data_1rzs_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 1rzs _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 ttm . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.894 0.378 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -86.14 138.56 31.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.46 -31.4 69.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.963 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.71 -31.82 71.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.803 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 47.8 m-20 -79.4 -45.62 19.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.844 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.8 t -56.35 -51.43 64.08 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.182 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 56.3 mt -58.97 -29.4 40.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.184 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.57 -26.21 54.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.977 0.418 . . . . 0.0 110.538 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.423 ' CD2' HG23 ' A' ' 46' ' ' THR . 13.4 t60 -84.65 -30.79 24.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.576 179.758 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.431 ' CE2' HG13 ' A' ' 16' ' ' VAL . 41.4 m-85 -94.68 -29.78 14.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.193 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 87.86 -52.62 4.19 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.136 -179.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 20.8 p -125.24 135.37 52.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.782 0.325 . . . . 0.0 110.472 179.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -50.22 -48.84 54.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.298 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 12.0 mtp180 -47.97 -32.08 6.05 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.181 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.35 -50.84 64.07 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.077 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.431 HG13 ' CE2' ' A' ' 10' ' ' PHE . 0.8 OUTLIER -55.62 -46.17 79.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.071 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.0 -33.21 71.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.097 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -75.01 -30.09 61.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.941 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.19 -49.47 49.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.022 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.1 mt -80.01 -33.62 39.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 106.66 27.61 5.41 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.592 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 29.9 pt -115.42 -179.54 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.829 0.347 . . . . 0.0 111.098 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.2 m -88.08 162.95 16.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 26.0 p-10 -63.14 -32.16 73.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.96 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.1 -43.51 95.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.94 -38.76 79.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.139 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 25.7 t -63.92 -52.12 60.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.169 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.63 -33.53 75.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.32 -21.28 66.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.246 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.416 ' CE3' HG23 ' A' ' 34' ' ' ILE . 48.0 m0 -54.21 165.99 0.45 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.201 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.9 mttm -121.39 -163.64 1.06 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.646 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -49.29 -28.22 4.57 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.046 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.7 t -129.75 116.69 39.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 179.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.416 HG23 ' CE3' ' A' ' 30' ' ' TRP . 8.9 pt -56.82 155.11 15.84 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.264 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -50.79 159.55 2.28 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.555 2.17 . . . . 0.0 112.42 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -67.84 -35.04 77.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.1 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -83.19 -23.79 32.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.309 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -79.82 -42.16 24.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.815 0.34 . . . . 0.0 110.342 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.35 -27.0 68.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.73 179.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 89.7 t80 -66.54 -69.11 0.32 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.029 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.3 -28.62 59.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.161 -179.763 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.402 ' HA ' ' CG2' ' A' ' 45' ' ' VAL . 10.9 mt -59.06 -33.31 70.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.062 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 55.7 tt0 -68.65 -20.95 64.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.329 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.8 mt -88.36 -50.24 13.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.869 0.366 . . . . 0.0 111.376 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.402 ' CG2' ' HA ' ' A' ' 42' ' ' LEU . 2.5 m -58.69 -37.35 65.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.301 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.423 HG23 ' CD2' ' A' ' 9' ' ' HIS . 70.5 p -80.03 5.57 13.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.798 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 67.53 33.99 4.85 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-O 120.803 0.335 . . . . 0.0 110.997 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 76.06 25.88 65.58 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.608 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.84 -62.38 1.91 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.928 0.394 . . . . 0.0 111.016 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.7 mt -95.62 123.84 39.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.742 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.99 119.35 22.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.921 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.473 ' CE1' ' CD2' ' A' ' 57' ' ' TYR . 3.6 t80 -68.31 133.89 49.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.104 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.44 142.29 48.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.491 179.773 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -86.06 45.12 1.19 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.345 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -90.34 -62.0 1.56 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.847 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -85.07 -7.47 59.09 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.703 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.473 ' CD2' ' CE1' ' A' ' 52' ' ' TYR . 17.6 m-85 -106.49 30.71 5.78 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.526 -0.307 . . . . 0.0 110.898 -179.709 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.932 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.1 ttm . . . . . 0 N--CA 1.484 1.258 0 CA-C-O 120.968 0.414 . . . . 0.0 111.27 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 74.4 m-85 -91.0 145.9 24.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.851 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 5.1 ttpm? -54.53 -29.79 51.8 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.938 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 69.0 tttt -61.48 -40.48 94.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.749 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -65.91 -53.84 34.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.935 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.3 t -54.06 -51.04 50.18 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.429 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.085 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.427 HG21 HD12 ' A' ' 7' ' ' ILE . 45.3 mt -60.91 -26.43 38.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.977 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.84 -27.67 55.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.365 179.714 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.436 ' CE1' ' HB ' ' A' ' 46' ' ' THR . 18.3 t60 -85.8 -33.45 21.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.588 179.768 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.422 ' CE2' HG12 ' A' ' 16' ' ' VAL . 40.4 m-85 -90.45 -38.24 13.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.182 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.28 -36.44 3.81 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.196 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.9 p -145.26 143.84 30.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.734 0.302 . . . . 0.0 110.571 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -52.82 -49.17 66.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.185 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -48.41 -38.96 20.97 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.432 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.92 -48.09 83.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.041 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.422 HG12 ' CE2' ' A' ' 10' ' ' PHE . 0.4 OUTLIER -59.07 -49.12 84.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.058 -179.885 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.16 -38.77 77.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.192 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.96 -29.51 66.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.029 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -80.89 -44.77 17.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.187 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 64.9 mt -79.92 -30.73 40.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.929 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 105.76 -7.64 42.21 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.869 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 37.8 pt -80.0 177.71 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-O 120.861 0.363 . . . . 0.0 111.115 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.9 m -85.57 159.07 19.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -59.69 -30.46 68.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.929 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.6 -38.69 87.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.107 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.69 -43.55 94.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.097 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 62.4 t -69.18 -34.54 63.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.081 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.6 p -72.9 -31.69 64.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -74.45 -16.23 60.87 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.294 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 17.1 m0 -52.45 125.97 17.91 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.785 0.326 . . . . 0.0 111.178 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.5 mmmt -80.23 -163.78 0.6 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.624 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -51.16 -33.68 28.01 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.846 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 19.4 t -126.15 130.19 72.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.986 0.422 . . . . 0.0 110.992 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.418 ' CD1' ' CD1' ' A' ' 42' ' ' LEU . 35.1 pt -66.63 162.27 52.4 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.215 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_exo -56.84 161.68 9.97 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.407 2.071 . . . . 0.0 111.945 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -68.36 -32.74 73.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.44 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -88.95 -17.41 29.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.683 -179.57 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -79.76 -41.72 26.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.88 0.371 . . . . 0.0 110.367 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.425 ' HB1' ' CE1' ' A' ' 52' ' ' TYR . . . -59.84 -27.27 66.5 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.154 179.574 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -74.58 -46.16 40.54 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.155 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.4 mtp180 -62.57 -31.9 72.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.384 -179.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.418 ' CD1' ' CD1' ' A' ' 34' ' ' ILE . 86.2 mt -58.75 -40.84 85.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.217 -179.685 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -61.43 -18.16 57.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.471 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.8 mt -92.58 -50.13 12.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.833 0.349 . . . . 0.0 111.41 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.4 m -64.25 -38.95 83.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.256 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.436 ' HB ' ' CE1' ' A' ' 9' ' ' HIS . 43.9 p -80.04 4.79 16.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.739 -179.735 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 65.29 31.19 10.78 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.981 0.42 . . . . 0.0 111.023 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.34 24.92 53.06 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.632 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.9 -55.75 13.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.872 0.367 . . . . 0.0 111.023 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.8 mp -91.07 132.17 36.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.812 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.5 mppt? -84.68 97.06 9.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.005 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.425 ' CE1' ' HB1' ' A' ' 39' ' ' ALA . 21.5 t80 -60.82 133.68 56.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.625 179.669 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -136.52 111.12 8.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.053 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.36 -15.24 56.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.161 179.771 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 32.4 m-20 -50.61 -45.47 57.54 Favored 'General case' 0 C--O 1.223 -0.299 0 CA-C-O 120.706 0.289 . . . . 0.0 111.118 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -90.24 13.56 14.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.984 179.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 -133.18 25.32 4.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.896 0.379 . . . . 0.0 110.876 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.235 0.341 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.722 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.488 1.45 0 CA-C-O 120.863 0.364 . . . . 0.0 111.227 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . 0.406 ' CD2' ' O ' ' A' ' 32' ' ' GLU . 10.5 m-85 -84.42 141.11 31.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.938 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.95 -29.14 59.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.161 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.53 -26.81 63.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.196 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -83.8 -46.58 12.05 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.994 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.401 ' CG1' HD23 ' A' ' 42' ' ' LEU . 3.5 t -53.35 -55.41 12.99 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.409 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.403 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.403 HD12 HG21 ' A' ' 7' ' ' ILE . 42.4 mt -56.16 -27.38 23.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.1 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.28 -28.39 47.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.017 0.437 . . . . 0.0 110.487 179.714 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.41 ' NE2' ' CG2' ' A' ' 46' ' ' THR . 8.2 t60 -85.57 -30.03 23.66 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.662 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.424 ' CE2' HG13 ' A' ' 16' ' ' VAL . 55.2 m-85 -96.12 -28.49 14.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.103 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 88.59 -52.23 3.97 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.041 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.9 p -133.32 141.25 47.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.731 0.3 . . . . 0.0 110.534 179.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.47 -47.08 57.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.092 -179.773 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.2 ttp85 -47.13 -32.96 4.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.315 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.53 -50.96 63.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.057 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.424 HG13 ' CE2' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -59.84 -41.85 87.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.81 -33.15 68.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.105 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.3 ttmm -78.76 -30.28 45.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.924 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.44 -48.17 29.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.101 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.5 mt -80.08 -33.11 39.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 98.33 27.94 8.37 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.508 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 39.4 pt -113.78 179.89 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.87 0.367 . . . . 0.0 111.047 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 39.8 m -80.46 149.9 29.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 19.0 p-10 -60.23 -31.79 70.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.881 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.34 -42.32 98.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.098 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.66 -35.56 74.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.038 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.417 HG13 ' CZ3' ' A' ' 30' ' ' TRP . 39.7 t -66.52 -50.76 64.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.062 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.86 -30.9 71.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -67.43 -19.28 65.35 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.307 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.417 ' CZ3' HG13 ' A' ' 27' ' ' VAL . 33.7 m0 -52.04 148.82 5.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.741 0.305 . . . . 0.0 111.182 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.4 mttt -96.04 -163.9 1.1 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.3 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.406 ' O ' ' CD2' ' A' ' 2' ' ' TYR . 8.4 mt-10 -51.04 -29.14 11.9 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.935 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 19.7 t -126.9 136.66 60.17 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.408 0 CA-C-N 116.587 -0.279 . . . . 0.0 110.939 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 8.3 pt -70.49 152.51 95.4 Favored Pre-proline 0 C--N 1.331 -0.202 0 CA-C-O 120.846 0.355 . . . . 0.0 111.225 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_exo -51.78 -175.96 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.684 2.256 . . . . 0.0 112.461 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.52 -49.41 7.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.207 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 43.8 mttp -71.35 -20.62 62.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.479 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -79.64 -46.41 17.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.88 0.372 . . . . 0.0 110.306 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.417 ' HB1' ' CD1' ' A' ' 52' ' ' TYR . . . -61.49 -25.72 67.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.898 179.543 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 80.2 t80 -70.54 -59.46 2.83 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.059 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.78 -29.53 70.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.224 -179.737 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.405 ' CD1' ' HA ' ' A' ' 39' ' ' ALA . 17.7 mt -55.14 -37.77 67.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.324 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -66.56 -23.38 66.2 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.31 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.8 mt -85.83 -49.04 15.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.787 0.327 . . . . 0.0 111.504 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.8 m -61.09 -37.54 77.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.403 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.41 ' CG2' ' NE2' ' A' ' 9' ' ' HIS . 55.0 p -79.98 7.66 8.54 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.876 -179.651 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 65.73 30.41 10.24 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.847 0.356 . . . . 0.0 111.018 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 79.39 8.98 87.4 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.891 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.74 -38.75 92.29 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.816 0.341 . . . . 0.0 110.837 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.3 mt -106.78 121.9 45.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.736 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.0 135.05 36.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.916 -179.665 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.417 ' CD1' ' HB1' ' A' ' 39' ' ' ALA . 7.8 t80 -92.76 128.14 38.51 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.675 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 68.1 mm-40 -118.91 108.11 14.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.776 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -79.15 3.66 16.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.554 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 67.0 m-20 -53.28 -70.44 0.09 Allowed 'General case' 0 C--O 1.225 -0.189 0 CA-C-O 120.647 0.26 . . . . 0.0 110.847 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.0 -16.92 62.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.178 179.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -94.21 19.79 8.9 Favored 'General case' 0 CA--C 1.528 0.112 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.3 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.33 -0.276 0 CA-C-O 120.845 0.355 . . . . 0.0 110.855 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.922 0.392 . . . . 0.0 111.166 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . 0.405 ' CE2' ' HG2' ' A' ' 32' ' ' GLU . 3.0 m-85 -82.71 159.34 22.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.882 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.79 -33.98 77.11 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.939 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -51.56 -45.49 63.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.225 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -60.81 -52.72 63.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.741 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.9 t -56.65 -49.52 77.65 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.961 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 35.3 mm -59.45 -30.85 45.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.061 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.26 -25.05 51.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.553 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 20.9 t60 -84.35 -31.6 24.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.57 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.436 ' CE2' HG13 ' A' ' 16' ' ' VAL . 46.0 m-85 -94.2 -41.03 9.7 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.076 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 96.15 -33.2 5.76 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.332 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.7 p -146.57 147.77 31.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.841 0.353 . . . . 0.0 110.673 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -56.9 -50.89 71.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.007 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.7 mtm105 -44.35 -42.55 6.9 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.426 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.33 -50.91 72.