -48.16 -53.75 15.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.506 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.7 mt -55.56 -44.16 76.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.449 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.61 -51.3 70.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.606 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 33.7 mt -65.85 -39.04 90.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.537 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 45.0 ttm-85 -70.74 -24.92 62.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.477 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 45.0 ttt180 -80.02 -26.43 39.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.396 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 20.8 t -71.92 99.62 2.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.489 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.486 ' C ' ' H ' ' A' ' 48' ' ' SER . 5.5 tp -69.9 -24.95 63.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.509 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -74.76 24.83 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.586 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.486 ' H ' ' C ' ' A' ' 46' ' ' LEU . 8.4 t -63.07 -93.11 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.585 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.402 ' CD1' ' OG ' ' A' ' 48' ' ' SER . 0.1 OUTLIER -77.9 161.55 70.8 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.264 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -70.34 178.15 5.24 Favored 'Trans proline' 0 C--N 1.308 -1.567 0 C-N-CA 122.625 2.217 . . . . 0.0 112.014 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 70.0 t -86.41 114.35 25.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.589 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.9 m -107.11 107.99 19.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.597 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 83.5 mttt -87.0 110.03 19.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.591 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 10.6 m-20 -99.24 78.23 2.21 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.485 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -63.4 -11.22 21.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.615 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 77.13 21.98 72.27 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 16.3 p -148.75 87.59 1.57 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.812 0.339 . . . . 0.0 110.461 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 66.6 mtp180 -76.79 150.19 81.31 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.377 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_endo -69.58 -178.99 2.53 Favored 'Trans proline' 0 C--N 1.31 -1.484 0 C-N-CA 122.494 2.129 . . . . 0.0 111.972 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 39.4 pttt -135.93 126.19 26.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.595 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.561 ' SD ' ' N ' ' A' ' 61' ' ' MET . 0.0 OUTLIER -105.3 115.19 29.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.569 -179.945 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.9 p -78.59 150.55 76.33 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.283 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_exo -37.35 -40.1 0.71 Allowed 'Trans proline' 0 C--N 1.31 -1.451 0 C-N-CA 122.623 2.215 . . . . 0.0 112.35 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -66.97 -44.32 80.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.651 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -59.19 -64.4 0.95 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.733 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.598 ' SD ' ' N ' ' A' ' 67' ' ' ALA . 3.3 ppp? -54.77 -41.3 70.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.661 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.598 ' N ' ' SD ' ' A' ' 66' ' ' MET . . . -59.97 -46.2 90.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.529 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -63.85 -40.5 96.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.547 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -61.13 -54.8 39.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.541 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 67.6 mtp -56.11 -51.56 67.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.556 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 59.5 p -60.6 -37.24 80.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.591 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -73.54 -29.53 62.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.637 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 48.5 t80 -80.28 -65.57 0.99 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.696 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 38.2 mt -48.23 -38.63 18.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.496 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.5 t -103.28 -162.62 0.92 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.502 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 47.4 ttt85 -162.38 -53.06 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.525 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.407 ' H ' ' HD3' ' A' ' 78' ' ' PRO . . . 165.64 61.41 0.03 OUTLIER Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.407 ' HD3' ' H ' ' A' ' 77' ' ' GLY . 70.4 Cg_endo -76.05 57.1 5.09 Favored 'Trans proline' 0 C--N 1.306 -1.687 0 C-N-CA 122.82 2.347 . . . . 0.0 111.969 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 118.017 -0.992 . . . . 0.0 110.565 179.951 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.493 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 2.0 pm0 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.845 0.355 . . . . 0.0 110.567 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 21.2 mm100 -42.94 -60.44 1.61 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.621 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.7 mm-40 -49.79 -33.04 15.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.701 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.493 ' HB3' ' O ' ' A' ' 6' ' ' GLN . . . -69.7 -60.7 2.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.958 -179.703 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.5 p -65.99 -29.32 46.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.735 -179.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.409 ' HA ' HD23 ' A' ' 11' ' ' LEU . 59.8 mt -69.52 -62.38 1.4 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.699 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -59.86 -38.28 81.69 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.669 -179.692 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 72.2 tp60 -64.46 -44.49 90.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.576 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -62.42 -52.06 65.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.582 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 15.4 mmm180 -56.85 -46.52 81.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.509 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 56.9 mtt-85 -67.46 -33.65 75.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.454 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -61.62 -60.64 3.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.764 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.4 ptp180 -61.11 -45.97 92.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.702 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -50.56 -63.3 1.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.427 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 8.9 mp -55.52 -59.03 5.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.314 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -45.81 -35.7 4.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.457 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.9 tp -73.8 -42.08 61.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.396 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 29.8 mtp85 -60.52 -47.18 87.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.465 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 19.0 mt -70.87 -39.94 75.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.506 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.58 -45.88 81.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.577 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 77.8 mm-40 -68.78 -36.86 78.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.54 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 31' ' ' LEU . 70.5 m -71.14 -57.3 4.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.734 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -58.72 -36.79 74.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.343 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.19 -38.98 75.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.142 179.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -79.56 -25.04 41.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.324 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' A' ' 27' ' ' SER . 3.4 tp 64.98 36.46 7.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.554 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.476 ' O ' ' C ' ' A' ' 33' ' ' SER . 96.7 mt -111.97 -48.58 6.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.556 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.476 ' C ' ' O ' ' A' ' 32' ' ' ILE . 0.7 OUTLIER 28.7 54.44 0.09 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.385 179.747 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -45.65 -27.83 0.87 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.637 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -55.46 -44.76 76.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.518 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.86 -46.67 89.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.555 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -56.45 -62.78 1.49 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.46 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -52.01 -47.72 64.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.599 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 52.1 t0 -54.04 -64.31 0.87 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.651 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 15.1 mt -46.18 -50.23 15.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.534 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.11 -44.66 87.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.558 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 17.7 mt -61.92 -33.6 74.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.493 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 44.9 ttt85 -78.64 -33.46 47.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.537 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 11.8 ttt180 -80.25 7.45 9.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.498 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.453 ' C ' ' N ' ' A' ' 47' ' ' ASP . 88.2 p -65.17 -20.13 66.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.936 -179.719 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.407 HD22 ' N ' ' A' ' 46' ' ' LEU . 4.2 mm? -52.54 -9.67 0.12 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.311 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.453 ' N ' ' C ' ' A' ' 45' ' ' SER . 31.5 p30 -78.26 2.8 17.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.494 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 87.8 p -112.64 72.61 0.78 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.546 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.554 ' N ' ' CD1' ' A' ' 49' ' ' TYR . 0.1 OUTLIER -72.1 158.5 87.5 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.272 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_endo -70.17 177.77 5.52 Favored 'Trans proline' 0 C--N 1.308 -1.584 0 C-N-CA 122.531 2.154 . . . . 0.0 112.046 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.9 p -90.28 144.2 9.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.524 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 21.8 p -86.23 138.85 31.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.568 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.6 mtpm? -77.21 124.61 28.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.489 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.485 ' ND2' ' N ' ' A' ' 54' ' ' ASN . 1.6 m120 -66.63 102.99 0.99 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.694 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -82.21 22.24 0.84 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.523 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 81.78 10.63 83.91 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 15.4 p -81.21 68.48 7.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.881 0.372 . . . . 0.0 110.543 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 40.6 mtp85 -98.07 147.73 33.49 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.373 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -68.64 177.58 4.67 Favored 'Trans proline' 0 C--N 1.31 -1.497 0 C-N-CA 122.452 2.101 . . . . 0.0 112.021 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.1 ttmp? 74.77 101.62 0.07 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.328 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.557 ' SD ' ' N ' ' A' ' 61' ' ' MET . 0.9 OUTLIER -100.84 119.01 38.04 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.548 -179.909 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 16.6 p -79.76 146.87 65.55 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.346 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_exo -37.81 -40.97 1.06 Allowed 'Trans proline' 0 C--N 1.31 -1.494 0 C-N-CA 122.541 2.16 . . . . 0.0 112.223 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -67.24 -45.32 77.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.743 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -60.44 -62.84 1.57 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.621 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 18.9 ptm -54.18 -43.97 71.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.504 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -56.58 -47.48 79.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.49 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.413 ' NZ ' ' CB ' ' A' ' 68' ' ' LYS . 9.7 mtpm? -66.83 -60.13 2.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.516 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.407 ' O ' ' N ' ' A' ' 73' ' ' PHE . 88.4 mt-10 -47.09 -49.74 21.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.489 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 28.8 mtt -57.52 -61.24 2.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.51 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 40.8 m -54.84 -31.52 59.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.511 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -80.32 -30.64 38.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.575 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.407 ' N ' ' O ' ' A' ' 69' ' ' GLU . 33.9 t80 -78.54 -48.81 14.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.544 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 19.2 mt -57.77 -32.9 67.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.47 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 92.0 p -46.58 148.32 1.01 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.532 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 15.8 tpp180 -165.21 127.31 2.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.625 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 53.82 70.13 1.03 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -47.26 129.16 15.46 Favored 'Trans proline' 0 C--N 1.306 -1.7 0 C-N-CA 122.775 2.317 . . . . 0.0 112.133 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.52 0 CA-C-O 118.037 -0.983 . . . . 0.0 110.612 -179.996 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.433 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 17.3 pt20 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.808 0.337 . . . . 0.0 110.698 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.412 HE21 HD11 ' A' ' 11' ' ' LEU . 7.8 mt-30 -50.84 -60.28 3.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.537 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.2 mm-40 -48.34 -35.52 12.