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.901 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.436 HG13 ' CE2' ' A' ' 10' ' ' PHE . 1.1 t -57.7 -46.91 86.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.209 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.09 -40.19 76.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.158 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.19 -28.43 63.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.08 -53.12 9.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.131 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.7 mt -79.87 -34.47 39.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.849 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 89.54 48.33 3.74 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.418 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.435 HD13 HG22 ' A' ' 22' ' ' ILE . 1.2 pt -111.73 -96.41 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.506 0.193 . . . . 0.0 111.042 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.6 m -175.87 154.75 1.55 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.799 0.333 . . . . 0.0 110.804 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.01 -19.56 44.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.093 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.34 -45.68 15.8 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.777 0.322 . . . . 0.0 111.146 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.4 ' O ' ' CD1' ' A' ' 30' ' ' TRP . . . -57.94 -44.55 87.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.124 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 46.4 t -65.07 -43.8 95.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.035 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.53 -29.44 67.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.955 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -80.81 -11.19 59.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.467 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.4 ' CD1' ' O ' ' A' ' 26' ' ' ALA . 24.2 m0 -53.97 127.78 27.71 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.882 0.372 . . . . 0.0 111.093 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.5 mttm -83.29 -166.68 1.43 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.027 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.405 ' HG2' ' CE2' ' A' ' 2' ' ' TYR . 0.2 OUTLIER -49.31 -28.04 4.48 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.696 0.284 . . . . 0.0 111.056 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 13.3 t -127.89 133.32 67.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.069 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.409 ' CD1' ' CD1' ' A' ' 42' ' ' LEU . 29.8 pt -68.72 151.71 97.1 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.35 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -52.57 163.61 1.76 Allowed 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.505 2.137 . . . . 0.0 112.281 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -68.4 -44.73 74.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.171 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.1 mtpp -76.65 -19.29 57.93 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.433 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -79.72 -45.24 19.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.909 0.385 . . . . 0.0 110.384 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.46 -25.94 67.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.055 179.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 44.5 t80 -69.83 -55.18 10.5 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.912 0.387 . . . . 0.0 111.127 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.402 ' HB3' ' NH1' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -57.76 -28.21 63.75 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.342 -179.748 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.409 ' CD1' ' CD1' ' A' ' 34' ' ' ILE . 23.7 mt -50.43 -48.31 56.34 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.915 0.388 . . . . 0.0 111.3 -179.741 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -59.22 -20.03 50.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.375 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.7 mt -91.19 -48.44 13.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.796 0.332 . . . . 0.0 111.499 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 5.1 m -67.32 -40.56 85.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.391 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 38.6 p -79.77 2.2 23.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.667 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 66.33 30.94 8.69 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.87 0.367 . . . . 0.0 110.996 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 83.22 26.38 44.28 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.699 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.06 -38.57 19.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.882 0.372 . . . . 0.0 110.974 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 36.8 mt -99.03 124.07 43.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.851 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.2 tptt -79.91 121.53 25.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.954 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 13.6 t80 -93.48 127.4 39.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.693 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -130.75 117.05 18.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.801 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -71.95 -5.52 35.38 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.664 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 34.0 m-20 -47.37 -67.93 0.23 Allowed 'General case' 0 C--O 1.227 -0.115 0 CA-C-O 120.659 0.266 . . . . 0.0 111.183 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.11 -14.9 63.35 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.866 179.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -99.65 24.87 7.73 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.855 0.36 . . . . 0.0 111.189 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.7 mtt85 . . . . . 0 C--O 1.233 0.229 0 CA-C-O 120.93 0.395 . . . . 0.0 110.702 -179.969 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.1 ttm . . . . . 0 N--CA 1.485 1.322 0 CA-C-O 120.817 0.342 . . . . 0.0 111.278 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -89.88 149.96 22.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.022 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.8 ttpm? -64.37 -36.25 83.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.3 tppt? -57.8 -42.06 83.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.996 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -63.45 -50.52 69.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.084 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.9 t -56.07 -47.72 79.99 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.422 0 CA-C-O 120.92 0.39 . . . . 0.0 111.264 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.419 HG23 HD12 ' A' ' 7' ' ' ILE . 80.5 mt -63.64 -35.15 71.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.164 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.34 -24.47 50.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.581 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.424 ' CD2' HG23 ' A' ' 46' ' ' THR . 18.7 t60 -83.44 -25.21 31.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.732 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.444 ' CE2' ' HA ' ' A' ' 16' ' ' VAL . 3.8 m-85 -95.74 -48.64 5.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.957 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 123.45 -28.14 5.59 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.397 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.2 p -150.71 -179.08 6.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.816 0.341 . . . . 0.0 110.784 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -86.32 -53.04 5.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.823 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.75 -28.99 52.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.967 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.63 -45.36 90.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.968 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.444 ' HA ' ' CE2' ' A' ' 10' ' ' PHE . 1.0 OUTLIER -59.51 -29.36 42.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.247 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.54 -24.53 58.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.547 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.3 20.75 4.22 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.573 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -120.7 -42.7 2.51 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.857 0.361 . . . . 0.0 111.031 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.0 mt -93.67 -29.89 15.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 109.04 35.1 2.41 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.5 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 27.3 pt -123.03 -177.97 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.828 0.347 . . . . 0.0 111.114 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.4 m -99.49 176.93 5.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.939 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -69.39 -29.15 66.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.964 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.37 -48.2 76.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.13 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.93 -31.2 68.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.224 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 45.9 t -74.86 -44.49 45.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.097 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.07 -29.8 68.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -73.61 -19.59 60.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.451 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 34.8 m0 -52.72 136.53 33.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.951 0.405 . . . . 0.0 111.194 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.8 mttm -86.97 -167.06 1.75 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.599 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -49.09 -29.23 4.93 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.746 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 33.5 t -130.82 116.15 33.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.738 179.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 12.5 pt -52.32 160.11 1.37 Allowed Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.361 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -49.38 176.44 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.679 2.253 . . . . 0.0 112.571 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -83.23 -31.65 26.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.007 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.36 -21.86 22.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.369 -179.834 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -79.9 -41.43 26.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.892 0.377 . . . . 0.0 110.792 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.415 ' HB1' ' CE2' ' A' ' 52' ' ' TYR . . . -69.08 -25.72 64.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.971 179.672 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 92.0 t80 -68.72 -59.96 2.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.961 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 28.7 mtt180 -56.36 -28.87 60.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.05 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 11.9 mt -58.3 -46.27 86.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.005 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -53.34 -28.98 31.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.171 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.0 mt -88.2 -44.18 15.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.916 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -62.89 -38.93 83.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.108 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.424 HG23 ' CD2' ' A' ' 9' ' ' HIS . 36.4 p -79.63 2.18 23.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.765 -179.652 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 68.71 39.62 1.96 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.954 0.407 . . . . 0.0 111.271 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 71.94 25.4 74.88 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.653 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.45 -50.83 16.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.887 0.375 . . . . 0.0 111.03 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.8 mt -90.9 148.12 22.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.819 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.52 123.65 47.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.938 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.498 ' CE1' ' CD2' ' A' ' 57' ' ' TYR . 14.7 t80 -80.28 130.52 35.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.028 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -126.75 106.31 9.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -59.54 -20.93 59.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.195 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 33.0 m120 -52.23 -28.1 17.32 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.163 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -97.44 -25.75 15.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.191 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.498 ' CD2' ' CE1' ' A' ' 52' ' ' TYR . 24.3 m-85 -98.41 29.51 3.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.975 -179.697 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.3 ptt180 . . . . . 0 CA--C 1.534 0.328 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.869 -179.691 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.6 mtm . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.774 0.321 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -92.79 147.12 23.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.869 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 19.6 tttm -56.98 -30.61 64.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -71.04 -41.88 70.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.956 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -61.74 -52.38 64.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.131 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.2 t -55.06 -47.52 76.97 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.341 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 98.3 mt -64.35 -32.66 58.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.107 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.55 -27.74 51.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.491 179.776 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.401 ' O ' ' CD2' ' A' ' 9' ' ' HIS . 7.6 t60 -84.73 -26.49 27.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.812 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.417 ' CE2' HG13 ' A' ' 16' ' ' VAL . 3.5 m-85 -92.47 -49.87 5.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.965 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 118.01 -27.75 7.29 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.425 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -159.69 159.22 32.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.748 0.308 . . . . 0.0 110.823 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -66.92 -42.18 85.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.921 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.2 ttm180 -58.54 -29.52 66.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.997 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.71 -37.92 82.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.143 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.417 HG13 ' CE2' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -75.62 -34.1 28.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.872 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.85 -28.78 70.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.139 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.7 -30.78 21.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.009 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.96 -53.46 31.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.167 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.4 mt -79.98 -32.46 39.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.935 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 105.5 27.13 5.9 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.49 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 32.7 pt -114.22 -179.2 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.771 0.32 . . . . 0.0 111.119 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 72.5 m -92.25 163.46 13.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -59.35 -30.9 68.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.26 -47.35 84.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.072 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.68 -36.9 74.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.104 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.415 HG12 ' CZ3' ' A' ' 30' ' ' TRP . 48.3 t -70.06 -43.44 79.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.99 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.2 p -70.91 -31.39 67.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.872 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.42 -17.45 63.01 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.528 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.415 ' CZ3' HG12 ' A' ' 27' ' ' VAL . 24.4 m0 -52.35 150.28 4.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.083 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 27.7 mtpt -110.25 -163.52 0.86 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.648 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -49.5 -27.7 4.6 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.014 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.8 t -134.65 115.26 19.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.966 179.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 31.3 pt -56.18 160.68 4.56 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.077 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.411 ' HD3' ' CD1' ' A' ' 30' ' ' TRP . 76.5 Cg_exo -48.54 168.74 0.1 OUTLIER 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.425 2.083 . . . . 0.0 112.599 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -72.86 -44.89 60.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.274 -179.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.16 -13.87 58.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.648 -179.62 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -79.92 -48.87 12.73 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.774 0.321 . . . . 0.0 110.844 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.97 -28.07 69.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.939 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 91.3 t80 -62.84 -56.09 20.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.936 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 37.2 mtt85 -62.27 -31.05 71.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.02 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.5 mt -57.23 -48.27 79.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.131 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -52.54 -29.42 25.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.384 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.8 mt -86.65 -44.88 16.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.913 0.387 . . . . 0.0 111.118 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -62.73 -38.8 82.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.222 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 25.4 p -79.61 3.23 19.63 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.825 -179.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 69.76 29.38 4.13 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.8 0.334 . . . . 0.0 111.312 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.6 22.18 54.3 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.893 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.05 -63.54 1.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.856 0.36 . . . . 0.0 110.988 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.6 mt -96.31 122.49 39.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.756 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.96 145.3 32.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.944 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -73.85 153.08 40.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.012 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.411 ' O ' ' CD2' ' A' ' 57' ' ' TYR . 63.4 mt-30 -142.76 92.88 2.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -57.34 -19.8 24.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.478 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 63.7 m-80 -46.48 -75.0 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.548 -0.297 . . . . 0.0 111.556 -179.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -55.63 -28.99 58.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.882 0.372 . . . . 0.0 111.596 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.411 ' CD2' ' O ' ' A' ' 53' ' ' GLN . 24.5 m-85 -80.22 -12.76 59.6 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.617 -179.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? . . . . . 0 C--N 1.328 -0.343 0 CA-C-O 121.05 0.453 . . . . 0.0 111.101 179.803 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 ptt? . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.851 0.358 . . . . 0.0 111.144 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -88.15 159.22 18.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.97 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 5.2 tttm -69.51 -30.48 68.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.919 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.2 tttm -62.57 -41.03 98.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.992 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -61.43 -47.7 84.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.049 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.7 t -57.23 -43.35 81.7 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.425 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.307 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 60.6 mt -70.96 -35.18 58.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.131 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.37 -23.3 54.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.577 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.436 ' CE1' ' HB ' ' A' ' 46' ' ' THR . 6.2 t60 -84.07 -28.38 27.62 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.775 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.442 ' CE2' ' HA ' ' A' ' 16' ' ' VAL . 3.6 m-85 -93.21 -48.86 6.26 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.95 -179.686 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 108.58 -28.38 11.68 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.414 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.1 p -140.15 162.3 35.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.803 0.335 . . . . 0.0 110.949 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -77.75 -52.82 8.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.844 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -51.15 -30.57 16.99 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.054 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.07 -48.18 74.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.941 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.442 ' HA ' ' CE2' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -60.22 -33.87 55.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.854 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -77.87 -27.26 49.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.181 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.5 ttmt -80.95 -28.8 35.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.047 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.92 -51.69 30.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.191 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 14.9 mt -79.95 -34.05 39.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.052 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 109.72 24.57 5.77 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.601 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 28.6 pt -112.32 -177.1 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.734 0.302 . . . . 0.0 111.086 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 57.6 p -95.1 158.81 15.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.791 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -58.07 -29.96 65.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.972 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.74 -44.23 96.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.174 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.36 -44.8 92.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.093 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.425 HG12 ' CZ3' ' A' ' 30' ' ' TRP . 58.8 t -61.63 -41.34 89.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.123 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.3 p -67.42 -29.02 68.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.844 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -70.34 -21.06 62.94 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.268 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.425 ' CZ3' HG12 ' A' ' 27' ' ' VAL . 32.8 m0 -52.35 137.85 28.17 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.149 0.499 . . . . 