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.686 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' A' ' 6' ' ' GLN . . . -66.0 -67.1 0.47 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.791 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.514 HG13 ' N ' ' A' ' 11' ' ' LEU . 6.4 p -58.7 -46.51 90.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.563 -179.766 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.514 ' N ' HG13 ' A' ' 10' ' ' VAL . 83.5 mt -52.44 -59.32 4.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.804 0.335 . . . . 0.0 110.311 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 51.8 mm-40 -54.62 -47.33 73.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.527 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 29.4 tp60 -54.38 -44.01 71.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.417 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -62.94 -42.55 99.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.185 179.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 18.2 mmm-85 -57.09 -43.72 82.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.213 179.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 23.6 mmt180 -66.54 -63.72 1.01 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.462 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -41.4 -43.64 2.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.879 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.6 mmp_? -68.11 -48.21 66.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.774 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -60.31 -49.77 76.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.885 0.374 . . . . 0.0 110.361 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.6 mt -57.59 -62.51 1.74 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.416 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -47.92 -37.28 13.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.568 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.5 tp -68.29 -38.17 81.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.52 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 39.8 mtp180 -66.42 -47.79 72.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.503 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 37.5 mt -64.59 -38.42 82.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.541 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.3 -45.73 86.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.584 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -69.72 -31.56 69.64 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.382 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 9.3 t -74.16 -54.63 7.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.576 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -64.08 -31.65 72.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.455 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -74.15 -43.34 57.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.599 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -75.96 -24.88 55.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.516 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.2 tp 49.43 42.59 22.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.836 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.449 ' O ' ' N ' ' A' ' 34' ' ' ASP . 62.1 mt -97.06 -14.53 7.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.393 179.781 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.6 m -66.69 66.83 0.06 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.536 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 32' ' ' ILE . 2.8 p30 -55.55 -37.78 68.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.595 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -44.92 -42.4 8.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.571 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.07 -45.96 89.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.556 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -58.42 -45.94 87.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.593 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.12 -54.26 47.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.488 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -53.31 -64.86 0.68 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.608 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 12.6 mt -44.58 -50.44 9.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.572 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.35 -41.9 80.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.344 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 15.1 mt -69.21 -21.34 63.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.373 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 34.2 ttm180 -79.86 -57.8 3.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.425 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.1 ptp85 -64.2 -18.46 64.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.662 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 25.9 t -43.81 148.61 0.36 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.72 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.523 ' C ' ' H ' ' A' ' 48' ' ' SER . 4.1 tp -70.27 -15.91 62.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.555 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 50.3 p-10 -71.07 18.89 0.06 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.711 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.523 ' H ' ' C ' ' A' ' 46' ' ' LEU . 35.4 t -124.61 8.83 8.3 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.44 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -73.21 155.87 89.7 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.211 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -69.43 177.65 5.15 Favored 'Trans proline' 0 C--N 1.308 -1.563 0 C-N-CA 122.501 2.134 . . . . 0.0 112.004 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 52.9 t -117.3 131.24 70.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.371 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.9 m -75.77 138.41 41.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.58 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 61.5 mttt -132.94 162.63 31.12 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.49 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 38.0 t-20 -60.5 100.4 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.598 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -79.54 -48.31 14.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.5 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 80.53 35.37 26.05 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.426 HG22 ' H ' ' A' ' 57' ' ' THR . 0.0 OUTLIER -69.09 92.38 0.53 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.854 0.359 . . . . 0.0 110.587 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 44.7 mtp180 -68.32 146.65 98.03 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.317 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -69.22 177.71 4.94 Favored 'Trans proline' 0 N--CA 1.494 1.528 0 C-N-CA 122.437 2.092 . . . . 0.0 111.964 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 50.0 pttt -111.26 161.0 16.47 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.579 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 12.2 tpp -109.02 151.59 26.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.434 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.2 p -87.26 134.72 35.84 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.601 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_exo -41.87 -37.34 4.09 Favored 'Trans proline' 0 N--CA 1.491 1.347 0 C-N-CA 122.349 2.032 . . . . 0.0 112.205 179.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 48.7 tt0 -59.1 -56.77 17.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.57 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -52.41 -62.89 1.35 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.567 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 37.7 mtm -47.49 -50.07 24.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.489 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -52.26 -55.24 22.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.517 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.4 mtpm? -62.71 -57.96 9.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.552 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -44.97 -47.79 11.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.471 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 33.3 mtt -61.41 -54.71 39.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.466 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 24.2 p -50.22 -42.62 51.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.643 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -73.67 -30.3 62.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.526 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 62.3 t80 -75.33 -60.99 2.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.608 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 34.0 mt -49.25 -21.48 0.83 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.401 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 10.7 t -78.21 -145.95 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.509 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.522 ' N ' ' CD ' ' A' ' 76' ' ' ARG . 1.3 mpt_? -78.14 -61.85 1.87 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.514 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 61.53 172.18 1.09 Allowed Glycine 0 CA--C 1.526 0.776 0 N-CA-C 110.861 -0.896 . . . . 0.0 110.861 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -74.03 105.68 2.07 Favored 'Trans proline' 0 C--N 1.306 -1.675 0 C-N-CA 122.797 2.331 . . . . 0.0 112.042 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 118.032 -0.985 . . . . 0.0 110.558 -179.998 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.457 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 12.3 pt20 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.831 0.348 . . . . 0.0 110.456 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -45.94 -59.99 2.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.543 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -49.19 -35.34 16.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.687 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.457 ' HB3' ' O ' ' A' ' 6' ' ' GLN . . . -66.77 -66.92 0.49 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.481 HG13 ' N ' ' A' ' 11' ' ' LEU . 6.1 p -57.87 -45.1 87.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.687 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.481 ' N ' HG13 ' A' ' 10' ' ' VAL . 78.9 mt -54.92 -56.36 20.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.35 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -56.21 -47.16 78.94 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.532 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 49.3 tp60 -53.66 -41.29 66.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.511 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -67.02 -51.95 48.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.441 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 10.5 mmm180 -49.66 -57.09 7.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.43 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 56.9 ttt180 -60.71 -55.44 33.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.522 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -43.92 -46.61 8.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.706 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 -64.53 -52.96 55.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.647 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -47.08 -63.3 1.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.584 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.542 ' N ' HD12 ' A' ' 20' ' ' LEU . 8.5 mp -55.76 -62.79 1.46 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.427 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -41.69 -40.81 2.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.574 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.4 tp -67.25 -41.84 84.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.353 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.415 ' N ' ' O ' ' A' ' 20' ' ' LEU . 31.8 mtp85 -62.53 -46.28 89.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.43 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 32.6 mt -64.32 -38.78 83.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.409 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.5 -53.46 54.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.612 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -62.75 -32.03 73.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.499 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 16.5 t -74.26 -58.17 3.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.691 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.517 ' O ' ' CD2' ' A' ' 31' ' ' LEU . 1.5 pp20? -62.88 -20.82 65.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.672 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -87.74 -36.34 17.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.922 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -91.75 -20.42 21.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.053 -179.619 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.517 ' CD2' ' O ' ' A' ' 28' ' ' GLU . 3.0 mm? 54.58 25.06 5.91 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.635 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 55.1 mt -82.26 -37.34 14.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.326 179.619 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 58.1 m -83.62 49.68 1.64 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.491 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -59.31 -27.11 65.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.628 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.43 ' CG ' ' N ' ' A' ' 36' ' ' ALA . 14.9 pt-20 -58.06 -42.9 86.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.493 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.43 ' N ' ' CG ' ' A' ' 35' ' ' GLU . . . -63.11 -60.6 3.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.465 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 90.1 mm-40 -48.66 -50.24 33.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.51 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -53.98 -65.49 0.56 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.437 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.428 ' O ' ' N ' ' A' ' 43' ' ' ARG . 26.6 t70 -45.73 -51.74 12.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.54 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 20.2 mt -55.78 -40.28 72.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.428 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.13 -52.94 29.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.714 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 40.3 mt -68.61 -20.76 64.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.502 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.428 ' N ' ' O ' ' A' ' 39' ' ' ASP . 63.1 ttt180 -82.44 -52.96 6.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.567 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 28.3 ptt85 -67.98 -5.15 15.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.533 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.9 p -43.5 130.65 5.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.485 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.444 HD13 ' O ' ' A' ' 46' ' ' LEU . 0.1 OUTLIER -59.41 -43.66 92.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.373 -179.759 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.683 ' O ' ' N ' ' A' ' 49' ' ' TYR . 8.9 m-20 -61.84 -30.51 70.89 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.283 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.509 ' OG ' ' CE1' ' A' ' 49' ' ' TYR . 27.9 t 40.33 -80.34 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.116 179.83 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.683 ' N ' ' O ' ' A' ' 47' ' ' ASP . 0.4 OUTLIER -105.67 149.51 38.0 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.275 -179.876 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -68.47 179.07 3.24 Favored 'Trans proline' 0 N--CA 1.494 1.505 0 C-N-CA 122.417 2.078 . . . . 0.0 111.854 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.7 p -77.71 152.57 5.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.643 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.5 p -131.17 130.44 43.03 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.468 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 51.2 mttp -73.02 170.05 15.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.564 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.503 ' C ' ' H ' ' A' ' 56' ' ' GLY . 23.4 m-20 60.62 23.66 13.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.566 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.5 t70 68.61 -10.19 0.49 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.589 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.503 ' H ' ' C ' ' A' ' 54' ' ' ASN . . . 83.47 19.61 61.81 Favored Glycine 0 CA--C 1.522 0.505 0 N-CA-C 110.474 -1.05 . . . . 0.0 110.474 -179.741 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.5 m -38.66 96.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.853 0.359 . . . . 0.0 110.941 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.517 ' O ' ' O ' ' A' ' 59' ' ' PRO . 41.5 mtm180 -85.01 148.26 50.17 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.203 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.517 ' O ' ' O ' ' A' ' 58' ' ' ARG . 81.1 Cg_exo -40.19 175.09 0.0 OUTLIER 'Trans proline' 0 C--N 1.311 -1.419 0 C-N-CA 122.74 2.293 . . . . 0.0 112.45 179.616 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 17.6 pttp -102.28 -170.26 1.79 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.529 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 14.3 ptt? -122.66 123.24 40.68 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.575 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.494 ' O ' ' N ' ' A' ' 65' ' ' GLN . 1.4 p -80.91 149.52 67.18 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.309 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.4 ' O ' ' HB2' ' A' ' 67' ' ' ALA . 85.1 Cg_exo -37.98 -37.84 0.65 Allowed 'Trans proline' 0 C--N 1.311 -1.419 0 C-N-CA 122.495 2.13 . . . . 0.0 112.185 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 75.9 tt0 -67.66 -36.13 80.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.408 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.494 ' N ' ' O ' ' A' ' 62' ' ' THR . 21.1 mm100 -63.92 -65.98 0.61 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.562 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 2.4 ptp -55.89 -39.71 71.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.492 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.4 ' HB2' ' O ' ' A' ' 63' ' ' PRO . . . -56.88 -48.86 77.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.622 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 50.7 tttm -65.63 -53.99 33.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.534 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -55.19 -51.41 66.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.634 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 51.3 mtp -56.2 -63.49 1.17 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.607 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 14.3 t -48.75 -32.33 8.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.522 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -72.43 -39.7 67.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.559 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -67.7 -50.27 58.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.614 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.413 ' O ' ' O ' ' A' ' 75' ' ' SER . 33.7 mt -63.12 -22.71 67.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.444 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.413 ' O ' ' O ' ' A' ' 74' ' ' LEU . 11.3 t 48.61 98.65 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.658 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 37.9 mmm-85 -57.77 -32.49 67.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.559 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.04 59.43 3.66 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -73.93 122.22 7.53 Favored 'Trans proline' 0 C--N 1.306 -1.677 0 C-N-CA 122.805 2.337 . . . . 0.0 112.034 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.511 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.591 179.98 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.448 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 56.0 tt0 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.849 0.357 . . . . 0.0 110.545 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 62.9 mm-40 -42.95 -60.21 1.7 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.641 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 -50.04 -37.11 31.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.595 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.448 ' HB3' ' O ' ' A' ' 6' ' ' GLN . . . -65.71 -67.09 0.47 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.797 -179.756 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.52 HG13 ' N ' ' A' ' 11' ' ' LEU . 6.2 p -56.95 -47.58 83.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.746 -179.732 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.52 ' N ' HG13 ' A' ' 10' ' ' VAL . 86.4 mt -53.39 -60.48 3.24 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.904 -0.318 . . . . 0.0 110.469 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -54.25 -42.15 69.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.557 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 62.6 tp60 -62.98 -46.88 85.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.586 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -58.45 -56.4 22.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.516 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 76.0 mtt180 -50.78 -54.03 26.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.473 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 27.7 ttp180 -58.74 -50.43 73.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.62 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -47.63 -50.87 23.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.577 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 51.6 mtm180 -62.15 -48.46 79.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.636 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -49.13 -65.86 0.5 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.556 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.511 ' N ' HD12 ' A' ' 20' ' ' LEU . 8.4 mp -54.19 -60.58 3.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.529 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -41.78 -38.17 1.42 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.552 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.7 tp -71.56 -44.3 64.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.384 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.0 mtm180 -60.5 -51.19 70.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.455 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 17.2 mt -63.18 -42.41 96.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.372 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.25 -42.4 99.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.492 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 87.1 mm-40 -72.2 -32.4 66.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.361 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.7 t -72.06 -55.12 7.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.46 179.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.405 ' CD ' ' N ' ' A' ' 29' ' ' ALA . 2.0 pp20? -62.79 -37.28 86.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.3 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.405 ' N ' ' CD ' ' A' ' 28' ' ' GLU . . . -67.15 -43.9 81.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.378 179.805 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.2 mm-40 -76.03 -25.07 55.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.295 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.2 tp 69.95 40.7 1.23 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.63 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.503 ' O ' ' C ' ' A' ' 33' ' ' SER . 87.5 mt -104.15 -58.12 4.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.455 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.503 ' C ' ' O ' ' A' ' 32' ' ' ILE . 0.7 OUTLIER 26.21 56.01 0.05 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.473 179.716 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.414 ' N ' ' OD1' ' A' ' 34' ' ' ASP . 25.4 p-10 -44.86 -36.42 3.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.655 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 45.4 tp10 -47.82 -54.06 13.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.607 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.18 -54.54 20.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.612 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 67.3 mm-40 -54.26 -59.92 4.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.602 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.1 -56.92 10.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.575 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -46.74 -66.29 0.43 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.551 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 17.3 mt -48.08 -47.98 33.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.497 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.89 -40.01 79.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.592 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 16.8 mt -75.84 -20.09 58.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.522 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 26.9 ttm105 -77.51 -42.48 35.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.477 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -80.94 0.96 33.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.627 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 97.7 p -45.43 118.36 1.72 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.573 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.563 ' H ' HD23 ' A' ' 46' ' ' LEU . 0.1 OUTLIER -77.72 -48.74 15.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.494 -179.916 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 35.3 t0 -66.56 -17.9 65.07 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.552 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.416 ' O ' ' OG ' ' A' ' 48' ' ' SER . 15.9 t 50.79 31.78 6.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.559 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 18.1 p90 -70.33 146.27 94.19 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.277 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -69.22 177.26 5.38 Favored 'Trans proline' 0 C--N 1.311 -1.434 0 C-N-CA 122.432 2.088 . . . . 0.0 112.081 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 74.3 t -100.26 112.77 33.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.536 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 45.7 t -78.25 107.82 11.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.483 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.402 ' O ' ' OD1' ' A' ' 54' ' ' ASN . 10.8 pttp -101.27 169.89 8.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.616 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.402 ' OD1' ' O ' ' A' ' 53' ' ' LYS . 8.0 m120 -153.1 70.41 0.87 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.508 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -44.01 -30.54 0.74 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.562 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 71.51 31.04 65.89 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.836 -0.906 . . . . 0.0 110.836 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 17.0 p -148.18 75.37 1.33 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.881 0.372 . . . . 0.0 110.457 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 60.6 mtt-85 -61.94 147.45 89.88 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.403 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -68.93 -178.93 2.24 Favored 'Trans proline' 0 N--CA 1.494 1.517 0 C-N-CA 122.457 2.105 . . . . 0.0 111.931 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 46.7 pttt -141.26 162.29 35.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.504 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -79.91 127.41 32.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.341 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.8 p -88.89 148.3 40.98 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.516 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -40.15 -42.76 3.57 Favored 'Trans proline' 0 C--N 1.311 -1.405 0 C-N-CA 122.475 2.117 . . . . 0.0 112.087 179.658 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -64.95 -51.86 59.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.549 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -47.5 -53.99 12.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.523 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 60.5 mtm -63.39 -49.47 73.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.461 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -48.01 -50.42 27.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.546 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 62.9 tttt -64.31 -53.83 42.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.615 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -49.28 -47.95 46.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.589 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 56.7 mtt -61.96 -64.1 1.04 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.62 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 18.2 t -46.36 -35.94 5.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.643 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -79.15 -34.08 43.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.62 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -69.32 -56.93 6.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.6 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.412 ' H ' ' HG ' ' A' ' 74' ' ' LEU . 47.4 mt -49.61 -33.89 16.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.611 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.8 t -80.89 31.42 0.31 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.541 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.414 ' H ' ' H ' ' A' ' 77' ' ' GLY . 48.5 ttt180 -153.11 -15.69 0.15 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.544 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.414 ' H ' ' H ' ' A' ' 76' ' ' ARG . . . -43.46 -59.28 3.66 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -46.91 158.99 0.36 Allowed 'Trans proline' 0 C--N 1.306 -1.688 0 C-N-CA 122.818 2.346 . . . . 0.0 112.101 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 118.028 -0.986 . . . . 0.0 110.563 179.984 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.478 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 3.1 pt20 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.835 0.35 . . . . 0.0 110.552 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 23.0 mm100 -45.64 -60.5 2.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.627 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.8 tp60 -48.44 -33.88 10.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.883 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.478 ' HB3' ' O ' ' A' ' 6' ' ' GLN . . . -68.61 -64.41 0.87 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.969 -179.744 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 5.0 p -62.13 -30.61 49.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.723 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' A' ' 11' ' ' LEU . 59.0 mt -68.18 -66.63 0.54 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.598 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -56.22 -35.29 67.16 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.553 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 66.0 tp60 -63.87 -46.77 83.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.393 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -66.96 -56.68 9.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.534 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 77.6 mtt180 -48.3 -48.88 35.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.476 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 57.1 ttt180 -60.89 -62.05 2.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.57 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 36.5 t0 -41.56 -54.03 3.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.651 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 85.6 mtt-85 -56.35 -54.27 47.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.519 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -48.49 -67.75 0.24 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.534 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.469 ' N ' HD12 ' A' ' 20' ' ' LEU . 