0.0 111.279 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.5 pttt -93.32 -166.92 1.61 Allowed 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.997 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -49.18 -28.13 4.2 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-O 120.86 0.362 . . . . 0.0 111.21 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 14.5 t -128.42 119.93 51.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.792 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.407 ' CD1' ' CD1' ' A' ' 42' ' ' LEU . 5.5 pt -60.22 156.12 41.61 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.35 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -53.33 -179.9 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.633 2.222 . . . . 0.0 112.289 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -81.45 -52.35 7.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.841 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 42.5 mtpt -67.06 -20.11 65.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.229 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -79.55 -49.07 12.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.926 0.393 . . . . 0.0 110.075 179.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.72 -29.01 66.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.886 179.429 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 45.4 t80 -78.4 -53.14 7.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.953 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.409 ' HA ' HD12 ' A' ' 44' ' ' ILE . 56.7 mtt-85 -66.06 -21.79 66.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.259 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.435 ' HA ' ' CG2' ' A' ' 45' ' ' VAL . 14.1 mt -67.28 -30.49 70.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.283 -179.6 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -62.62 -51.17 68.35 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.873 0.368 . . . . 0.0 110.631 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.409 HD12 ' HA ' ' A' ' 41' ' ' ARG . 3.6 mp -60.4 -46.87 94.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.008 -0.542 . . . . 0.0 112.244 -179.625 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.435 ' CG2' ' HA ' ' A' ' 42' ' ' LEU . 14.6 m -59.11 -42.49 86.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.814 0.34 . . . . 0.0 111.534 -179.349 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.436 ' HB ' ' CE1' ' A' ' 9' ' ' HIS . 40.1 p -83.43 39.06 0.64 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.845 -179.379 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 49.26 27.22 1.79 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.705 0.288 . . . . 0.0 111.668 179.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 76.8 3.26 79.42 Favored Glycine 0 CA--C 1.519 0.322 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.95 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.35 -48.65 80.35 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.889 0.376 . . . . 0.0 111.133 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 29.1 mt -79.94 113.48 18.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.687 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.93 125.02 29.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.018 -179.793 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.414 ' CZ ' ' HG2' ' A' ' 54' ' ' GLU . 10.9 t80 -81.82 127.89 33.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.72 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -121.49 127.46 51.07 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.585 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.414 ' HG2' ' CZ ' ' A' ' 52' ' ' TYR . 33.2 mt-10 -88.29 24.04 2.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.611 -179.67 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.8 p-10 -60.68 -52.83 63.47 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 120.928 0.394 . . . . 0.0 110.225 179.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -96.26 14.72 23.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.455 179.013 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -132.21 27.42 4.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.719 -179.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 . . . . . 0 C--O 1.236 0.345 0 CA-C-O 121.002 0.429 . . . . 0.0 110.737 -179.547 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.314 0 CA-C-O 120.818 0.342 . . . . 0.0 111.236 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -96.31 146.58 24.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 9.4 tttt -57.99 -29.45 65.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.048 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.4 ttpm? -61.92 -47.24 85.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.023 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -60.68 -51.38 69.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.91 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.2 t -53.46 -51.67 39.58 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.354 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.438 HG21 HD11 ' A' ' 7' ' ' ILE . 54.1 mt -59.24 -26.96 35.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.184 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.77 -28.38 55.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.912 0.387 . . . . 0.0 110.362 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.426 ' CE1' ' HB ' ' A' ' 46' ' ' THR . 24.1 t60 -86.05 -31.46 21.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.678 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.423 ' CD2' HG11 ' A' ' 16' ' ' VAL . 42.7 m-85 -92.69 -29.45 16.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.094 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 90.56 -49.35 3.15 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.262 -179.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -132.86 140.06 47.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.842 0.353 . . . . 0.0 110.63 179.742 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -49.01 -51.89 28.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.268 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.42 -36.55 10.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.342 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.02 -51.02 71.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.923 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.423 HG11 ' CD2' ' A' ' 10' ' ' PHE . 0.6 OUTLIER -54.58 -31.68 23.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.156 179.868 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.94 -26.08 68.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.359 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.0 mttm -76.12 -52.25 10.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.935 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.28 -39.01 81.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.05 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.99 -30.8 19.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.012 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 86.86 28.47 26.09 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.557 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 24.9 pt -111.55 -179.17 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.839 0.352 . . . . 0.0 111.066 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 28.9 t -87.06 160.56 18.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -61.52 -31.61 71.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.33 -44.12 84.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.188 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.68 -30.24 65.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.216 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.424 HG13 ' CE3' ' A' ' 30' ' ' TRP . 27.4 t -75.48 -56.71 7.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.193 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.98 -26.62 62.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.025 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -75.19 -17.03 60.45 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-O 121.031 0.443 . . . . 0.0 111.684 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.424 ' CE3' HG13 ' A' ' 27' ' ' VAL . 32.4 m0 -53.56 129.68 33.44 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.911 0.386 . . . . 0.0 111.065 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.8 pttt -80.12 -168.34 1.62 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.628 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -47.94 -30.73 4.48 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.093 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.6 t -128.34 116.84 43.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.043 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 10.7 pt -51.97 161.1 1.0 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.36 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.402 ' HD3' ' CD1' ' A' ' 30' ' ' TRP . 52.1 Cg_exo -53.14 164.1 1.93 Allowed 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.623 2.215 . . . . 0.0 112.538 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.454 ' HG2' ' OH ' ' A' ' 52' ' ' TYR . 1.1 tm-20 -72.68 -35.84 67.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.096 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.2 mmtp -87.75 -19.33 27.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.53 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -79.86 -43.93 21.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.825 0.345 . . . . 0.0 110.668 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.415 ' HB2' ' CE2' ' A' ' 52' ' ' TYR . . . -64.97 -26.65 68.39 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.937 179.706 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -72.0 -37.19 69.86 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.973 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 27.3 mtp180 -78.0 -29.0 49.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.031 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.414 ' HA ' ' CG2' ' A' ' 45' ' ' VAL . 53.8 mt -66.2 -32.6 74.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.173 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -66.96 -22.63 65.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.314 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.8 mt -88.56 -51.98 11.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.825 0.345 . . . . 0.0 111.319 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.414 ' CG2' ' HA ' ' A' ' 42' ' ' LEU . 6.4 m -59.91 -39.5 80.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.458 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.426 ' HB ' ' CE1' ' A' ' 9' ' ' HIS . 30.7 p -79.75 12.78 2.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.011 -0.54 . . . . 0.0 112.121 -179.375 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 61.32 30.71 19.22 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.819 0.342 . . . . 0.0 111.122 179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 72.76 22.28 79.15 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.696 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.34 -32.41 70.06 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.89 0.376 . . . . 0.0 110.819 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.5 mt -116.95 126.42 52.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.588 179.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 7.8 tttt -79.92 113.11 17.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.038 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.502 ' CZ ' ' CD2' ' A' ' 57' ' ' TYR . 14.4 t80 -61.15 118.57 6.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -106.25 112.53 25.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.973 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -62.04 -17.89 58.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.353 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 18.6 m-20 -48.92 -38.32 22.48 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 120.815 0.341 . . . . 0.0 111.131 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -98.23 17.64 18.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.3 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.502 ' CD2' ' CZ ' ' A' ' 52' ' ' TYR . 28.3 m-85 -146.45 29.59 1.04 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.05 0.453 . . . . 0.0 110.913 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.935 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mtm . . . . . 0 N--CA 1.485 1.3 0 CA-C-O 120.851 0.358 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -93.46 143.7 26.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 18.5 tttt -58.22 -44.22 88.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.955 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.96 -35.74 35.11 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.222 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 -75.18 -53.37 8.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.817 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.6 t -53.74 -49.61 56.42 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.171 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 40.0 mm -59.12 -33.08 49.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.083 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.2 -24.98 54.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.664 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.406 ' CD2' HG21 ' A' ' 46' ' ' THR . 11.2 t60 -82.65 -31.53 28.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.331 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.425 ' CD2' HG12 ' A' ' 16' ' ' VAL . 37.9 m-85 -94.36 -30.29 14.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.254 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 92.03 -48.72 2.73 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.715 -0.755 . . . . 0.0 111.998 -179.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.4 p -124.09 -179.36 4.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.821 0.343 . . . . 0.0 110.44 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.9 mm100 -86.9 -55.66 3.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.929 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -48.63 -29.78 4.71 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.217 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.76 -52.01 62.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.995 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.425 HG12 ' CD2' ' A' ' 10' ' ' PHE . 1.3 t -54.81 -45.59 74.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.089 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.66 -30.95 71.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.077 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.18 -30.36 69.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.943 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -89.72 -38.63 13.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.154 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.01 -27.91 39.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.989 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 99.35 -11.33 61.65 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.742 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 41.5 pt -79.87 -179.23 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.796 0.331 . . . . 0.0 111.249 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.6 m -95.53 164.36 12.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.978 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -60.19 -31.1 69.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.963 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.39 -47.66 84.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.128 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.79 -39.48 85.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.06 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.413 HG11 ' CZ3' ' A' ' 30' ' ' TRP . 45.1 t -70.13 -44.54 78.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.162 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 35.4 t -67.85 -30.64 70.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.946 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -75.18 -12.14 60.23 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.551 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.439 ' CE3' ' CG2' ' A' ' 34' ' ' ILE . 29.5 m0 -55.17 170.98 0.17 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.87 0.367 . . . . 0.0 110.983 -179.828 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.7 mmmp? -134.22 -163.8 1.42 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.384 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -47.99 -28.91 3.02 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.091 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 26.6 t -134.96 112.46 14.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.106 179.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.439 ' CG2' ' CE3' ' A' ' 30' ' ' TRP . 8.6 pt -56.3 152.81 21.72 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.108 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.465 ' HG2' ' HB2' ' A' ' 38' ' ' ASP . 3.4 Cg_endo -49.27 179.56 0.02 OUTLIER 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.527 2.151 . . . . 0.0 112.049 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -76.57 -65.74 0.9 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.26 -0.427 . . . . 0.0 112.03 -179.154 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.7 pttm -54.31 -24.38 18.93 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 -178.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.465 ' HB2' ' HG2' ' A' ' 35' ' ' PRO . 55.8 m-20 -79.67 -49.66 11.79 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.934 0.397 . . . . 0.0 110.197 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.75 -26.32 65.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.813 179.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 91.6 t80 -73.72 -57.07 4.24 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.864 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.6 mtp85 -64.01 -29.69 70.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.079 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.414 ' CD1' ' CD1' ' A' ' 34' ' ' ILE . 6.1 mt -57.95 -38.1 75.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.087 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -63.33 -17.29 62.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.318 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.8 mt -91.1 -49.86 13.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.774 0.321 . . . . 0.0 111.481 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.4 m -61.03 -37.62 77.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.287 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.406 HG21 ' CD2' ' A' ' 9' ' ' HIS . 77.2 p -79.93 4.42 16.86 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.699 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 67.3 32.02 6.19 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 120.844 0.354 . . . . 0.0 110.854 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 78.63 24.93 61.64 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.511 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.1 -54.71 42.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.86 0.362 . . . . 0.0 110.998 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.6 mt -90.65 163.11 14.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.792 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.8 ttmt -116.78 110.88 18.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.954 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.531 ' CZ ' ' CD2' ' A' ' 57' ' ' TYR . 20.9 t80 -61.17 137.05 58.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.963 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -128.38 109.78 11.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.04 -33.17 50.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.238 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.26 -22.87 32.64 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.863 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.409 ' O ' ' CD1' ' A' ' 57' ' ' TYR . . . -102.29 16.4 26.3 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.68 0.276 . . . . 0.0 111.518 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.531 ' CD2' ' CZ ' ' A' ' 52' ' ' TYR . 29.4 m-85 -153.07 28.74 0.51 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.945 0.402 . . . . 0.0 110.863 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.1 tpt180 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.122 179.592 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.319 0 CA-C-O 120.797 0.332 . . . . 0.0 111.246 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -88.93 145.5 25.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.834 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.33 -32.63 68.7 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.022 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.9 tptm -64.6 -30.47 71.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.926 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -73.35 -47.81 39.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.94 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.9 t -56.79 -46.55 83.38 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.424 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.084 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 81.9 mt -63.7 -37.35 79.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.118 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.64 -23.66 56.33 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.373 179.583 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.406 ' O ' ' CD2' ' A' ' 9' ' ' HIS . 5.6 t60 -82.75 -27.48 31.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.575 179.702 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.435 ' CE2' ' HA ' ' A' ' 16' ' ' VAL . 3.2 m-85 -96.04 -47.65 6.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.974 -179.732 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 115.34 -30.41 6.75 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.441 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 72.9 p -143.21 179.78 6.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.865 0.364 . . . . 0.0 110.816 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 -89.98 -53.03 4.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.006 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 38.2 ttt180 -51.66 -30.33 21.33 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.233 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.16 -47.82 78.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.946 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.435 ' HA ' ' CE2' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -61.45 -36.87 75.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.967 -179.935 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.43 -32.11 70.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.11 -29.1 54.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.966 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.94 -52.81 25.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.289 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.9 mt -79.89 -33.12 40.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.036 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 107.89 26.64 5.46 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.513 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 41.1 pt -113.54 -178.62 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.793 0.33 . . . . 0.0 111.083 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.3 m -93.97 164.13 13.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.856 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 19.6 p-10 -59.46 -31.68 69.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.49 -40.63 97.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.089 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.89 -37.37 84.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.019 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.423 HG13 ' CZ3' ' A' ' 30' ' ' TRP . 33.8 t -67.04 -51.88 49.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.135 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.8 t -66.23 -32.16 73.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.955 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -65.09 -22.71 66.99 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.305 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.423 ' CZ3' HG13 ' A' ' 27' ' ' VAL . 47.6 m0 -54.35 163.09 0.92 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.173 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.54 -163.5 0.86 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.951 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -49.86 -33.8 18.08 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.826 0.346 . . . . 0.0 110.989 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 24.5 t -123.06 122.32 65.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.786 0.327 . . . . 0.0 110.97 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 12.6 pt -54.98 151.49 16.0 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.278 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -50.62 156.88 3.92 Favored 'Trans proline' 0 C--N 1.343 0.266 0 C-N-CA 122.727 2.285 . . . . 0.0 112.37 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -65.86 -28.92 69.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.277 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 47.6 mttt -89.99 -24.87 21.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.592 -179.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -79.77 -37.2 35.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.847 0.355 . . . . 0.0 110.735 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.414 ' HB3' ' CE2' ' A' ' 52' ' ' TYR . . . -68.28 -25.53 65.