9.9 mp -45.18 -63.93 0.83 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.486 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -45.96 -36.94 5.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.629 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.2 tp -72.07 -40.09 68.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.527 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 25.1 mtm180 -63.76 -47.98 78.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.485 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 25.1 mt -67.79 -38.56 80.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.594 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.28 -44.37 71.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.639 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 77.4 mm-40 -67.03 -36.61 82.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.745 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 37.9 t -71.29 -57.92 4.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.755 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -59.95 -31.85 70.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.584 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.74 -45.77 60.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.59 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -79.35 -25.23 42.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.664 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.2 tp 48.8 40.3 15.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.822 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 64.5 mt -98.11 -59.85 3.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.874 0.369 . . . . 0.0 110.516 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.2 m -71.33 50.04 0.15 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.689 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -49.02 -30.04 5.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.373 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -54.07 -51.94 62.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.413 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.66 -60.59 3.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.478 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.406 ' HG2' ' H ' ' A' ' 37' ' ' GLN . 3.3 mm100 -44.93 -46.85 11.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.475 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.25 -45.25 93.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.539 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -59.38 -65.98 0.58 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.612 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.47 ' N ' HD12 ' A' ' 40' ' ' LEU . 10.2 mp -45.14 -44.86 11.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.399 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.97 -45.33 93.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.547 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 13.3 mt -67.23 -40.6 86.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.41 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 51.4 ttm-85 -67.43 -30.6 70.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.487 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 47.6 ttt180 -85.98 -38.07 18.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.409 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 66.4 m -98.85 78.47 2.31 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.569 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.537 ' C ' ' H ' ' A' ' 48' ' ' SER . 3.2 tp -70.35 -11.5 60.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.417 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -64.84 10.1 0.08 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.808 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.537 ' H ' ' C ' ' A' ' 46' ' ' LEU . 29.4 t -41.33 -49.83 3.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.644 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -79.34 146.9 67.45 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.406 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_endo -70.01 119.71 6.59 Favored 'Trans proline' 0 C--N 1.31 -1.461 0 C-N-CA 122.432 2.088 . . . . 0.0 111.912 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 75.5 t -81.46 131.9 32.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.528 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 40.0 m -131.13 122.96 27.57 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.478 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.469 ' NZ ' ' CB ' ' A' ' 53' ' ' LYS . 2.4 ttmp? -83.83 146.49 28.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.486 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -76.19 88.2 3.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.504 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.434 ' O ' ' OD1' ' A' ' 55' ' ' ASP . 34.3 t0 -56.99 -28.17 62.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.617 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 79.93 41.3 12.63 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -151.28 119.87 6.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.851 0.358 . . . . 0.0 110.46 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 85.9 mtm180 -82.45 147.59 56.65 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.487 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -69.19 -179.07 2.41 Favored 'Trans proline' 0 C--N 1.309 -1.511 0 C-N-CA 122.516 2.144 . . . . 0.0 111.905 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 22.0 tptt -115.2 112.31 22.3 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.583 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.569 ' SD ' ' N ' ' A' ' 61' ' ' MET . 4.1 mpp? -92.96 127.54 38.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.462 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.421 ' O ' ' N ' ' A' ' 65' ' ' GLN . 40.7 p -79.18 147.74 69.84 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.352 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 80.4 Cg_exo -38.25 -39.26 0.98 Allowed 'Trans proline' 0 C--N 1.31 -1.462 0 C-N-CA 122.457 2.105 . . . . 0.0 112.242 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -63.59 -40.36 96.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.655 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.421 ' N ' ' O ' ' A' ' 62' ' ' THR . 28.4 mt-30 -65.91 -67.54 0.44 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.62 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 6.0 ptm -49.69 -42.64 46.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.628 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.22 -61.98 2.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.593 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -46.45 -50.0 17.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.492 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.503 ' O ' ' N ' ' A' ' 73' ' ' PHE . 27.1 mm-40 -57.35 -58.23 9.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.637 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 54.4 mtt -48.75 -53.46 18.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.516 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.7 t -56.86 -38.6 72.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.535 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -79.76 -22.66 42.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.566 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.503 ' N ' ' O ' ' A' ' 69' ' ' GLU . 35.0 t80 -82.11 -59.64 2.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.591 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 22.5 mt -48.18 -14.16 0.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.428 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.465 ' N ' ' C ' ' A' ' 73' ' ' PHE . 69.9 m -59.65 137.98 57.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.513 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 62.9 mtt85 -68.2 0.01 4.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.643 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -165.24 174.64 41.12 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -73.15 79.78 1.99 Allowed 'Trans proline' 0 C--N 1.306 -1.672 0 C-N-CA 122.758 2.305 . . . . 0.0 112.041 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.43 0 CA-C-O 117.969 -1.015 . . . . 0.0 110.539 -179.998 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.504 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 9.1 pt20 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.864 0.364 . . . . 0.0 110.598 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -47.16 -60.37 2.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.506 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.3 mm100 -47.38 -30.55 3.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.698 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.504 ' HB3' ' O ' ' A' ' 6' ' ' GLN . . . -72.3 -62.96 1.25 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.642 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.5 p -62.38 -31.49 51.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.498 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 79.3 mt -68.91 -51.86 35.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.28 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.6 mm-40 -63.6 -35.28 80.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.576 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 66.6 tp60 -70.67 -39.71 73.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.612 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 79.8 mt-10 -66.25 -58.56 5.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.553 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.469 ' CG ' ' N ' ' A' ' 16' ' ' ARG . 5.8 ptm180 -57.55 -44.78 85.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.37 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.469 ' N ' ' CG ' ' A' ' 15' ' ' ARG . 41.2 ttm180 -63.3 -51.09 67.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.337 179.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -48.86 -48.74 41.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.412 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 23.7 mmt180 -60.97 -51.71 68.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.472 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 54.8 mm-40 -46.28 -58.43 3.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.605 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.438 HD12 ' N ' ' A' ' 20' ' ' LEU . 10.9 mp -58.54 -66.11 0.54 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.361 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -40.76 -36.65 0.65 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.668 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.9 tp -67.38 -52.55 38.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.286 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 33.9 mtp180 -53.29 -57.52 10.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.193 179.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 10.8 mt -50.96 -56.79 3.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.121 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -48.46 -44.98 36.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.288 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 94.2 mm-40 -69.19 -22.43 63.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.736 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.425 ' O ' ' N ' ' A' ' 31' ' ' LEU . 31.5 t -77.91 -51.16 10.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.872 0.367 . . . . 0.0 110.294 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -68.69 -27.71 66.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.791 179.516 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -78.37 -41.69 32.59 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.699 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -87.73 -26.03 23.13 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.739 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.425 ' N ' ' O ' ' A' ' 27' ' ' SER . 7.1 mt 44.24 49.81 7.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.795 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.731 HG22 ' N ' ' A' ' 33' ' ' SER . 91.0 mt -102.21 -105.32 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.144 179.582 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.731 ' N ' HG22 ' A' ' 32' ' ' ILE . 2.4 p -130.99 9.19 4.85 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.958 0.408 . . . . 0.0 110.302 179.701 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -49.17 -14.56 0.09 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.038 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.468 ' CG ' ' N ' ' A' ' 36' ' ' ALA . 16.6 pt-20 -60.53 -44.13 96.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.342 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.468 ' N ' ' CG ' ' A' ' 35' ' ' GLU . . . -53.41 -48.46 68.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.208 179.729 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -63.56 -60.03 3.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.478 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -47.18 -50.22 21.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.392 179.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -56.22 -52.57 63.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.474 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.665 HD23 HH22 ' A' ' 43' ' ' ARG . 10.2 mt -50.49 -51.48 46.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.36 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.47 -34.97 76.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.683 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 13.7 mt -72.62 -38.78 67.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.661 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.665 HH22 HD23 ' A' ' 40' ' ' LEU . 20.0 ttp-105 -75.86 -45.35 36.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.588 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 33.0 ttt180 -59.85 -16.22 27.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.484 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.3 t -87.85 95.5 10.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.472 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.611 HD22 ' N ' ' A' ' 46' ' ' LEU . 3.5 mm? -71.14 -14.89 62.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.385 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -71.54 3.47 3.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.575 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.452 ' OG ' ' N ' ' A' ' 49' ' ' TYR . 93.6 p -45.25 -71.23 0.08 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.491 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.452 ' N ' ' OG ' ' A' ' 48' ' ' SER . 3.0 m-85 -73.42 153.9 89.96 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.174 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -68.29 119.76 6.75 Favored 'Trans proline' 0 C--N 1.309 -1.551 0 C-N-CA 122.562 2.175 . . . . 0.0 111.861 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.444 ' O ' HG13 ' A' ' 51' ' ' VAL . 14.5 p -74.81 130.12 36.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.606 -179.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 27.3 p -81.91 161.47 23.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.499 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 77.1 mttt -133.04 150.88 52.09 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.518 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 47.56 65.93 1.15 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.542 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -122.64 16.68 10.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.527 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 79.75 18.92 71.83 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -169.84 92.1 0.22 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.862 0.363 . . . . 0.0 110.575 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 16.1 mtp-105 -79.23 150.3 74.0 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.284 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -66.79 -178.97 1.44 Allowed 'Trans proline' 0 C--N 1.309 -1.513 0 C-N-CA 122.492 2.128 . . . . 0.0 111.952 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -131.71 129.58 40.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.511 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.587 ' N ' ' SD ' ' A' ' 61' ' ' MET . 2.8 mpp? -82.35 139.56 34.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.527 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -76.64 156.19 83.06 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.166 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_endo -57.55 -41.1 74.96 Favored 'Trans proline' 0 C--N 1.309 -1.509 0 C-N-CA 122.56 2.173 . . . . 0.0 111.907 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 49.7 tt0 -64.19 -36.33 83.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.575 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -67.15 -67.89 0.42 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.472 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 11.5 ptm -48.48 -42.32 32.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.451 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.09 -51.81 68.45 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.45 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 12.5 tptp -57.19 -50.5 72.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.377 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -51.68 -45.71 63.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.426 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 4.1 mmt -58.64 -57.31 13.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.447 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 23.1 t -54.03 -28.38 38.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.407 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 86.0 mt-10 -84.25 -36.54 22.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.572 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -71.76 -32.12 67.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.628 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 15.3 mt -77.61 -17.49 57.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.454 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.8 p 69.28 164.9 0.25 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.605 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -78.15 -111.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.556 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.519 ' C ' ' H ' ' A' ' 79' ' ' ALA . . . -81.05 -174.57 49.03 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -50.28 -5.5 0.07 OUTLIER 'Trans proline' 0 C--N 1.306 -1.681 0 C-N-CA 122.85 2.366 . . . . 0.0 112.129 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.519 ' H ' ' C ' ' A' ' 77' ' ' GLY . . . . . . . . 0 C--O 1.22 -0.449 0 CA-C-O 118.035 -0.984 . . . . 0.0 110.561 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.467 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 14.4 pt20 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.953 0.406 . . . . 0.0 110.279 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 28.1 mm100 -46.19 -60.12 2.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.458 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.2 mm-40 -46.89 -34.42 5.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.639 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.467 ' HB3' ' O ' ' A' ' 6' ' ' GLN . . . -69.41 -65.16 0.75 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.812 -179.769 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.4 p -60.99 -29.79 46.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.734 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 53.7 mt -67.17 -58.8 4.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.353 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -61.29 -35.43 77.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.559 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 35.2 tp60 -70.74 -37.4 73.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.732 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -67.12 -57.29 7.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.481 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.429 ' CG ' ' N ' ' A' ' 16' ' ' ARG . 11.3 ptm180 -58.76 -42.91 90.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.381 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.429 ' N ' ' CG ' ' A' ' 15' ' ' ARG . 21.5 ttm180 -66.62 -53.47 33.87 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.298 179.62 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -47.4 -45.04 24.93 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.317 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 40.5 mtt-85 -63.99 -55.44 22.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.287 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -43.6 -61.23 1.46 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.509 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.502 HD12 ' N ' ' A' ' 20' ' ' LEU . 8.8 mp -57.73 -61.91 2.18 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.314 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -44.66 -34.19 2.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.581 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.4 tp -69.92 -47.64 61.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.242 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 27.5 mtp180 -58.18 -58.39 8.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.058 179.584 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.47 ' O ' ' N ' ' A' ' 27' ' ' SER . 11.8 mt -52.74 -58.22 3.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.975 179.736 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -45.93 -44.23 14.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.246 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -70.8 -23.92 62.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.479 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.502 ' O ' ' N ' ' A' ' 31' ' ' LEU . 10.2 t -74.8 -48.97 22.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.133 179.793 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -68.38 -34.09 75.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.831 179.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.46 -39.39 70.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.608 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.621 ' O ' ' N ' ' A' ' 32' ' ' ILE . 49.5 mt-10 -89.36 -24.36 21.98 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.742 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.502 ' N ' ' O ' ' A' ' 27' ' ' SER . 0.9 OUTLIER 31.52 27.42 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.899 -179.844 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.621 ' N ' ' O ' ' A' ' 30' ' ' GLU . 25.6 mt -118.91 -19.48 5.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.252 179.548 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.9 p -72.17 58.35 0.37 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.545 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.0 p-10 -53.18 -37.21 61.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.504 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 65.4 tt0 -43.79 -38.45 3.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.674 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.48 -54.53 42.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.563 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 55.7 mm-40 -60.47 -43.86 96.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.555 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.01 -51.85 67.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.547 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.497 ' O ' ' N ' ' A' ' 43' ' ' ARG . 52.4 m-20 -58.67 -55.0 40.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.552 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 14.9 mt -52.28 -42.88 64.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.526 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.73 -44.15 78.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.541 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 18.2 mt -74.43 -21.14 59.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.446 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.497 ' N ' ' O ' ' A' ' 39' ' ' ASP . 49.4 ttp180 -78.24 -48.04 16.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.514 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -71.63 -28.36 63.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.556 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.474 ' C ' ' N ' ' A' ' 47' ' ' ASP . 46.4 m -69.84 84.89 0.48 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.533 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.432 ' C ' ' H ' ' A' ' 48' ' ' SER . 3.9 tp -45.8 -16.67 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.571 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.474 ' N ' ' C ' ' A' ' 45' ' ' SER . 13.0 t70 -74.53 14.25 0.5 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.57 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.432 ' H ' ' C ' ' A' ' 46' ' ' LEU . 11.9 p -80.79 -27.92 36.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.579 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 62.3 m-85 -62.59 150.45 86.21 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.406 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_exo -41.97 119.49 1.21 Allowed 'Trans proline' 0 C--N 1.313 -1.34 0 C-N-CA 122.357 2.038 . . . . 0.0 112.023 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.441 HG22 ' H ' ' A' ' 51' ' ' VAL . 1.7 m -84.18 102.94 10.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.477 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.7 p -101.81 138.52 38.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.504 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 43.6 pttt -133.08 136.83 46.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.575 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 16.2 t30 46.26 47.7 13.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.523 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -157.58 75.95 0.8 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.503 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 100.78 -18.02 55.57 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 11.4 m 45.1 71.58 0.26 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.821 0.343 . . . . 0.0 110.648 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 78.8 mtt-85 -60.73 146.81 85.58 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.484 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -68.65 -178.9 2.12 Favored 'Trans proline' 0 N--CA 1.494 1.504 0 C-N-CA 122.351 2.034 . . . . 0.0 111.928 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 28.1 tttm -150.95 113.35 4.62 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.557 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.427 ' SD ' ' NE2' ' A' ' 65' ' ' GLN . 6.4 tpp -85.41 130.89 34.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.347 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 7.7 p -87.58 148.22 43.56 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.644 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -41.52 -49.28 5.2 Favored 'Trans proline' 0 C--N 1.311 -1.402 0 C-N-CA 122.509 2.14 . . . . 0.0 112.215 179.677 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -54.97 -54.08 47.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.594 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.427 ' NE2' ' SD ' ' A' ' 61' ' ' MET . 24.4 mt-30 -51.18 -50.21 59.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.609 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 27.8 mtm -61.53 -35.58 78.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.659 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.412 ' O ' ' CB ' ' A' ' 71' ' ' SER . . . -63.91 -57.78 8.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.733 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 38.9 tttm -58.56 -38.64 78.29 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.689 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -67.13 -59.2 3.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.025 -179.722 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.468 ' CG ' ' N ' ' A' ' 71' ' ' SER . 4.2 ptt? -64.13 -42.8 96.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.839 -179.549 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.468 ' N ' ' CG ' ' A' ' 70' ' ' MET . 49.4 m -58.64 -49.7 76.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.679 -179.781 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -65.75 -34.58 78.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.699 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.477 ' C ' ' H ' ' A' ' 75' ' ' SER . 12.8 t80 -73.55 -61.39 1.85 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.714 -179.812 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 21.5 mt -50.4 -10.51 0.06 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.647 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.477 ' H ' ' C ' ' A' ' 73' ' ' PHE . 29.5 t -116.16 83.7 1.99 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.569 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -97.11 -21.5 17.31 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.626 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 86.33 73.98 1.27 Allowed Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -79.71 45.37 1.93 Allowed 'Trans proline' 0 C--N 1.306 -1.682 0 C-N-CA 122.825 2.35 . . . . 0.0 112.024 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 117.95 -1.024 . . . . 0.0 110.594 179.857 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.451 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 28.3 pt20 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.829 0.347 . . . . 0.0 110.575 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -49.24 -60.08 3.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.426 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.427 HE22 ' HB3' ' A' ' 12' ' ' GLU . 0.1 OUTLIER -44.32 -35.12 2.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.59 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.451 ' HB3' ' O ' ' A' ' 6' ' ' GLN . . . -70.1 -64.72 0.83 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.976 -179.716 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.0 p -60.97 -26.3 38.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 C-N-CA 120.809 -0.357 . . . . 0.0 110.472 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 11' ' ' LEU . 45.2 mt -69.63 -59.98 2.61 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.791 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.427 ' HB3' HE22 ' A' ' 8' ' ' GLN . 14.0 pt-20 -65.37 -28.33 69.19 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.597 -0.441 . . . . 0.0 110.442 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 37.3 tp60 -73.79 -42.36 61.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.558 -179.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -72.65 -41.96 64.87 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 120.285 -0.566 . . . . 0.0 110.956 -179.389 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.471 ' CG ' ' N ' ' A' ' 16' ' ' ARG . 30.1 ptt85 -69.19 -42.72 75.44 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.556 -0.458 . . . . 0.0 110.026 179.723 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.471 ' N ' ' CG ' ' A' ' 15' ' ' ARG . 64.7 ttt180 -62.91 -46.2 88.95 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.897 0.38 . . . . 0.0 110.123 179.515 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -58.59 -48.72 80.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.324 179.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 12.8 mmp_? -61.87 -47.15 86.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.424 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -53.53 -67.22 0.27 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.538 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.9 mp -51.15 -61.05 2.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.442 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -41.47 -38.26 1.24 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.691 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.4 tp -69.23 -48.42 61.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.253 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 44.5 mtp85 -54.77 -57.17 12.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.159 179.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 10.5 mt -54.16 -53.1 31.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.086 179.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -49.68 -46.51 50.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.196 179.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 91.7 mm-40 -71.11 -20.57 62.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.42 179.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.8 t -72.95 -55.56 6.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.313 -0.403 . . . . 