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.517 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -70.41 -56.71 5.98 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.934 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.72 -28.95 67.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.112 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.402 ' HA ' ' CG2' ' A' ' 45' ' ' VAL . 12.8 mt -56.06 -39.86 72.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.081 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -58.85 -20.36 50.11 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.412 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.8 mt -88.93 -50.79 13.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.86 0.362 . . . . 0.0 111.439 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.402 ' CG2' ' HA ' ' A' ' 42' ' ' LEU . 2.7 m -63.3 -37.53 79.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.628 -179.605 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 76.8 p -81.53 11.58 4.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.984 -179.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 62.9 28.53 16.39 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.832 0.348 . . . . 0.0 111.27 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 77.32 20.75 74.48 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.811 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.15 -43.93 66.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.901 0.381 . . . . 0.0 110.904 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 58.5 mt -91.87 113.36 25.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.704 179.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.96 125.64 30.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.982 -179.784 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.427 ' CE1' ' CD2' ' A' ' 57' ' ' TYR . 9.6 t80 -78.13 136.02 37.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.803 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.6 mp0 -127.7 102.63 6.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.887 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -55.21 -25.9 35.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.11 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -57.43 -29.14 63.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.857 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -100.17 16.72 23.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.427 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.427 ' CD2' ' CE1' ' A' ' 52' ' ' TYR . 71.4 m-85 -142.07 23.11 2.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.811 -179.626 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.226 0 CA-C-O 120.873 0.368 . . . . 0.0 110.645 -179.577 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.4 ttm . . . . . 0 N--CA 1.488 1.425 0 CA-C-O 120.893 0.378 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -82.47 154.47 25.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.919 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 10.1 tttt -71.16 -30.82 66.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.953 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.3 ttpm? -64.48 -36.87 85.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.13 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.42 -50.08 49.19 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.096 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.9 t -56.05 -49.47 75.45 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.346 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.411 HD13 HG23 ' A' ' 7' ' ' ILE . 52.1 mt -61.93 -29.13 45.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.13 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.41 -25.24 54.3 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.879 0.371 . . . . 0.0 110.557 179.796 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.419 ' CE1' ' HB ' ' A' ' 46' ' ' THR . 16.3 t60 -84.86 -33.78 22.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.521 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.431 ' CE2' HG13 ' A' ' 16' ' ' VAL . 28.5 m-85 -88.9 -41.83 12.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.192 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.68 -29.03 10.35 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.265 -179.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -146.93 136.47 22.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.73 0.3 . . . . 0.0 110.595 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -51.06 -49.78 59.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.239 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -45.95 -42.32 12.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.449 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.84 -49.38 77.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.082 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.431 HG13 ' CE2' ' A' ' 10' ' ' PHE . 0.8 OUTLIER -58.45 -49.32 82.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.109 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.13 -31.01 69.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.043 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.4 mmtt -74.82 -34.89 62.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.65 -41.74 65.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.108 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 53.9 mt -82.8 -31.07 28.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.035 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 106.71 -7.75 39.24 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.785 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 43.5 pt -79.99 -178.89 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.737 0.303 . . . . 0.0 111.094 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.4 m -85.43 153.83 22.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.842 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -60.34 -31.34 70.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.902 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.85 -40.0 91.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.952 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.13 -31.76 69.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.945 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.417 HG12 ' CZ3' ' A' ' 30' ' ' TRP . 48.5 t -69.1 -42.74 81.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.986 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.87 -28.99 64.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.881 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -74.4 -14.71 60.9 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.293 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.417 ' CZ3' HG12 ' A' ' 27' ' ' VAL . 16.7 m0 -52.7 169.27 0.09 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.771 0.319 . . . . 0.0 111.151 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.71 -164.27 1.35 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.826 -179.772 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -49.48 -28.31 5.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.647 0.26 . . . . 0.0 111.173 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 23.5 t -135.27 119.01 24.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.981 179.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.414 HG22 ' CD2' ' A' ' 30' ' ' TRP . 29.9 pt -61.89 158.78 40.86 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.251 -179.76 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -50.96 157.67 3.7 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.553 2.169 . . . . 0.0 112.613 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.401 ' HG2' ' HB3' ' A' ' 57' ' ' TYR . 0.5 OUTLIER -59.72 -49.7 76.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.373 -179.808 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.23 -15.66 60.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.684 -179.45 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -79.77 -48.23 13.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.908 0.385 . . . . 0.0 110.877 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.421 ' HB2' ' CE2' ' A' ' 52' ' ' TYR . . . -64.44 -24.27 67.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.031 179.754 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -66.48 -70.29 0.25 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.001 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.2 mtp85 -58.44 -28.31 65.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.15 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.403 ' HA ' HG22 ' A' ' 45' ' ' VAL . 7.6 mt -58.96 -34.76 72.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.119 -179.774 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -71.18 -29.53 65.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.993 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.9 mt -78.87 -45.53 24.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.246 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.403 HG22 ' HA ' ' A' ' 42' ' ' LEU . 12.4 m -57.48 -41.1 78.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.334 -179.821 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.419 ' HB ' ' CE1' ' A' ' 9' ' ' HIS . 60.7 p -83.16 32.6 0.44 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.996 -0.547 . . . . 0.0 112.09 -179.411 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 46.97 38.04 5.74 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.736 0.303 . . . . 0.0 111.566 179.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 66.56 23.07 71.95 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.539 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.42 -33.61 72.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.932 0.396 . . . . 0.0 110.942 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -106.27 -176.6 3.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.709 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.94 118.72 14.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.93 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.421 ' CE2' ' HB2' ' A' ' 39' ' ' ALA . 30.0 t80 -60.83 145.58 49.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.833 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.41 ' O ' ' CD2' ' A' ' 57' ' ' TYR . 51.2 mt-30 -131.66 88.86 2.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.008 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 22.1 pt-20 -58.79 -20.22 47.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.224 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -52.06 -48.9 64.39 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.399 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -86.2 5.73 32.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.631 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.41 ' CD2' ' O ' ' A' ' 53' ' ' GLN . 44.5 m-85 -115.89 -17.06 11.08 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.707 0.289 . . . . 0.0 111.361 -179.778 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.1 ptt180 . . . . . 0 C--N 1.331 -0.204 0 CA-C-O 120.825 0.345 . . . . 0.0 110.82 -179.905 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.5 mtm . . . . . 0 N--CA 1.487 1.407 0 CA-C-O 120.79 0.328 . . . . 0.0 111.095 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -88.89 146.47 24.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.945 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 47.2 tttt -57.93 -44.25 86.78 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.059 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.3 ttmm -51.5 -41.63 61.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.264 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -61.91 -52.78 62.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.01 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.8 t -56.97 -39.23 64.31 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.267 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 41.0 mm -71.55 -36.33 59.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.134 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.99 -24.88 55.36 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.404 179.806 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.401 ' O ' ' CD2' ' A' ' 9' ' ' HIS . 5.9 t60 -82.85 -27.39 30.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.7 179.743 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.432 ' CE2' ' HA ' ' A' ' 16' ' ' VAL . 2.8 m-85 -95.67 -42.73 8.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.028 -179.66 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 109.08 -30.11 8.99 Favored Glycine 0 N--CA 1.453 -0.205 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.464 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 18.9 p -142.19 171.58 13.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.762 0.315 . . . . 0.0 110.916 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -84.38 -51.74 6.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.834 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -53.27 -29.21 31.79 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.08 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.73 -46.53 81.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.046 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.432 ' HA ' ' CE2' ' A' ' 10' ' ' PHE . 0.4 OUTLIER -59.07 -31.96 46.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.958 -179.939 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.3 -26.86 61.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.197 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.6 ttmt -74.5 -38.12 62.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.033 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.28 -49.74 68.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.162 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.5 mt -79.97 -27.22 39.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.068 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 95.28 26.11 12.87 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.469 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.429 HG21 HD11 ' A' ' 22' ' ' ILE . 26.7 pt -110.87 -177.88 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.739 0.304 . . . . 0.0 111.015 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.2 m -94.34 163.69 13.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.782 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -59.27 -31.16 68.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.927 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.01 -46.29 88.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.099 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.404 ' O ' ' CD1' ' A' ' 30' ' ' TRP . . . -59.11 -35.98 74.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.157 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 44.8 t -72.76 -45.13 57.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.032 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 40.5 t -68.01 -29.6 68.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.986 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -76.02 -17.67 59.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.004 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.417 ' CE3' HG22 ' A' ' 34' ' ' ILE . 32.5 m0 -52.79 150.29 5.45 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.909 0.385 . . . . 0.0 111.149 -179.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.39 -169.81 1.65 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.315 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -47.65 -29.1 2.73 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.017 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 32.5 t -128.44 116.34 41.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.805 179.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.417 HG22 ' CE3' ' A' ' 30' ' ' TRP . 11.0 pt -53.85 160.99 1.86 Allowed Pre-proline 0 C--N 1.331 -0.223 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.391 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -53.89 165.76 1.76 Allowed 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.655 2.237 . . . . 0.0 112.489 -179.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -71.43 -33.0 69.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.37 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.9 mttm -90.02 -20.21 23.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.796 -179.402 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -79.73 -40.87 27.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.837 0.351 . . . . 0.0 110.636 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.425 ' HB3' ' CE2' ' A' ' 52' ' ' TYR . . . -64.32 -25.72 68.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.974 179.666 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -67.37 -70.42 0.25 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.038 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 19.0 mtp180 -54.92 -27.44 43.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.261 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.8 mt -59.56 -34.42 72.67 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.965 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -68.84 -21.93 64.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.297 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.7 mt -85.98 -49.64 15.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.309 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.4 m -57.55 -36.81 55.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.427 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.401 ' CG2' ' NE2' ' A' ' 9' ' ' HIS . 17.5 p -81.95 9.53 8.1 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.814 -179.547 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 65.28 32.84 9.61 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.803 0.335 . . . . 0.0 111.119 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 76.97 27.66 60.01 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.612 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.76 -50.47 17.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.833 0.349 . . . . 0.0 110.994 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.9 mt -93.2 115.64 28.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.806 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.0 124.7 28.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.981 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.505 ' CE1' ' CD2' ' A' ' 57' ' ' TYR . 16.9 t80 -66.25 149.92 49.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.786 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.434 ' O ' ' CD2' ' A' ' 57' ' ' TYR . 45.6 mt-30 -144.78 108.88 4.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.884 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.16 -15.31 45.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.608 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -45.68 -52.61 10.58 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.706 0.289 . . . . 0.0 111.551 -179.695 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -78.28 -24.28 46.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.984 0.421 . . . . 0.0 111.421 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.505 ' CD2' ' CE1' ' A' ' 52' ' ' TYR . 2.3 m-85 -105.34 38.36 1.98 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.819 -179.612 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.522 -0.103 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.118 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.7 ptp . . . . . 0 N--CA 1.487 1.407 0 CA-C-O 120.865 0.364 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -83.66 136.61 34.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.934 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.3 tttp -57.66 -28.25 63.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.116 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.5 tptm -60.63 -49.83 75.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.064 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.86 -47.1 86.1 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.0 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.0 t -55.52 -55.14 18.76 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.438 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.293 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 63.9 mt -59.15 -31.84 46.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.061 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.9 -24.51 52.52 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.492 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.42 ' CD2' HG21 ' A' ' 46' ' ' THR . 31.7 t60 -84.46 -32.03 24.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.592 179.807 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.43 ' CE2' HG12 ' A' ' 16' ' ' VAL . 36.5 m-85 -92.54 -35.76 13.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.031 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 92.57 -46.33 2.55 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.202 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 60.1 p -130.0 147.6 51.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.778 0.323 . . . . 0.0 110.725 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -58.21 -55.39 35.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.96 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.5 tpt180 -45.52 -32.41 2.23 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.285 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.27 -54.63 37.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.833 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.43 HG12 ' CE2' ' A' ' 10' ' ' PHE . 1.1 t -57.46 -39.95 71.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.111 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.43 -30.89 69.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.174 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.7 tttp -79.5 -37.11 37.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.988 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.51 -41.79 60.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.189 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 55.8 mt -80.05 -33.81 38.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.993 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 100.67 27.24 7.64 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.499 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 36.2 pt -116.93 -179.25 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.841 0.353 . . . . 0.0 111.072 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 29.4 t -89.57 160.67 16.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.914 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -60.37 -31.7 70.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.851 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.76 -42.73 90.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.111 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.405 ' O ' ' CD1' ' A' ' 30' ' ' TRP . . . -59.43 -31.0 68.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.08 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 41.9 t -75.6 -46.88 35.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.152 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.86 -37.94 85.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.957 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -60.27 -20.04 57.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.106 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.405 ' CD1' ' O ' ' A' ' 26' ' ' ALA . 42.6 m0 -53.05 157.54 1.74 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.867 0.365 . . . . 0.0 111.378 -179.783 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.2 pttt -119.32 -163.25 0.96 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.814 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -46.7 -36.65 7.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.694 0.283 . . . . 0.0 111.175 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 24.2 t -122.91 117.33 51.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.841 0.353 . . . . 0.0 110.929 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 8.6 pt -55.42 159.22 4.78 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.3 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -53.1 157.7 7.99 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.661 2.241 . . . . 0.0 112.4 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.423 ' HG3' ' CD1' ' A' ' 57' ' ' TYR . 6.1 tt0 -68.23 -32.84 73.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.463 -179.649 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.4 pttt -89.95 -22.78 21.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.778 -179.315 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 -79.89 -40.49 28.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.852 0.358 . . . . 0.0 110.602 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.411 ' HB3' ' CE2' ' A' ' 52' ' ' TYR . . . -64.93 -27.88 69.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.833 179.604 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -67.73 -57.39 6.43 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.918 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -62.36 -29.55 70.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.994 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 18.3 mt -57.19 -51.03 70.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.087 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.84 -47.17 64.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.175 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.8 mt -71.11 -44.68 74.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.329 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.72 -37.38 75.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.42 -179.758 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.42 HG21 ' CD2' ' A' ' 9' ' ' HIS . 31.4 p -88.26 37.78 0.83 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.757 -179.459 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 46.89 28.83 0.9 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.732 0.301 . . . . 0.0 111.694 179.581 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 70.41 31.59 68.43 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.517 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.79 -45.3 71.