0.0 109.978 179.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -64.82 -39.35 93.43 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.862 179.411 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.61 -42.81 98.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.535 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -75.86 -24.65 55.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.416 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.7 tp 58.23 29.87 18.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.677 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.7 mm -83.99 -14.11 11.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.366 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.429 ' O ' ' OE1' ' A' ' 37' ' ' GLN . 58.4 m -80.21 62.54 4.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.582 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.413 ' OD1' ' O ' ' A' ' 34' ' ' ASP . 9.9 t0 -61.45 -21.56 64.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.683 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 21.0 pt-20 -59.81 -33.16 71.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.706 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -70.93 -57.42 4.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.59 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.539 ' CD ' ' H ' ' A' ' 37' ' ' GLN . 24.9 mp0 -58.93 -44.9 91.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.579 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.32 -51.32 70.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.494 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -59.23 -70.44 0.16 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.432 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.1 mt -40.81 -43.9 2.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.638 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.93 -45.68 91.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.591 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 15.7 mt -60.92 -37.93 84.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.558 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 59.7 mtt180 -75.17 -34.77 61.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.454 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 26.4 ttt180 -71.4 -1.99 14.97 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.735 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 32.2 t -89.71 -16.15 30.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.655 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.548 HD22 ' N ' ' A' ' 46' ' ' LEU . 3.6 mm? -66.32 -13.1 60.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.478 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -77.14 -23.67 51.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.521 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 10.6 t -86.1 70.25 10.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.6 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -64.88 155.42 83.2 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.251 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -69.71 119.7 6.61 Favored 'Trans proline' 0 C--N 1.308 -1.587 0 C-N-CA 122.558 2.172 . . . . 0.0 112.081 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.408 HG22 ' H ' ' A' ' 51' ' ' VAL . 5.0 m -86.75 156.93 3.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.516 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.8 m -73.03 111.6 8.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.569 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.94 157.0 38.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.579 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 56.2 m-20 54.28 66.0 1.35 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.547 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 45.5 t0 -145.78 -53.37 0.27 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.553 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 79.39 -16.55 9.77 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -174.2 95.2 0.09 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.886 0.374 . . . . 0.0 110.618 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.423 ' HG3' ' H ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -85.27 165.35 36.74 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.344 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -72.14 -178.92 3.51 Favored 'Trans proline' 0 C--N 1.306 -1.662 0 C-N-CA 122.845 2.363 . . . . 0.0 111.927 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 74.2 tttt -167.64 43.32 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.625 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.563 ' N ' ' SD ' ' A' ' 61' ' ' MET . 3.8 mpp? -102.17 113.99 27.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.435 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.705 ' H ' ' NE2' ' A' ' 65' ' ' GLN . 43.7 p -73.0 147.57 88.5 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.363 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -39.14 -35.55 0.65 Allowed 'Trans proline' 0 C--N 1.311 -1.422 0 C-N-CA 122.474 2.116 . . . . 0.0 112.207 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 53.4 tt0 -61.1 -50.9 71.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.803 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.705 ' NE2' ' H ' ' A' ' 62' ' ' THR . 2.0 mt-30 -59.73 -67.98 0.33 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.707 -179.795 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.602 ' SD ' ' N ' ' A' ' 67' ' ' ALA . 5.0 ppp? -46.48 -39.47 10.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.726 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.602 ' N ' ' SD ' ' A' ' 66' ' ' MET . . . -69.33 -59.02 3.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.484 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.422 ' O ' ' OE2' ' A' ' 72' ' ' GLU . 19.7 tptm -52.37 -52.28 54.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.401 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 76.9 mt-10 -55.6 -56.52 19.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.464 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 39.0 mmm -49.85 -44.4 49.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.376 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 19.7 m -57.76 -48.37 79.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.567 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.443 ' N ' ' OE1' ' A' ' 72' ' ' GLU . 0.3 OUTLIER -73.47 -26.65 61.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.608 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.487 ' C ' ' H ' ' A' ' 75' ' ' SER . 35.2 t80 -71.62 -57.31 4.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.466 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 22.8 mt -53.45 -7.89 0.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.583 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.487 ' H ' ' C ' ' A' ' 73' ' ' PHE . 17.6 t -132.57 103.34 6.1 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.513 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 70.0 mtm180 -53.8 -8.98 0.19 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.522 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.46 ' H ' ' C ' ' A' ' 75' ' ' SER . . . 80.2 58.99 2.65 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -73.48 107.44 2.39 Favored 'Trans proline' 0 C--N 1.307 -1.642 0 C-N-CA 122.764 2.309 . . . . 0.0 112.041 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.53 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.583 -179.941 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.784 0.326 . . . . 0.0 110.585 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -60.71 -60.4 3.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.591 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 14.9 mm-40 -50.04 -34.35 21.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.818 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.94 -67.13 0.48 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.05 -179.678 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.488 HG13 ' N ' ' A' ' 11' ' ' LEU . 13.8 p -58.34 -41.25 80.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.729 -179.584 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.488 ' N ' HG13 ' A' ' 10' ' ' VAL . 82.1 mt -59.61 -60.47 3.79 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.903 -0.319 . . . . 0.0 110.356 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -50.41 -49.76 53.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.418 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 40.4 tp60 -54.37 -44.04 71.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.484 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -65.56 -53.33 43.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.581 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 34.0 mmt180 -46.62 -52.01 14.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.568 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -64.77 -58.66 5.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.583 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -42.53 -47.76 5.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.611 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 48.4 mtm180 -64.23 -54.92 25.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.527 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -45.73 -62.41 1.31 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.498 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.524 ' N ' HD12 ' A' ' 20' ' ' LEU . 8.2 mp -55.57 -65.03 0.66 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.43 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -40.41 -38.31 0.81 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.694 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.4 tp -66.5 -51.04 60.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.296 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 33.8 mtp85 -53.74 -56.36 18.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.145 179.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 11.7 mt -51.46 -53.95 13.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.086 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -48.76 -47.1 41.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.118 179.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 96.7 mm-40 -68.52 -22.22 64.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.427 179.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 31' ' ' LEU . 6.1 t -74.45 -55.99 5.35 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.157 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -60.62 -39.78 89.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.874 179.376 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.02 -48.11 77.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.457 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -75.84 -25.02 55.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.508 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 27' ' ' SER . 5.4 tp 53.73 36.77 24.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.645 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.406 ' O ' ' N ' ' A' ' 34' ' ' ASP . 3.5 mm -87.52 -19.47 7.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.373 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 11.5 p -69.2 64.3 0.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.531 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.406 ' N ' ' O ' ' A' ' 32' ' ' ILE . 35.5 t0 -47.64 -31.22 4.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.436 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.427 ' O ' ' OD1' ' A' ' 39' ' ' ASP . 43.4 tt0 -53.42 -48.81 68.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.511 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.42 -53.6 56.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.546 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 18.0 mm100 -51.47 -49.4 61.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.543 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.76 -36.31 78.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.557 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.427 ' OD1' ' O ' ' A' ' 35' ' ' GLU . 9.6 m-20 -69.93 -47.91 60.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.583 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.9 mt -63.48 -32.6 74.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.454 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -73.11 -53.66 10.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.729 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.568 ' C ' HD12 ' A' ' 42' ' ' LEU . 1.1 pp -67.65 -26.46 66.23 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.558 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 56.8 ttt180 -83.4 -31.12 26.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.515 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 28.6 ttt85 -69.75 -28.13 65.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.418 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.0 t -83.94 126.46 33.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.495 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.604 ' C ' ' H ' ' A' ' 48' ' ' SER . 8.1 mp -80.27 -2.54 45.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.533 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -66.68 25.21 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.755 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.604 ' H ' ' C ' ' A' ' 46' ' ' LEU . 6.8 m -96.61 -41.85 8.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.706 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.481 ' O ' ' O ' ' A' ' 50' ' ' PRO . 12.4 m-85 -71.15 150.79 94.66 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.327 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.481 ' O ' ' O ' ' A' ' 49' ' ' TYR . 81.3 Cg_exo -41.74 174.57 0.0 OUTLIER 'Trans proline' 0 C--N 1.312 -1.356 0 C-N-CA 122.658 2.239 . . . . 0.0 112.435 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 78.0 t -96.78 102.98 14.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.4 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 28.9 t -93.52 122.46 35.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.665 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 83.1 mttt -85.75 165.15 17.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.492 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 43.6 t30 45.97 28.09 0.58 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.55 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -65.32 -50.53 65.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.667 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.427 ' O ' ' O ' ' A' ' 57' ' ' THR . . . 81.39 4.48 90.42 Favored Glycine 0 CA--C 1.522 0.495 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.427 ' O ' ' O ' ' A' ' 56' ' ' GLY . 14.5 p 39.53 94.1 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.958 0.409 . . . . 0.0 110.863 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 18.7 mtt85 -105.21 147.63 34.87 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.32 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -67.85 -178.85 1.79 Allowed 'Trans proline' 0 N--CA 1.493 1.461 0 C-N-CA 122.362 2.042 . . . . 0.0 111.982 179.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 49.4 tttp -157.54 115.83 3.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.648 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 12.6 mtt -81.7 109.93 16.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.454 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.4 p -76.94 148.24 78.52 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.259 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_exo -38.19 -39.91 1.07 Allowed 'Trans proline' 0 C--N 1.311 -1.433 0 C-N-CA 122.508 2.138 . . . . 0.0 112.283 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -66.73 -46.7 74.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.614 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 61.4 mt-30 -55.64 -64.56 0.81 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.629 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.503 ' O ' ' SD ' ' A' ' 70' ' ' MET . 8.2 ptm -55.27 -53.04 61.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.69 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.446 ' N ' ' CG ' ' A' ' 66' ' ' MET . . . -45.86 -53.54 9.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.517 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 12.5 tptp -60.81 -61.06 2.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.597 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -46.2 -54.58 8.