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.798 0.332 . . . . 0.0 111.116 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.0 mt -94.36 176.44 6.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.792 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.3 ptmt -126.33 125.75 42.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.958 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.467 ' CE1' ' CD2' ' A' ' 57' ' ' TYR . 7.3 t80 -83.98 115.45 22.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.97 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -108.75 138.32 45.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.62 179.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -90.1 44.69 1.22 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.905 0.383 . . . . 0.0 111.244 -179.692 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 69.5 m-20 -90.28 -74.79 0.48 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.564 179.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.93 -13.96 62.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.171 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.467 ' CD2' ' CE1' ' A' ' 52' ' ' TYR . 21.9 m-85 -89.17 12.33 16.15 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.345 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.33 0 CA-C-O 121.085 0.469 . . . . 0.0 111.042 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.824 0.345 . . . . 0.0 111.185 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -88.96 144.96 25.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.004 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 6.1 tttm -61.69 -42.76 99.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.044 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 17.3 tttm -53.53 -25.58 17.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.325 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -76.16 -47.71 23.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.096 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.9 t -54.94 -56.74 9.33 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.398 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.371 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.0 mp -59.92 -24.93 31.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.963 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.5 -28.25 56.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.012 0.434 . . . . 0.0 110.147 179.551 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.437 ' CE1' ' HB ' ' A' ' 46' ' ' THR . 3.3 t60 -90.08 -29.47 18.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.453 179.674 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.429 ' CE2' ' HA ' ' A' ' 16' ' ' VAL . 2.5 m-85 -91.84 -46.3 7.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.1 -179.528 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 106.86 -40.4 2.52 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.505 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 13.2 p -126.5 175.55 7.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.821 0.344 . . . . 0.0 110.96 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -88.05 -50.6 6.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.88 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.8 ttt180 -54.42 -30.36 52.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.946 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.02 -45.78 92.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.844 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.429 ' HA ' ' CE2' ' A' ' 10' ' ' PHE . 0.5 OUTLIER -60.49 -39.46 81.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.2 -28.5 69.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.096 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.0 mmtt -90.11 16.46 8.4 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.455 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -111.47 -42.21 3.93 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.875 0.369 . . . . 0.0 111.094 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -97.75 -30.13 12.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.939 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 113.0 28.11 3.49 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.462 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.406 HD11 HG22 ' A' ' 22' ' ' ILE . 32.8 pt -114.53 -178.92 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.794 0.331 . . . . 0.0 111.163 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.1 p -97.33 165.15 12.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.992 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -59.91 -30.94 69.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.944 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.02 -46.36 91.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.105 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.21 -37.17 76.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.146 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 61.7 t -70.76 -38.86 74.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.026 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 18.7 m -69.19 -28.9 66.8 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.967 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -78.67 -17.06 56.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.388 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.423 ' CD2' HG23 ' A' ' 34' ' ' ILE . 26.4 m0 -52.91 125.11 15.99 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.833 0.349 . . . . 0.0 111.119 -179.799 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.6 pttm -87.99 -163.92 1.03 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.929 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -49.37 -27.76 4.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.684 0.278 . . . . 0.0 111.168 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.6 t -131.36 120.37 45.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.109 0.48 . . . . 0.0 111.132 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.423 HG23 ' CD2' ' A' ' 30' ' ' TRP . 20.3 pt -70.78 159.8 84.1 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.187 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -49.24 158.34 1.56 Allowed 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.701 2.268 . . . . 0.0 112.633 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -68.76 -28.95 67.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.138 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.83 -22.56 22.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.506 -179.585 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -79.79 -44.59 20.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.825 0.345 . . . . 0.0 110.559 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.426 ' HB2' ' CE2' ' A' ' 52' ' ' TYR . . . -65.55 -24.61 67.14 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.833 179.552 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -66.8 -58.73 4.47 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.918 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 17.9 mtm180 -57.61 -37.42 73.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.948 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 19.5 mt -53.85 -52.19 61.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.062 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 50.9 tt0 -50.03 -30.13 10.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.183 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.0 mt -88.94 -44.43 15.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.95 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 22.9 t -65.22 -21.16 28.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.604 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.437 ' HB ' ' CE1' ' A' ' 9' ' ' HIS . 14.7 p -92.36 23.8 3.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.278 -179.679 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 56.45 31.04 18.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.843 0.354 . . . . 0.0 111.082 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 71.05 25.76 75.12 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.528 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -73.12 -54.2 9.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.816 0.341 . . . . 0.0 110.998 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 62.7 mt -80.08 165.39 22.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.821 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.2 tptt -123.32 120.19 32.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.943 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.508 ' CE1' ' CD2' ' A' ' 57' ' ' TYR . 5.3 t80 -78.7 121.97 25.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.021 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -112.48 128.56 56.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.712 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -90.12 37.42 0.89 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.324 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -90.18 -32.17 16.73 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 120.897 0.379 . . . . 0.0 110.579 179.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -102.4 -23.84 13.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.177 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.508 ' CD2' ' CE1' ' A' ' 52' ' ' TYR . 11.3 m-85 -94.06 18.88 9.91 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.227 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.237 0 CA-C-O 120.771 0.319 . . . . 0.0 111.002 179.559 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.1 mmt . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.789 0.328 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -73.5 125.59 28.29 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.734 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 19.8 ttpt -52.95 -28.19 22.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.099 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.0 tttp -57.32 -44.77 84.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.869 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -70.07 -45.18 67.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.721 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.8 t -57.15 -52.88 50.68 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.473 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.02 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.457 HD12 HG23 ' A' ' 7' ' ' ILE . 64.7 mt -55.98 -29.39 26.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.083 179.789 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.92 -29.41 50.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.31 179.705 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -84.08 -31.6 25.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.369 179.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.435 ' CD2' HG13 ' A' ' 16' ' ' VAL . 37.9 m-85 -90.64 -28.96 18.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.985 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 92.98 -45.28 2.48 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.415 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -145.46 -177.64 5.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.812 0.339 . . . . 0.0 110.707 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -75.22 -43.32 52.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.84 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.07 -38.19 70.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.072 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.48 -39.03 82.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.085 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.435 HG13 ' CD2' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -77.86 -42.13 28.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.948 179.812 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.07 -36.27 65.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.314 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.0 pttt -77.21 -26.59 52.89 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.984 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.96 -59.17 3.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.282 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 11.3 mt -79.81 -23.96 41.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.207 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 97.06 28.29 8.78 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.608 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 31.3 pt -111.22 -179.97 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.78 0.324 . . . . 0.0 111.098 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 73.8 m -95.8 168.61 10.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.792 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -58.31 -30.52 66.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.964 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.43 -44.61 90.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.015 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.9 -46.3 85.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.113 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 58.6 t -68.55 -37.01 77.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.997 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 23.0 t -72.87 -34.7 66.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -68.28 -18.58 64.57 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.146 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.405 ' CE3' HG23 ' A' ' 34' ' ' ILE . 27.1 m0 -53.17 -178.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.929 0.395 . . . . 0.0 111.236 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 29.1 mttm -147.56 -162.95 1.65 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.773 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -49.93 -26.67 4.37 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.189 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 3.5 t -136.2 114.9 15.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.969 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.405 HG23 ' CE3' ' A' ' 30' ' ' TRP . 39.9 pt -65.15 161.0 52.75 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.318 -179.818 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -52.69 163.23 1.99 Allowed 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.471 2.114 . . . . 0.0 112.308 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -72.89 -30.37 63.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.037 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 9.6 mttp -85.07 -23.37 28.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.204 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -79.67 -46.8 16.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.896 0.379 . . . . 0.0 110.067 179.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.402 ' HA ' HD13 ' A' ' 42' ' ' LEU . . . -60.85 -24.63 66.05 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.956 179.256 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 21.6 t80 -68.1 -55.83 11.05 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.172 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.2 mtt85 -55.87 -22.08 23.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.58 -179.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.402 HD13 ' HA ' ' A' ' 39' ' ' ALA . 51.3 mt -52.52 -57.98 8.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.797 0.332 . . . . 0.0 111.344 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -53.81 -23.74 13.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.596 -179.665 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.8 mt -85.97 -50.66 14.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.736 0.303 . . . . 0.0 111.35 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.436 ' CG1' ' N ' ' A' ' 46' ' ' THR . 0.6 OUTLIER -71.73 -42.91 70.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.037 0.446 . . . . 0.0 111.484 -179.596 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.436 ' N ' ' CG1' ' A' ' 45' ' ' VAL . 19.2 p -79.82 3.95 18.01 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.901 -179.583 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 62.79 30.2 16.71 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.811 0.339 . . . . 0.0 111.237 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 80.74 27.07 52.16 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.532 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.61 -50.98 71.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.862 0.363 . . . . 0.0 110.907 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.8 mp -98.93 -178.07 3.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.754 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.53 103.88 9.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.877 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -71.63 115.77 11.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -123.87 133.18 53.82 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.712 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -90.16 26.05 2.0 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.386 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -72.76 -74.96 0.15 Allowed 'General case' 0 C--O 1.234 0.265 0 CA-C-O 120.756 0.312 . . . . 0.0 110.482 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.11 -18.48 60.93 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.896 0.379 . . . . 0.0 111.008 179.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -79.56 -14.84 58.57 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.184 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 16.3 mtp180 . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 121.129 0.49 . . . . 0.0 110.529 -179.668 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.895 0.379 . . . . 0.0 111.322 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -76.85 159.08 30.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.835 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 11.2 tttt -71.11 -30.14 66.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.934 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 9.8 ttmt -60.67 -44.31 96.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.99 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.13 -51.96 66.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.016 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.4 t -53.81 -53.68 25.07 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.354 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.186 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 52.8 mt -57.85 -29.33 35.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.12 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.19 -27.02 53.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.889 0.376 . . . . 0.0 110.343 179.773 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.413 ' CD2' HG23 ' A' ' 46' ' ' THR . 22.7 t60 -85.69 -30.9 22.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.713 179.792 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.425 ' CE2' HG11 ' A' ' 16' ' ' VAL . 43.2 m-85 -93.8 -34.61 13.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.219 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 92.33 -45.98 2.6 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.19 -179.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 43.2 p -132.85 137.8 46.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.71 0.291 . . . . 0.0 110.527 179.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -50.87 -51.12 54.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.251 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.1 tpp180 -46.95 -34.14 5.26 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.291 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.43 -51.49 65.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.024 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.425 HG11 ' CE2' ' A' ' 10' ' ' PHE . 0.5 OUTLIER -54.75 -43.64 67.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.187 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.7 -28.57 67.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.136 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.88 -30.85 62.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.001 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -79.65 -36.25 38.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.208 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.7 mt -89.49 -31.17 17.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.901 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 92.95 26.75 15.59 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.371 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 39.9 pt -112.43 -178.01 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.826 0.345 . . . . 0.0 111.051 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.2 p -84.79 161.64 19.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.841 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -65.61 -32.34 73.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.91 -43.85 97.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.119 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.54 -32.74 70.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.12 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.404 HG12 ' CZ3' ' A' ' 30' ' ' TRP . 47.8 t -72.76 -43.04 61.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.095 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.7 t -71.03 -30.46 66.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.909 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -72.68 -13.95 61.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.478 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.406 ' CD1' ' HD3' ' A' ' 35' ' ' PRO . 20.1 m0 -54.97 129.66 38.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.934 0.397 . . . . 0.0 111.176 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.14 -164.91 0.95 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.595 179.749 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -47.82 -28.93 2.83 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.025 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.7 t -133.75 124.8 48.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.889 179.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.401 ' CD1' ' CD1' ' A' ' 42' ' ' LEU . 42.4 pt -64.51 158.34 67.53 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.154 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.406 ' HD3' ' CD1' ' A' ' 30' ' ' TRP . 77.7 Cg_exo -50.77 168.66 0.2 Allowed 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.596 2.198 . . . . 0.0 112.643 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.427 ' HG3' ' CD1' ' A' ' 57' ' ' TYR . 4.3 tt0 -67.5 -58.95 3.82 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.34 -179.776 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.0 mttt -65.63 -15.68 62.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.789 -179.406 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -79.85 -53.13 7.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.816 0.341 . . . . 0.0 110.637 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.418 ' HB1' ' CE2' ' A' ' 52' ' ' TYR . . . -62.19 -22.31 65.8 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.493 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 83.4 t80 -72.91 -63.61 1.14 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.026 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 5.0 mtp85 -57.07 -21.23 30.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.423 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.441 ' HA ' ' CG2' ' A' ' 45' ' ' VAL . 15.1 mt -64.52 -40.59 95.92 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.568 -179.501 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -54.83 -52.16 63.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.902 0.382 . . . . 0.0 111.007 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.6 mp -58.65 -47.51 88.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.084 -0.507 . . . . 0.0 112.328 -179.494 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.441 ' CG2' ' HA ' ' A' ' 42' ' ' LEU . 11.3 m -63.76 -41.24 91.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.948 0.404 . . . . 0.0 111.548 -179.258 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.413 HG23 ' CD2' ' A' ' 9' ' ' HIS . 65.2 p -79.7 6.59 10.38 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.854 -179.508 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 63.78 35.24 11.36 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.912 0.387 . . . . 0.0 111.183 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 76.56 26.46 63.16 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.593 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.42 -56.76 17.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.895 0.379 . . . . 0.0 110.939 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.9 mt -98.24 144.95 27.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.62 179.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.45 112.35 24.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.89 0.376 . . . . 0.0 111.217 -179.702 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.499 ' CE1' ' CD2' ' A' ' 57' ' ' TYR . 2.3 t80 -67.79 132.1 46.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.9 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -117.76 143.82 45.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.435 179.682 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -90.25 38.09 0.92 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.786 0.327 . . . . 0.0 111.426 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -90.4 -76.9 0.42 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.563 -0.289 . . . . 0.0 110.94 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.98 -13.35 61.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.827 0.346 . . . . 0.0 111.579 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.499 ' CD2' ' CE1' ' A' ' 52' ' ' TYR . 75.8 m-85 -98.54 26.91 5.14 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.133 0.492 . . . . 