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.559 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.604 ' N ' ' SD ' ' A' ' 70' ' ' MET . 0.0 OUTLIER -50.59 -57.81 7.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.437 179.939 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 38.1 m -55.11 -26.96 41.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.615 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -78.34 -35.2 47.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.61 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -74.69 -37.15 62.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.54 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 20.0 mt -73.05 -7.94 53.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.479 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 21.9 t -139.77 96.98 3.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.473 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.4 ' H ' ' HD3' ' A' ' 76' ' ' ARG . 0.1 OUTLIER -82.47 -89.89 0.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.473 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.411 ' C ' ' H ' ' A' ' 79' ' ' ALA . . . 78.94 -178.71 53.35 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -74.4 30.21 0.34 Allowed 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 122.781 2.321 . . . . 0.0 112.078 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.411 ' H ' ' C ' ' A' ' 77' ' ' GLY . . . . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 118.063 -0.97 . . . . 0.0 110.626 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.461 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 7.4 tt0 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.819 0.342 . . . . 0.0 110.588 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -50.45 -60.19 3.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.567 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 14.0 tp60 -49.22 -34.87 15.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.64 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' A' ' 6' ' ' GLN . . . -65.84 -67.02 0.48 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.775 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.506 HG13 ' N ' ' A' ' 11' ' ' LEU . 7.7 p -59.13 -44.94 92.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.758 -179.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.506 ' N ' HG13 ' A' ' 10' ' ' VAL . 76.1 mt -53.54 -54.5 36.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.354 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -60.64 -43.88 97.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.533 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.694 HE22 HH21 ' A' ' 16' ' ' ARG . 59.2 tp60 -59.85 -39.09 84.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.586 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 70.9 mt-10 -66.38 -48.29 70.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.539 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 80.3 mtt180 -55.87 -56.2 23.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.504 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.694 HH21 HE22 ' A' ' 13' ' ' GLN . 52.1 ttp180 -57.96 -56.81 17.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.457 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -43.8 -44.4 6.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.528 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 16.9 mmt180 -64.76 -53.24 50.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.334 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -45.69 -59.57 2.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.511 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.545 HD12 ' N ' ' A' ' 20' ' ' LEU . 8.4 mp -59.43 -66.34 0.53 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.378 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -39.38 -36.59 0.37 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.671 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.2 tp -68.79 -51.15 44.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.211 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 39.5 mtp180 -58.6 -59.08 5.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.133 179.633 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.468 ' O ' ' N ' ' A' ' 27' ' ' SER . 13.9 mt -49.27 -55.04 4.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.888 179.655 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -45.38 -50.89 11.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.22 179.558 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -67.24 -20.87 65.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.409 179.631 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.485 ' O ' ' N ' ' A' ' 31' ' ' LEU . 5.0 t -76.63 -50.0 14.86 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.17 179.809 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -65.68 -35.25 80.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.95 179.542 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.54 -44.41 64.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.512 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -81.38 -25.18 36.51 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.64 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.485 ' N ' ' O ' ' A' ' 27' ' ' SER . 2.8 mt 52.13 24.46 2.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.544 179.782 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 70.7 mt -85.51 -24.43 6.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.336 179.689 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.456 ' C ' ' N ' ' A' ' 35' ' ' GLU . 6.8 t -78.46 43.74 0.48 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.696 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -50.07 -15.22 0.19 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.999 0.428 . . . . 0.0 110.056 179.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.456 ' N ' ' C ' ' A' ' 33' ' ' SER . 1.3 pp20? -64.12 -29.4 70.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.452 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.58 -47.01 67.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.332 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.483 ' N ' ' CD ' ' A' ' 37' ' ' GLN . 17.8 mp0 -63.82 -52.61 59.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.32 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.44 -40.89 79.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.353 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.533 ' OD2' ' NH1' ' A' ' 43' ' ' ARG . 15.4 t70 -62.62 -60.36 3.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.484 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.0 mt -46.57 -47.18 19.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.472 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.65 -53.56 56.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.524 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 13.7 mt -57.97 -41.99 84.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.558 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.533 ' NH1' ' OD2' ' A' ' 39' ' ' ASP . 22.3 ttm105 -66.01 -46.19 78.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.506 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 27.1 ttt180 -59.81 -37.62 79.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.481 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 37.3 m -89.8 73.0 7.59 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.551 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.428 ' C ' ' H ' ' A' ' 48' ' ' SER . 5.6 tp -74.37 -30.1 61.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.544 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -63.59 -0.6 0.99 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.632 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.437 ' OG ' ' N ' ' A' ' 49' ' ' TYR . 88.7 p -77.05 -76.24 0.18 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.55 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.437 ' N ' ' OG ' ' A' ' 48' ' ' SER . 3.2 m-85 -69.05 154.06 95.43 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.343 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -68.86 121.27 8.14 Favored 'Trans proline' 0 C--N 1.309 -1.529 0 C-N-CA 122.529 2.153 . . . . 0.0 111.967 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 95.3 t -74.59 135.92 26.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.485 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 20.3 t -74.92 128.54 35.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.788 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 15.1 pttm -133.11 130.87 39.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.378 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 38.3 t30 -160.12 70.12 0.42 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.696 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -90.68 -55.59 3.52 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.445 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 87.61 -2.55 86.2 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 24.4 p -96.9 77.73 2.8 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.779 0.323 . . . . 0.0 110.498 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 45.5 mtp85 -86.32 148.06 46.22 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.496 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -68.67 -178.93 2.14 Favored 'Trans proline' 0 N--CA 1.494 1.505 0 C-N-CA 122.553 2.169 . . . . 0.0 111.894 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -163.17 43.81 0.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.615 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.469 ' N ' ' SD ' ' A' ' 61' ' ' MET . 4.1 mpp? -97.3 140.76 31.29 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.466 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.536 ' OG1' ' NE2' ' A' ' 65' ' ' GLN . 2.7 p -79.56 151.25 74.3 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.408 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.416 ' O ' ' HB2' ' A' ' 67' ' ' ALA . 80.6 Cg_exo -38.77 -44.26 2.3 Favored 'Trans proline' 0 C--N 1.31 -1.454 0 C-N-CA 122.666 2.244 . . . . 0.0 112.453 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -65.25 -45.69 83.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.688 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.774 ' H ' HE21 ' A' ' 65' ' ' GLN . 0.2 OUTLIER -62.18 -63.4 1.25 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.635 -179.812 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.491 ' SD ' ' N ' ' A' ' 67' ' ' ALA . 0.0 OUTLIER -54.03 -36.22 62.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.718 -179.739 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.491 ' N ' ' SD ' ' A' ' 66' ' ' MET . . . -65.18 -64.46 0.86 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.468 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 15.9 tptp -45.19 -54.06 7.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.509 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 72.7 mt-10 -53.35 -52.34 59.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.558 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 7.1 mmt -60.66 -63.04 1.44 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.536 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 38.7 p -45.55 -36.22 4.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.648 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -77.4 -32.04 54.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.537 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -72.99 -53.34 11.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.482 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 37.0 mt -59.45 -12.28 5.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.458 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.5 t -73.37 -6.76 48.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.569 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 83.3 mtp180 -78.26 -100.43 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.622 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 160.83 -68.82 0.24 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -73.47 -170.03 0.61 Allowed 'Trans proline' 0 C--N 1.306 -1.686 0 C-N-CA 122.809 2.339 . . . . 0.0 111.993 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.496 0 CA-C-O 117.963 -1.018 . . . . 0.0 110.525 179.931 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.49 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 15.2 pt20 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.798 0.333 . . . . 0.0 110.342 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 28.0 mm100 -45.37 -60.29 2.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.488 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -47.16 -33.91 5.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.673 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.49 ' HB3' ' O ' ' A' ' 6' ' ' GLN . . . -69.59 -64.86 0.8 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.754 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.8 p -60.71 -30.28 46.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.648 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 57.5 mt -66.52 -61.48 1.97 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.265 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -60.12 -36.3 77.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.495 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 33.2 tp60 -66.05 -45.29 81.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.573 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -64.96 -56.52 12.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.417 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 85.4 mtt-85 -50.5 -53.22 31.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.361 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.416 ' O ' ' N ' ' A' ' 19' ' ' GLU . 39.3 ttp180 -59.32 -62.16 2.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.411 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 16' ' ' ARG . 25.4 t0 -39.59 -41.48 1.03 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.613 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 15.3 mmt85 -68.39 -45.48 72.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.25 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.416 ' N ' ' O ' ' A' ' 16' ' ' ARG . 58.5 mm-40 -55.86 -53.33 58.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.431 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 14.0 mt -60.31 -61.56 2.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.399 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -43.43 -36.51 1.99 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.426 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.4 tp -69.21 -47.92 63.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.163 179.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 25.5 mtp180 -55.24 -57.19 12.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.119 179.662 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 10.8 mt -54.02 -54.86 17.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.132 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -48.69 -48.78 39.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.178 179.744 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 91.0 mm-40 -69.33 -19.93 63.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.31 179.664 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.3 t -73.77 -57.06 4.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 109.933 179.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -62.01 -39.13 91.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.726 179.249 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.1 -45.19 93.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.394 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 53.6 mm-40 -75.84 -25.05 55.88 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.526 179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.4 tp 62.49 57.14 1.92 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.529 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.413 ' O ' ' C ' ' A' ' 33' ' ' SER . 4.9 mm -125.23 -92.11 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.338 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.479 ' O ' ' N ' ' A' ' 35' ' ' GLU . 2.8 t 37.2 53.41 1.23 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.927 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -44.67 -18.98 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.212 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 33' ' ' SER . 20.2 tt0 -69.59 -51.62 33.