0.0 111.187 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.204 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.833 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.852 0.358 . . . . 0.0 111.152 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -91.79 143.67 26.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.729 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.86 -27.35 60.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.037 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.9 tttp -59.26 -50.23 74.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.942 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -58.57 -46.87 86.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.921 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.7 t -57.35 -51.68 66.45 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.489 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.188 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.475 HG23 HD13 ' A' ' 7' ' ' ILE . 57.5 mt -60.23 -27.99 40.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.224 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.58 -26.42 55.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.532 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.457 ' CE1' ' CB ' ' A' ' 49' ' ' ALA . 34.8 t60 -86.33 -32.45 21.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.699 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.427 ' CE2' HG12 ' A' ' 16' ' ' VAL . 45.4 m-85 -92.15 -33.2 14.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.001 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 92.02 -46.87 2.68 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.202 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -134.51 148.52 50.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.734 0.302 . . . . 0.0 110.689 179.751 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -56.02 -51.66 67.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.058 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.6 -39.07 7.22 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.403 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.0 -51.33 70.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.998 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.427 HG12 ' CE2' ' A' ' 10' ' ' PHE . 0.6 OUTLIER -55.59 -44.9 78.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.192 179.921 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.01 -29.03 69.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.165 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.36 22.51 3.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.272 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -132.07 -46.29 0.93 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.746 0.308 . . . . 0.0 111.103 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 16.8 mt -80.27 -31.06 38.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.881 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 109.09 28.13 4.54 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.544 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 41.2 pt -116.63 -179.11 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.858 0.361 . . . . 0.0 110.961 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.1 t -89.83 161.19 16.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -59.67 -30.84 69.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.947 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.14 -33.18 69.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.083 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.36 -43.59 92.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.064 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.427 HG12 ' CZ3' ' A' ' 30' ' ' TRP . 41.7 t -66.35 -47.87 82.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.064 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 18.2 p -67.2 -29.28 68.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.918 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -72.69 -19.43 61.41 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.401 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.427 ' CZ3' HG12 ' A' ' 27' ' ' VAL . 33.1 m0 -52.92 155.92 2.23 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.056 0.455 . . . . 0.0 111.145 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.4 mmtp -107.12 -170.66 1.74 Allowed 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.834 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -48.08 -28.49 2.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.779 0.323 . . . . 0.0 110.95 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 31.7 t -127.02 119.77 53.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 179.653 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.403 HD12 ' CD1' ' A' ' 42' ' ' LEU . 47.2 pt -56.01 156.96 9.14 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.201 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -53.55 -175.05 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.489 2.126 . . . . 0.0 112.256 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 71.1 tt0 -89.95 -41.14 11.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.182 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 9.2 mtpt -81.45 -17.8 47.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.49 -179.584 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -79.75 -47.88 14.54 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 179.681 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.429 ' HB2' ' CD1' ' A' ' 52' ' ' TYR . . . -56.88 -25.83 57.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.852 179.281 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -75.89 -49.62 17.36 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.972 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 18.0 mtt85 -67.53 -30.47 70.14 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.144 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.403 ' CD1' HD12 ' A' ' 34' ' ' ILE . 14.7 mt -58.52 -39.47 80.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.115 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.74 -17.82 65.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.247 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.8 mt -91.14 -48.25 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.032 0.444 . . . . 0.0 111.011 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 16.6 m -61.49 -43.13 96.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.261 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.448 ' CG2' ' CD2' ' A' ' 9' ' ' HIS . 74.7 p -79.83 4.72 15.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.895 -179.491 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 65.88 30.39 9.93 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 120.824 0.345 . . . . 0.0 111.244 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 80.63 26.91 52.94 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.649 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.457 ' CB ' ' CE1' ' A' ' 9' ' ' HIS . . . -68.68 -36.66 78.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.798 0.332 . . . . 0.0 110.975 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 23.4 mt -102.53 -176.53 3.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.763 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -128.26 107.77 10.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.888 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.429 ' CD1' ' HB2' ' A' ' 39' ' ' ALA . 9.2 t80 -74.54 126.51 30.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.866 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.421 ' O ' ' CD2' ' A' ' 57' ' ' TYR . 36.8 mt-30 -128.35 120.7 27.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.566 179.619 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -85.1 19.2 2.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.715 -179.707 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -61.25 -69.13 0.25 Allowed 'General case' 0 CA--C 1.518 -0.287 0 CA-C-O 120.764 0.316 . . . . 0.0 110.326 179.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.23 -13.34 62.13 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-O 120.812 0.339 . . . . 0.0 110.989 179.328 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.421 ' CD2' ' O ' ' A' ' 53' ' ' GLN . 14.6 m-85 -97.4 26.52 4.83 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.0 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 16.1 ttp85 . . . . . 0 C--N 1.327 -0.381 0 CA-C-O 121.09 0.471 . . . . 0.0 110.987 179.95 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.4 ptp . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.837 0.351 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -83.05 139.9 32.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.965 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 34.5 tttt -59.32 -24.39 63.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.059 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.8 -38.38 67.25 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.032 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.98 -48.84 33.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.802 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.1 t -54.29 -57.13 6.8 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.018 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.47 HG21 HD12 ' A' ' 7' ' ' ILE . 46.3 mt -56.86 -26.76 24.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.119 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.96 -27.73 49.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.001 0.429 . . . . 0.0 110.343 179.651 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.433 ' CD2' HG21 ' A' ' 46' ' ' THR . 17.9 t60 -87.43 -29.11 21.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.725 179.78 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.424 ' CE2' HG12 ' A' ' 16' ' ' VAL . 55.0 m-85 -96.43 -27.38 14.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.132 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 92.37 -47.82 2.61 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.12 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.7 p -142.5 155.97 45.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.808 0.337 . . . . 0.0 110.51 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -54.86 -50.69 68.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.997 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.1 ttt-85 -44.9 -40.21 6.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.499 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.62 -51.12 70.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.072 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.424 HG12 ' CE2' ' A' ' 10' ' ' PHE . 0.9 OUTLIER -55.91 -40.92 65.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.199 179.927 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.01 -30.01 70.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.168 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.3 mmtp -76.2 -30.87 58.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.996 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.24 -49.45 17.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.255 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 15.5 mt -79.93 -29.57 39.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.974 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 93.57 28.0 12.08 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.458 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.491 HD13 HG21 ' A' ' 22' ' ' ILE . 31.6 pt -110.01 -179.57 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.82 0.343 . . . . 0.0 111.127 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 91.9 p -88.91 161.65 16.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.895 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.07 -31.39 72.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.944 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.36 -44.16 97.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.02 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.54 -42.89 93.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.083 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 28.7 t -60.9 -52.44 61.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.161 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.8 t -63.19 -36.47 83.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.981 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -61.15 -19.5 61.61 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.562 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 46.7 m0 -53.93 166.94 0.3 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.261 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.4 pttt -126.71 -166.61 1.61 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.16 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -44.67 -30.7 0.98 Allowed 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.386 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 30.5 t -130.51 120.7 49.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.85 179.587 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 12.6 pt -54.59 157.88 4.76 Favored Pre-proline 0 C--N 1.33 -0.239 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.165 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_exo -51.0 171.35 0.12 Allowed 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.543 2.162 . . . . 0.0 112.425 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -77.69 -33.21 53.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.228 -179.745 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.1 mttp -90.02 -20.05 23.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.675 -179.605 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -79.73 -40.44 28.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.814 0.34 . . . . 0.0 110.544 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.404 ' HB2' ' CE2' ' A' ' 52' ' ' TYR . . . -62.92 -26.75 68.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.752 179.523 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 72.0 t80 -74.14 -51.68 14.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.92 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -65.82 -24.15 66.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.096 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.442 ' HA ' ' CG2' ' A' ' 45' ' ' VAL . 9.9 mt -66.52 -34.65 78.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.36 -179.679 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.64 -51.34 70.35 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.976 0.417 . . . . 0.0 110.914 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.5 mp -61.18 -47.01 95.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.985 -0.552 . . . . 0.0 112.421 -179.368 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.442 ' CG2' ' HA ' ' A' ' 42' ' ' LEU . 15.2 m -61.11 -42.33 92.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.881 0.372 . . . . 0.0 111.778 -179.232 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.433 HG21 ' CD2' ' A' ' 9' ' ' HIS . 23.4 p -79.83 6.5 10.88 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.848 -179.568 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 64.87 31.83 11.26 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-O 120.861 0.362 . . . . 0.0 111.121 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 79.61 26.07 57.38 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.673 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.81 -32.12 69.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.912 0.387 . . . . 0.0 110.993 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.5 mt -118.72 117.76 29.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.736 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 6.9 ttpp -79.92 119.49 22.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.073 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.517 ' CE1' ' CD2' ' A' ' 57' ' ' TYR . 12.0 t80 -61.71 139.7 58.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.028 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.41 ' O ' ' CD2' ' A' ' 57' ' ' TYR . 17.7 mm-40 -133.94 126.19 29.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.693 179.719 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -89.16 46.33 1.37 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.183 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -90.16 -54.72 3.9 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.64 179.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -88.61 -18.67 27.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.197 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.517 ' CD2' ' CE1' ' A' ' 52' ' ' TYR . 22.7 m-85 -79.86 -23.86 41.65 Favored 'General case' 0 CA--C 1.528 0.127 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.981 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 7.1 tpm_? . . . . . 0 C--O 1.235 0.313 0 CA-C-O 121.004 0.431 . . . . 0.0 110.695 -179.895 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.855 0.359 . . . . 0.0 111.11 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -89.14 147.35 24.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 7.6 tttt -57.12 -27.14 61.55 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.064 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.66 -48.39 79.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.019 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -61.0 -51.77 67.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.945 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.0 t -54.49 -52.56 38.95 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.434 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.17 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.441 HD13 HG22 ' A' ' 7' ' ' ILE . 57.7 mt -57.66 -27.92 30.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.14 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.36 -28.12 52.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.996 0.427 . . . . 0.0 110.45 179.681 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.42 ' CD2' HG23 ' A' ' 46' ' ' THR . 11.3 t60 -85.33 -30.54 23.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.542 179.812 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.434 ' CE2' HG11 ' A' ' 16' ' ' VAL . 47.6 m-85 -94.38 -27.67 15.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.157 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 88.37 -52.63 4.06 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.279 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -129.98 148.05 51.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.729 0.299 . . . . 0.0 110.674 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -56.55 -53.84 52.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.994 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.99 -31.57 3.3 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.309 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.8 -53.76 51.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.886 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.434 HG11 ' CE2' ' A' ' 10' ' ' PHE . 1.2 t -55.62 -41.02 62.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.077 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.32 -37.25 82.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.09 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.17 22.28 3.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.461 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -125.58 -48.86 1.66 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.795 0.331 . . . . 0.0 111.096 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 11.2 mt -79.97 -30.81 39.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 113.14 27.73 3.59 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.49 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 30.6 pt -122.05 -178.9 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.882 0.372 . . . . 0.0 110.999 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 60.7 p -93.83 162.47 13.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -59.74 -32.15 70.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.853 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.2 -38.91 88.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.137 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.58 -38.11 88.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.146 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.8 t -67.94 -50.78 56.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.094 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.4 m -61.76 -29.71 70.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.941 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -71.84 -22.19 61.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.335 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 46.8 m0 -53.48 125.89 19.57 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.841 0.353 . . . . 0.0 111.063 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.7 mtmm -80.09 -163.49 0.55 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.624 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -49.58 -27.96 5.09 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.652 0.263 . . . . 0.0 110.991 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 16.1 t -127.91 127.15 67.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.839 0.352 . . . . 0.0 110.956 179.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.403 ' CD1' ' CD1' ' A' ' 42' ' ' LEU . 3.8 pt -57.42 154.61 22.55 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.398 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -55.58 162.76 5.96 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.556 2.171 . . . . 0.0 112.26 179.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.34 -54.08 28.83 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.263 -179.758 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.86 -19.3 64.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.558 -179.595 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -79.66 -45.46 19.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.836 0.35 . . . . 0.0 110.276 179.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.405 ' HB2' ' CD1' ' A' ' 52' ' ' TYR . . . -60.15 -28.44 67.91 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.003 179.564 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 92.0 t80 -74.07 -45.46 49.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.99 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -71.07 -30.02 66.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.403 ' CD1' ' CD1' ' A' ' 34' ' ' ILE . 11.8 mt -58.59 -43.45 89.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.06 -179.746 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 59.1 tt0 -49.3 -60.34 2.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.913 0.387 . . . . 0.0 110.77 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.6 mp -56.14 -46.34 81.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.501 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 19.6 t -63.28 -35.75 73.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.51 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.42 HG23 ' CD2' ' A' ' 9' ' ' HIS . 70.7 p -87.58 11.7 14.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.7 -179.762 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 60.83 28.17 17.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.686 0.279 . . . . 0.0 111.143 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 83.35 29.69 32.63 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.665 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -76.82 -42.3 40.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.841 0.353 . . . . 0.0 110.98 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 28.4 mt -108.21 125.58 51.81 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.842 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.06 105.73 13.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.988 -179.797 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.405 ' CD1' ' HB2' ' A' ' 39' ' ' ALA . 29.2 t80 -65.37 135.02 54.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.656 179.77 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -130.66 102.73 6.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.04 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -59.78 -22.59 62.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.952 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 13.0 p30 -57.45 -34.78 69.33 Favored 'General case' 0 C--O 1.224 -0.25 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.833 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -92.67 14.03 18.29 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.023 179.663 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -140.43 22.88 2.35 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.787 0.327 . . . . 0.0 110.906 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 15.8 mtt180 . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.928 -179.875 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.944 0.402 . . . . 0.0 111.175 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -76.33 148.57 37.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.02 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.27 -32.5 70.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.143 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 16.3 ttpp -59.24 -19.97 50.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.495 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.55 -48.17 9.82 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.702 0.287 . . . . 0.0 111.252 -179.752 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.1 t -53.84 -44.74 61.34 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 CA-C-O 120.846 0.355 . . . . 0.0 111.184 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 99.6 mt -70.34 -32.81 51.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.981 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.45 -25.37 50.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.602 179.676 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.6 t60 -84.07 -27.41 28.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.703 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.436 ' CD2' HG13 ' A' ' 16' ' ' VAL . 4.3 m-85 -91.5 -49.94 6.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.992 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 121.03 -29.04 5.9 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.488 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -152.4 179.15 8.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.767 0.318 . . . . 0.0 110.873 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -84.18 -44.54 13.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.894 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 6.9 ttm180 -59.16 -30.86 68.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.931 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.28 -35.28 79.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.072 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.436 HG13 ' CD2' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -82.37 -35.75 13.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 179.917 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.14 -27.38 66.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.252 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.7 -30.94 22.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.919 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.35 -49.49 59.92 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.165 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 20.6 mt -80.03 -33.6 39.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 106.2 27.29 5.65 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.658 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 24.8 pt -112.44 -179.99 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.838 0.351 . . . . 0.0 111.068 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -88.95 161.49 16.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -59.05 -31.35 68.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.975 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.61 -41.54 92.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.04 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.11 -45.07 83.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.118 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.419 HG11 ' CZ3' ' A' ' 30' ' ' TRP . 51.5 t -62.96 -42.05 95.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 76.7 p -71.88 -30.94 65.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.995 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.3 -10.55 59.56 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.545 179.825 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.421 ' CD1' ' HD3' ' A' ' 35' ' ' PRO . 21.1 m0 -58.61 130.29 46.15 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.755 0.312 . . . . 0.0 110.699 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.7 mtmm -81.91 -168.46 1.93 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.272 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -48.2 -37.89 16.96 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.771 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 24.3 t -118.07 122.97 70.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.662 179.503 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 7.9 pt -55.82 157.42 7.95 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.425 -179.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.421 ' HD3' ' CD1' ' A' ' 30' ' ' TRP . 74.9 Cg_exo -49.11 166.52 0.17 Allowed 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.777 2.318 . . . . 0.0 112.76 -179.714 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.421 ' HG2' ' OH ' ' A' ' 52' ' ' TYR . 6.0 tm-20 -74.05 -36.35 64.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.305 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.8 mttt -90.04 -19.61 24.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.723 -179.496 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -79.75 -41.28 26.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.941 0.401 . . . . 0.0 110.665 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.418 ' HB3' ' CE2' ' A' ' 52' ' ' TYR . . . -64.52 -24.66 67.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.21 179.643 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -67.67 -75.34 0.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.276 -179.617 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.4 ptt180 -51.86 -25.33 7.68 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.326 -179.68 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.2 mt -57.74 -37.3 73.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.867 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -63.47 -30.79 71.86 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.884 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.7 mt -79.01 -49.45 20.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.185 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.401 ' CG1' ' N ' ' A' ' 46' ' ' THR . 0.4 OUTLIER -60.09 -39.34 80.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.213 -179.825 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.401 ' N ' ' CG1' ' A' ' 45' ' ' VAL . 72.8 p -82.1 26.51 0.52 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.783 -0.644 . . . . 0.0 112.066 -179.324 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 50.52 27.14 2.71 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.76 0.314 . . . . 0.0 111.462 179.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 76.76 22.64 71.67 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.644 -0.788 . . . . 0.0 112.626 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.6 -54.77 38.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.86 0.362 . . . . 0.0 110.897 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.0 mt -86.96 167.25 14.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.628 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.79 125.45 44.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.923 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.516 ' CE1' ' CD2' ' A' ' 57' ' ' TYR . 13.5 t80 -72.84 130.69 41.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.129 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.471 ' O ' ' CD2' ' A' ' 57' ' ' TYR . 4.9 mt-30 -124.27 124.41 42.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.363 179.659 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -87.58 29.74 0.86 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.665 -179.549 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -90.4 -36.03 14.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.653 0.263 . . . . 0.0 110.526 179.567 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -94.81 -16.52 22.9 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.196 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.516 ' CD2' ' CE1' ' A' ' 52' ' ' TYR . 22.2 m-85 -94.31 22.0 6.45 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.1 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 38.5 mtt-85 . . . . . 0 C--N 1.329 -0.298 0 CA-C-O 120.731 0.3 . . . . 0.0 110.708 -179.601 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 32.2 tpp . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.801 0.334 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -75.44 140.55 42.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.792 179.857 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.22 -40.75 86.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.086 -179.91 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 21.8 ttpt -52.64 -40.92 63.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.242 -179.912 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -60.44 -51.46 69.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.993 179.934 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.8 t -57.97 -41.75 80.97 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.219 -179.931 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 50.3 mm -69.52 -37.19 74.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.268 -179.787 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.8 -24.89 58.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.351 179.747 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -83.51 -25.35 31.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.655 179.808 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.412 ' CE2' HG13 ' A' ' 16' ' ' VAL . 3.1 m-85 -98.01 -43.76 6.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.989 -179.798 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 112.34 -27.38 10.1 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.382 -179.763 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 47.6 p -151.29 179.37 8.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.819 0.342 . . . . 0.0 110.771 179.928 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -89.01 -51.17 5.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.864 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.8 tpp180 -52.29 -29.61 24.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.1 179.855 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.15 -48.43 80.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.989 179.922 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.412 HG13 ' CE2' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -59.99 -32.3 49.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 -179.979 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.22 -29.28 70.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.074 -179.92 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.4 mttt -76.28 -46.2 28.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.902 -179.984 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.35 -47.17 86.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.141 -179.976 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 8.5 mt -84.9 -30.86 24.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.71 26.61 19.48 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.382 -179.932 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 42.2 pt -109.41 -178.71 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.857 0.361 . . . . 0.0 111.083 -179.986 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.73 162.19 16.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 179.915 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -58.88 -30.41 67.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.956 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.48 -45.34 91.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.155 -179.943 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.42 -36.85 74.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.152 179.911 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 45.5 t -75.63 -44.78 40.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.099 179.905 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.4 t -69.35 -30.8 68.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.862 -179.963 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -71.13 -19.75 62.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.255 179.93 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.417 ' CD2' HG21 ' A' ' 34' ' ' ILE . 31.4 m0 -52.34 123.44 10.83 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.89 0.376 . . . . 0.0 111.106 -179.95 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.25 -165.52 0.87 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.489 -179.905 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -49.44 -31.67 10.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.131 179.963 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 24.0 t -127.34 111.66 25.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.011 0.434 . . . . 0.0 111.11 179.919 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.418 HD11 HG22 ' A' ' 34' ' ' ILE . 35.6 pt -58.39 159.31 12.1 Favored Pre-proline 0 C--N 1.331 -0.23 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.19 179.912 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -49.91 161.53 0.93 Allowed 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.646 2.231 . . . . 0.0 112.354 -179.912 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -69.31 -39.87 77.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.136 -179.889 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.3 mmtp -82.6 -17.47 44.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.427 -179.718 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -79.78 -48.75 13.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.789 0.328 . . . . 0.0 110.435 179.733 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.423 ' HB1' ' CE2' ' A' ' 52' ' ' TYR . . . -60.51 -27.58 67.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.798 179.461 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -70.32 -53.39 16.94 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.876 179.855 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.34 -26.48 61.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.052 179.948 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 31.1 mt -59.31 -44.05 92.59 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.076 179.971 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.56 -46.88 70.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.012 179.917 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.9 mm -59.34 -48.42 87.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.975 -179.809 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.8 m -69.49 -39.97 79.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.334 -0.393 . . . . 0.0 112.023 -179.241 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 79.2 p -79.77 14.67 1.63 Allowed 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -179.215 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 58.86 26.72 15.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.746 0.308 . . . . 0.0 111.28 179.625 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 73.43 40.5 47.88 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.628 179.978 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -86.0 -43.91 12.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.912 0.387 . . . . 0.0 110.991 179.968 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 10.5 mt -94.06 124.44 38.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.817 179.87 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 17.3 pttt -80.47 112.18 17.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.06 -179.761 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.506 ' CE1' ' CD2' ' A' ' 57' ' ' TYR . 10.2 t80 -61.95 117.67 6.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.916 179.774 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -99.58 115.94 30.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.934 179.968 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -90.29 34.37 0.87 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.334 -179.9 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -88.61 -45.93 9.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.827 0.346 . . . . 0.0 110.572 179.803 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -89.82 -10.07 46.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.333 179.73 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.506 ' CD2' ' CE1' ' A' ' 52' ' ' TYR . 35.0 m-85 -90.41 11.7 20.73 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.327 -179.935 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.518 -0.267 0 CA-C-O 120.76 0.314 . . . . 0.0 111.0 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 ttm . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.894 0.378 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -86.14 138.56 31.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.46 -31.4 69.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.963 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.71 -31.82 71.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.803 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 47.8 m-20 -79.4 -45.62 19.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.844 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.8 t -56.35 -51.43 64.08 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.182 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 56.3 mt -58.97 -29.4 40.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.184 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.57 -26.21 54.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.977 0.418 . . . . 0.0 110.538 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.423 ' CD2' HG23 ' A' ' 46' ' ' THR . 13.4 t60 -84.65 -30.79 24.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.576 179.758 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.431 ' CE2' HG13 ' A' ' 16' ' ' VAL . 41.4 m-85 -94.68 -29.78 14.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.193 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 87.86 -52.62 4.19 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.136 -179.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 20.8 p -125.24 135.37 52.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.782 0.325 . . . . 0.0 110.472 179.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -50.22 -48.84 54.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.298 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 12.0 mtp180 -47.97 -32.08 6.05 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.181 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.35 -50.84 64.07 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.077 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.431 HG13 ' CE2' ' A' ' 10' ' ' PHE . 0.8 OUTLIER -55.62 -46.17 79.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.071 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.0 -33.21 71.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.097 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -75.01 -30.09 61.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.941 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.19 -49.47 49.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.022 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.1 mt -80.01 -33.62 39.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 106.66 27.61 5.41 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.592 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 29.9 pt -115.42 -179.54 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.829 0.347 . . . . 0.0 111.098 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.2 m -88.08 162.95 16.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 26.0 p-10 -63.14 -32.16 73.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.96 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.1 -43.51 95.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.94 -38.76 79.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.139 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 25.7 t -63.92 -52.12 60.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.169 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.63 -33.53 75.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.32 -21.28 66.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.246 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.416 ' CE3' HG23 ' A' ' 34' ' ' ILE . 48.0 m0 -54.21 165.99 0.45 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.201 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.9 mttm -121.39 -163.64 1.06 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.646 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -49.29 -28.22 4.57 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.046 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.7 t -129.75 116.69 39.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 179.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.416 HG23 ' CE3' ' A' ' 30' ' ' TRP . 8.9 pt -56.82 155.11 15.84 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.264 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -50.79 159.55 2.28 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.555 2.17 . . . . 0.0 112.42 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -67.84 -35.04 77.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.1 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -83.19 -23.79 32.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.309 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -79.82 -42.16 24.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.815 0.34 . . . . 0.0 110.342 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.35 -27.0 68.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.73 179.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 89.7 t80 -66.54 -69.11 0.32 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.029 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.3 -28.62 59.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.161 -179.763 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.402 ' HA ' ' CG2' ' A' ' 45' ' ' VAL . 10.9 mt -59.06 -33.31 70.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.062 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 55.7 tt0 -68.65 -20.95 64.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.329 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.8 mt -88.36 -50.24 13.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.869 0.366 . . . . 0.0 111.376 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.402 ' CG2' ' HA ' ' A' ' 42' ' ' LEU . 2.5 m -58.69 -37.35 65.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.301 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.423 HG23 ' CD2' ' A' ' 9' ' ' HIS . 70.5 p -80.03 5.57 13.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.798 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 67.53 33.99 4.85 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-O 120.803 0.335 . . . . 0.0 110.997 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 76.06 25.88 65.58 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.608 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.84 -62.38 1.91 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.928 0.394 . . . . 0.0 111.016 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.7 mt -95.62 123.84 39.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.742 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.99 119.35 22.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.921 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.473 ' CE1' ' CD2' ' A' ' 57' ' ' TYR . 3.6 t80 -68.31 133.89 49.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.104 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.44 142.29 48.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.491 179.773 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -86.06 45.12 1.19 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.345 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -90.34 -62.0 1.56 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.847 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -85.07 -7.47 59.09 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.703 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.473 ' CD2' ' CE1' ' A' ' 52' ' ' TYR . 17.6 m-85 -106.49 30.71 5.78 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.526 -0.307 . . . . 0.0 110.898 -179.709 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.65 99.52 5.39 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.932 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -135.05 81.62 1.91 Allowed 'General case' 0 N--CA 1.449 -0.479 0 CA-C-O 120.924 0.393 . . . . 0.0 110.911 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -155.06 63.86 0.64 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.073 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.141 0 CA-C-O 118.319 -0.848 . . . . 0.0 111.165 179.879 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.1 ttm . . . . . 0 N--CA 1.484 1.258 0 CA-C-O 120.968 0.414 . . . . 0.0 111.27 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 74.4 m-85 -91.0 145.9 24.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.851 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 5.1 ttpm? -54.53 -29.79 51.8 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.938 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 69.0 tttt -61.48 -40.48 94.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.749 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -65.91 -53.84 34.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.935 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.3 t -54.06 -51.04 50.18 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.429 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.085 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.427 HG21 HD12 ' A' ' 7' ' ' ILE . 45.3 mt -60.91 -26.43 38.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.977 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.84 -27.67 55.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.365 179.714 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.436 ' CE1' ' HB ' ' A' ' 46' ' ' THR . 18.3 t60 -85.8 -33.45 21.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.588 179.768 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.422 ' CE2' HG12 ' A' ' 16' ' ' VAL . 40.4 m-85 -90.45 -38.24 13.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.182 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.28 -36.44 3.81 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.196 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.9 p -145.26 143.84 30.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.734 0.302 . . . . 0.0 110.571 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -52.82 -49.17 66.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.185 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -48.41 -38.96 20.97 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.432 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.92 -48.09 83.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.041 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.422 HG12 ' CE2' ' A' ' 10' ' ' PHE . 0.4 OUTLIER -59.07 -49.12 84.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.058 -179.885 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.16 -38.77 77.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.192 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.96 -29.51 66.