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.299 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.3 -50.57 69.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.551 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 63.5 mm-40 -59.42 -50.99 71.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.599 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.99 -52.26 66.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.624 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -57.88 -69.17 0.18 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.638 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 14.2 mt -42.65 -41.41 3.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.593 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.26 -42.51 99.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.691 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.4 mt -63.47 -37.94 89.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.576 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 14.9 mtp-105 -77.12 -48.4 17.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.594 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 17.8 ttm180 -59.75 -13.52 10.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.568 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 20.7 t -71.76 125.05 26.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.524 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.611 HD22 ' N ' ' A' ' 46' ' ' LEU . 3.5 mm? -71.7 -27.54 63.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.443 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -77.93 12.75 1.63 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.545 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 28.5 t -71.08 -54.23 11.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.57 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -81.33 147.08 59.36 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.324 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -69.0 178.74 3.81 Favored 'Trans proline' 0 N--CA 1.493 1.496 0 C-N-CA 122.429 2.086 . . . . 0.0 112.002 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 16.9 m -113.3 134.12 57.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.575 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 22.9 p -92.5 166.23 12.63 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.546 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 50.9 pttt -132.86 149.87 52.21 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.536 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.7 m120 54.83 46.84 23.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.649 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 17.7 p30 -87.25 38.35 0.81 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.63 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 64.49 4.63 13.71 Favored Glycine 0 CA--C 1.522 0.494 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.8 p 42.67 55.07 4.38 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.914 0.388 . . . . 0.0 110.749 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 64.1 mtm-85 -82.77 148.69 58.29 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.271 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -66.94 -179.04 1.51 Allowed 'Trans proline' 0 C--N 1.31 -1.45 0 C-N-CA 122.383 2.055 . . . . 0.0 111.992 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 72.1 tttt -152.11 115.67 4.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.567 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 8.4 ptp -91.55 122.42 34.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.534 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.413 HG23 ' H ' ' A' ' 62' ' ' THR . 0.2 OUTLIER -61.32 151.26 77.2 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.267 -179.95 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -64.92 -34.96 46.3 Favored 'Trans proline' 0 C--N 1.31 -1.489 0 C-N-CA 122.438 2.092 . . . . 0.0 111.78 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -63.14 -37.53 87.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.218 179.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 24.2 mm100 -66.25 -50.15 64.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.317 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 55.3 mtm -56.88 -43.58 81.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.376 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.7 -52.43 65.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.512 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 33.6 tptt -52.5 -48.86 65.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.499 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 57.7 mm-40 -58.3 -51.19 70.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.529 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 13.2 mmt -59.18 -60.92 3.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.56 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 21.7 p -46.23 -43.28 15.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.515 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 10.0 tm-20 -72.02 -27.04 62.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.545 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -79.31 -37.6 37.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.507 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 21.1 mt -71.36 -7.83 49.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.451 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 10.3 t -142.08 117.46 10.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.575 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 34.4 mtm-85 -137.08 -52.59 0.68 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.514 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -80.16 -69.21 1.41 Allowed Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.416 ' O ' ' OXT' ' A' ' 79' ' ' ALA . 58.0 Cg_endo -73.34 142.51 33.6 Favored 'Trans proline' 0 C--N 1.307 -1.653 0 C-N-CA 122.733 2.289 . . . . 0.0 112.075 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.416 ' OXT' ' O ' ' A' ' 78' ' ' PRO . . . . . . . . 0 C--O 1.221 -0.438 0 CA-C-O 118.009 -0.995 . . . . 0.0 110.508 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.443 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 53.0 tp60 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.731 0.3 . . . . 0.0 110.501 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 24.7 mm100 -42.93 -60.53 1.58 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.575 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.417 ' OE1' ' OE1' ' A' ' 12' ' ' GLU . 7.1 tp-100 -47.05 -38.07 10.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.679 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.443 ' HB3' ' O ' ' A' ' 6' ' ' GLN . . . -66.12 -65.21 0.71 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.925 -179.705 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 5.0 p -60.3 -29.64 44.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.64 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' A' ' 11' ' ' LEU . 41.1 mt -65.69 -67.51 0.44 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.605 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.417 ' OE1' ' OE1' ' A' ' 8' ' ' GLN . 15.3 pt-20 -57.8 -33.53 68.68 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.664 -179.746 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 21.9 tp60 -70.83 -36.67 73.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.412 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -68.3 -57.68 5.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.512 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.497 ' CG ' ' N ' ' A' ' 16' ' ' ARG . 12.0 ptm180 -58.14 -45.36 87.5 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.324 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.497 ' N ' ' CG ' ' A' ' 15' ' ' ARG . 38.1 ttm180 -62.28 -52.05 65.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.307 179.654 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -48.14 -51.41 24.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.389 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 39.2 mtp180 -59.91 -52.81 63.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.53 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 81.1 mt-10 -45.54 -66.22 0.43 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.519 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.515 ' N ' HD12 ' A' ' 20' ' ' LEU . 8.7 mp -54.68 -62.96 1.32 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.307 179.804 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -40.08 -39.13 0.83 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.579 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.5 tp -67.23 -48.62 67.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.1 179.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 59.7 mtp180 -56.48 -57.03 14.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.142 179.599 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.455 ' O ' ' N ' ' A' ' 27' ' ' SER . 13.8 mt -50.48 -55.7 5.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.004 179.659 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -45.76 -46.99 15.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.249 179.65 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -69.77 -22.93 63.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.315 179.692 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 24' ' ' ILE . 5.4 t -73.22 -51.36 18.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.0 179.769 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -65.35 -38.33 89.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.844 179.428 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.7 -44.35 90.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.465 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -75.76 -24.88 56.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.37 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.4 tp 55.79 37.35 28.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.776 179.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.5 mm -97.65 -44.22 12.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.451 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.4 p -83.33 42.16 0.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.618 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -55.17 -21.83 15.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.416 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.402 ' CG ' ' N ' ' A' ' 36' ' ' ALA . 22.1 pt-20 -62.82 -40.74 98.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.507 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.402 ' N ' ' CG ' ' A' ' 35' ' ' GLU . . . -64.18 -52.08 60.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.545 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 95.7 mm-40 -54.75 -47.67 73.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.473 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.54 -58.3 8.9 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.535 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -46.99 -62.29 1.48 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.551 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.9 mt -47.71 -49.16 28.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.518 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -51.71 -52.6 47.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.607 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 22.7 mt -64.79 -23.74 67.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.534 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 9.7 tpt180 -75.35 -50.11 16.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.586 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -76.9 11.45 1.75 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.601 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 89.8 p -66.88 95.95 0.39 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.593 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.444 ' C ' ' H ' ' A' ' 48' ' ' SER . 4.8 tp -80.3 -22.72 41.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.44 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -76.97 19.68 0.29 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.546 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.444 ' H ' ' C ' ' A' ' 46' ' ' LEU . 26.0 t -39.82 -73.56 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.835 -179.8 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 11.2 p90 -68.08 148.95 98.33 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.517 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -71.3 179.97 4.09 Favored 'Trans proline' 0 C--N 1.309 -1.547 0 C-N-CA 122.521 2.147 . . . . 0.0 112.061 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.5 p -101.03 135.27 38.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.422 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 80.2 p -86.04 156.09 20.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.537 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 34.7 ttpt -133.21 127.36 33.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.561 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -158.26 40.73 0.26 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.554 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -145.91 -27.38 0.44 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.591 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 71.18 12.03 71.58 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -174.38 93.33 0.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.902 0.382 . . . . 0.0 110.534 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 53.8 mtp85 -69.4 149.86 97.17 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.353 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -69.18 178.05 4.58 Favored 'Trans proline' 0 C--N 1.309 -1.502 0 C-N-CA 122.519 2.146 . . . . 0.0 111.93 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.1 pttp -114.61 137.62 51.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.513 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.587 ' SD ' ' N ' ' A' ' 61' ' ' MET . 1.4 mpt? -85.61 127.45 34.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.542 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.4 p -75.65 148.99 83.19 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.233 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 82.3 Cg_exo -38.49 -35.5 0.47 Allowed 'Trans proline' 0 C--N 1.31 -1.477 0 C-N-CA 122.537 2.158 . . . . 0.0 112.237 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -68.25 -47.77 66.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.63 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -55.07 -62.04 1.92 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.693 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.593 ' SD ' ' N ' ' A' ' 67' ' ' ALA . 3.0 ppp? -57.99 -41.56 83.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.664 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.593 ' N ' ' SD ' ' A' ' 66' ' ' MET . . . -59.65 -60.33 4.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.886 0.374 . . . . 0.0 110.452 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 12.9 tptp -51.94 -42.11 62.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.408 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -61.51 -58.27 8.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.405 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 24.6 mtt -49.41 -47.7 47.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.505 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.3 t -62.51 -35.84 80.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.54 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -77.28 -30.95 54.52 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.671 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -79.79 -52.04 8.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.564 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 20.7 mt -66.83 -14.19 62.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.522 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 32.3 t -162.62 148.09 12.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.648 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -48.82 -85.62 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.519 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 72.47 71.73 1.04 Allowed Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_exo -48.0 102.19 0.05 OUTLIER 'Trans proline' 0 C--N 1.306 -1.682 0 C-N-CA 122.751 2.301 . . . . 0.0 112.185 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 118.005 -0.997 . . . . 0.0 110.56 -179.945 . . . . . . . . 0 0 . 1 stop_ save_