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.029 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -80.89 -44.77 17.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.187 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 64.9 mt -79.92 -30.73 40.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.929 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 105.76 -7.64 42.21 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.869 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 37.8 pt -80.0 177.71 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-O 120.861 0.363 . . . . 0.0 111.115 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.9 m -85.57 159.07 19.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -59.69 -30.46 68.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.929 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.6 -38.69 87.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.107 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.69 -43.55 94.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.097 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 62.4 t -69.18 -34.54 63.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.081 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.6 p -72.9 -31.69 64.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -74.45 -16.23 60.87 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.294 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 17.1 m0 -52.45 125.97 17.91 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.785 0.326 . . . . 0.0 111.178 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.5 mmmt -80.23 -163.78 0.6 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.624 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -51.16 -33.68 28.01 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.846 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 19.4 t -126.15 130.19 72.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.986 0.422 . . . . 0.0 110.992 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.418 ' CD1' ' CD1' ' A' ' 42' ' ' LEU . 35.1 pt -66.63 162.27 52.4 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.215 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_exo -56.84 161.68 9.97 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.407 2.071 . . . . 0.0 111.945 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -68.36 -32.74 73.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.44 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -88.95 -17.41 29.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.683 -179.57 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -79.76 -41.72 26.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.88 0.371 . . . . 0.0 110.367 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.425 ' HB1' ' CE1' ' A' ' 52' ' ' TYR . . . -59.84 -27.27 66.5 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.154 179.574 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -74.58 -46.16 40.54 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.155 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.4 mtp180 -62.57 -31.9 72.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.384 -179.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.418 ' CD1' ' CD1' ' A' ' 34' ' ' ILE . 86.2 mt -58.75 -40.84 85.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.217 -179.685 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -61.43 -18.16 57.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.471 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.8 mt -92.58 -50.13 12.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.833 0.349 . . . . 0.0 111.41 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.4 m -64.25 -38.95 83.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.256 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.436 ' HB ' ' CE1' ' A' ' 9' ' ' HIS . 43.9 p -80.04 4.79 16.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.739 -179.735 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 65.29 31.19 10.78 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.981 0.42 . . . . 0.0 111.023 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.34 24.92 53.06 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.632 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.9 -55.75 13.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.872 0.367 . . . . 0.0 111.023 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.8 mp -91.07 132.17 36.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.812 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.5 mppt? -84.68 97.06 9.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.005 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.425 ' CE1' ' HB1' ' A' ' 39' ' ' ALA . 21.5 t80 -60.82 133.68 56.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.625 179.669 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -136.52 111.12 8.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.053 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.36 -15.24 56.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.161 179.771 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 32.4 m-20 -50.61 -45.47 57.54 Favored 'General case' 0 C--O 1.223 -0.299 0 CA-C-O 120.706 0.289 . . . . 0.0 111.118 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -90.24 13.56 14.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.984 179.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 -133.18 25.32 4.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.896 0.379 . . . . 0.0 110.876 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.17 -43.09 2.34 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.722 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -150.32 35.15 0.64 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.67 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -118.11 126.88 53.12 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.24 179.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.003 0 CA-C-O 118.24 -0.886 . . . . 0.0 111.156 -179.95 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.488 1.45 0 CA-C-O 120.863 0.364 . . . . 0.0 111.227 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.406 ' CD2' ' O ' ' A' ' 32' ' ' GLU . 10.5 m-85 -84.42 141.11 31.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.938 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.95 -29.14 59.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.161 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.53 -26.81 63.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.196 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -83.8 -46.58 12.05 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.994 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.401 ' CG1' HD23 ' A' ' 42' ' ' LEU . 3.5 t -53.35 -55.41 12.99 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.409 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.403 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.403 HD12 HG21 ' A' ' 7' ' ' ILE . 42.4 mt -56.16 -27.38 23.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.1 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.28 -28.39 47.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.017 0.437 . . . . 0.0 110.487 179.714 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.41 ' NE2' ' CG2' ' A' ' 46' ' ' THR . 8.2 t60 -85.57 -30.03 23.66 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.662 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.424 ' CE2' HG13 ' A' ' 16' ' ' VAL . 55.2 m-85 -96.12 -28.49 14.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.103 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 88.59 -52.23 3.97 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.041 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.9 p -133.32 141.25 47.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.731 0.3 . . . . 0.0 110.534 179.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.47 -47.08 57.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.092 -179.773 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.2 ttp85 -47.13 -32.96 4.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.315 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.53 -50.96 63.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.057 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.424 HG13 ' CE2' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -59.84 -41.85 87.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.81 -33.15 68.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.105 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.3 ttmm -78.76 -30.28 45.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.924 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.44 -48.17 29.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.101 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.5 mt -80.08 -33.11 39.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 98.33 27.94 8.37 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.508 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 39.4 pt -113.78 179.89 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.87 0.367 . . . . 0.0 111.047 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 39.8 m -80.46 149.9 29.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 19.0 p-10 -60.23 -31.79 70.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.881 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.34 -42.32 98.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.098 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.66 -35.56 74.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.038 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.417 HG13 ' CZ3' ' A' ' 30' ' ' TRP . 39.7 t -66.52 -50.76 64.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.062 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.86 -30.9 71.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -67.43 -19.28 65.35 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.307 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.417 ' CZ3' HG13 ' A' ' 27' ' ' VAL . 33.7 m0 -52.04 148.82 5.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.741 0.305 . . . . 0.0 111.182 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.4 mttt -96.04 -163.9 1.1 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.3 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.406 ' O ' ' CD2' ' A' ' 2' ' ' TYR . 8.4 mt-10 -51.04 -29.14 11.9 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.935 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 19.7 t -126.9 136.66 60.17 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.408 0 CA-C-N 116.587 -0.279 . . . . 0.0 110.939 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 8.3 pt -70.49 152.51 95.4 Favored Pre-proline 0 C--N 1.331 -0.202 0 CA-C-O 120.846 0.355 . . . . 0.0 111.225 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_exo -51.78 -175.96 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.684 2.256 . . . . 0.0 112.461 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.52 -49.41 7.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.207 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 43.8 mttp -71.35 -20.62 62.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.479 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -79.64 -46.41 17.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.88 0.372 . . . . 0.0 110.306 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.417 ' HB1' ' CD1' ' A' ' 52' ' ' TYR . . . -61.49 -25.72 67.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.898 179.543 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 80.2 t80 -70.54 -59.46 2.83 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.059 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.78 -29.53 70.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.224 -179.737 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.405 ' CD1' ' HA ' ' A' ' 39' ' ' ALA . 17.7 mt -55.14 -37.77 67.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.324 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -66.56 -23.38 66.2 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.31 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.8 mt -85.83 -49.04 15.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.787 0.327 . . . . 0.0 111.504 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.8 m -61.09 -37.54 77.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.403 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.41 ' CG2' ' NE2' ' A' ' 9' ' ' HIS . 55.0 p -79.98 7.66 8.54 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.876 -179.651 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 65.73 30.41 10.24 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.847 0.356 . . . . 0.0 111.018 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 79.39 8.98 87.4 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.891 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.74 -38.75 92.29 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.816 0.341 . . . . 0.0 110.837 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.3 mt -106.78 121.9 45.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.736 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.0 135.05 36.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.916 -179.665 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.417 ' CD1' ' HB1' ' A' ' 39' ' ' ALA . 7.8 t80 -92.76 128.14 38.51 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.675 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 68.1 mm-40 -118.91 108.11 14.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.776 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -79.15 3.66 16.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.554 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 67.0 m-20 -53.28 -70.44 0.09 Allowed 'General case' 0 C--O 1.225 -0.189 0 CA-C-O 120.647 0.26 . . . . 0.0 110.847 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.0 -16.92 62.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.178 179.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -94.21 19.79 8.9 Favored 'General case' 0 CA--C 1.528 0.112 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.3 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -86.12 -31.01 22.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.845 0.355 . . . . 0.0 110.855 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -149.49 117.11 6.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.619 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -92.7 -66.86 0.89 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.355 -0.831 . . . . 0.0 110.967 -179.922 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.922 0.392 . . . . 0.0 111.166 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.405 ' CE2' ' HG2' ' A' ' 32' ' ' GLU . 3.0 m-85 -82.71 159.34 22.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.882 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.79 -33.98 77.11 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.939 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -51.56 -45.49 63.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.225 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -60.81 -52.72 63.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.741 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.9 t -56.65 -49.52 77.65 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.961 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 35.3 mm -59.45 -30.85 45.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.061 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.26 -25.05 51.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.553 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 20.9 t60 -84.35 -31.6 24.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.57 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.436 ' CE2' HG13 ' A' ' 16' ' ' VAL . 46.0 m-85 -94.2 -41.03 9.7 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.076 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 96.15 -33.2 5.76 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.332 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.7 p -146.57 147.77 31.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.841 0.353 . . . . 0.0 110.673 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -56.9 -50.89 71.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.007 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.7 mtm105 -44.35 -42.55 6.9 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.426 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.33 -50.91 72.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.901 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.436 HG13 ' CE2' ' A' ' 10' ' ' PHE . 1.1 t -57.7 -46.91 86.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.209 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.09 -40.19 76.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.158 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.19 -28.43 63.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.08 -53.12 9.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.131 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.7 mt -79.87 -34.47 39.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.849 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 89.54 48.33 3.74 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.418 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.435 HD13 HG22 ' A' ' 22' ' ' ILE . 1.2 pt -111.73 -96.41 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.506 0.193 . . . . 0.0 111.042 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.6 m -175.87 154.75 1.55 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.799 0.333 . . . . 0.0 110.804 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.01 -19.56 44.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.093 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.34 -45.68 15.8 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.777 0.322 . . . . 0.0 111.146 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.4 ' O ' ' CD1' ' A' ' 30' ' ' TRP . . . -57.94 -44.55 87.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.124 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 46.4 t -65.07 -43.8 95.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.035 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.53 -29.44 67.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.955 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -80.81 -11.19 59.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.467 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.4 ' CD1' ' O ' ' A' ' 26' ' ' ALA . 24.2 m0 -53.97 127.78 27.71 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.882 0.372 . . . . 0.0 111.093 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.5 mttm -83.29 -166.68 1.43 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.027 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.405 ' HG2' ' CE2' ' A' ' 2' ' ' TYR . 0.2 OUTLIER -49.31 -28.04 4.48 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.696 0.284 . . . . 0.0 111.056 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 13.3 t -127.89 133.32 67.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.069 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.409 ' CD1' ' CD1' ' A' ' 42' ' ' LEU . 29.8 pt -68.72 151.71 97.1 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.35 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -52.57 163.61 1.76 Allowed 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.505 2.137 . . . . 0.0 112.281 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -68.4 -44.73 74.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.171 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.1 mtpp -76.65 -19.29 57.93 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.433 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -79.72 -45.24 19.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.909 0.385 . . . . 0.0 110.384 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.46 -25.94 67.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.055 179.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 44.5 t80 -69.83 -55.18 10.5 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.912 0.387 . . . . 0.0 111.127 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.402 ' HB3' ' NH1' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -57.76 -28.21 63.75 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.342 -179.748 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.409 ' CD1' ' CD1' ' A' ' 34' ' ' ILE . 23.7 mt -50.43 -48.31 56.34 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.915 0.388 . . . . 0.0 111.3 -179.741 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -59.22 -20.03 50.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.375 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.7 mt -91.19 -48.44 13.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.796 0.332 . . . . 0.0 111.499 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 5.1 m -67.32 -40.56 85.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.391 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 38.6 p -79.77 2.2 23.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.667 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 66.33 30.94 8.69 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.87 0.367 . . . . 0.0 110.996 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 83.22 26.38 44.28 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.699 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.06 -38.57 19.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.882 0.372 . . . . 0.0 110.974 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 36.8 mt -99.03 124.07 43.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.851 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.2 tptt -79.91 121.53 25.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.954 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 13.6 t80 -93.48 127.4 39.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.693 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -130.75 117.05 18.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.801 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -71.95 -5.52 35.38 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.664 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 34.0 m-20 -47.37 -67.93 0.23 Allowed 'General case' 0 C--O 1.227 -0.115 0 CA-C-O 120.659 0.266 . . . . 0.0 111.183 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.11 -14.9 63.35 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.866 179.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -99.65 24.87 7.73 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.855 0.36 . . . . 0.0 111.189 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.7 mtt85 -106.62 150.45 26.18 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.93 0.395 . . . . 0.0 110.702 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -84.84 117.99 24.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.03 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -160.03 98.41 1.32 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.086 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.311 -0.852 . . . . 0.0 111.078 -179.945 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.1 ttm . . . . . 0 N--CA 1.485 1.322 0 CA-C-O 120.817 0.342 . . . . 0.0 111.278 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -89.88 149.96 22.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.022 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.8 ttpm? -64.37 -36.25 83.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.3 tppt? -57.8 -42.06 83.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.996 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -63.45 -50.52 69.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.084 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.9 t -56.07 -47.72 79.99 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.422 0 CA-C-O 120.92 0.39 . . . . 0.0 111.264 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.419 HG23 HD12 ' A' ' 7' ' ' ILE . 80.5 mt -63.64 -35.15 71.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.164 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.34 -24.47 50.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.581 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.424 ' CD2' HG23 ' A' ' 46' ' ' THR . 18.7 t60 -83.44 -25.21 31.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.732 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.444 ' CE2' ' HA ' ' A' ' 16' ' ' VAL . 3.8 m-85 -95.74 -48.64 5.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.957 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 123.45 -28.14 5.59 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.397 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.2 p -150.71 -179.08 6.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.816 0.341 . . . . 0.0 110.784 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -86.32 -53.04 5.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.823 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.75 -28.99 52.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.967 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.63 -45.36 90.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.968 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.444 ' HA ' ' CE2' ' A' ' 10' ' ' PHE . 1.0 OUTLIER -59.51 -29.36 42.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.247 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.54 -24.53 58.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.547 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.3 20.75 4.22 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.573 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -120.7 -42.7 2.51 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.857 0.361 . . . . 0.0 111.031 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.0 mt -93.67 -29.89 15.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 109.04 35.1 2.41 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.5 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 27.3 pt -123.03 -177.97 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.828 0.347 . . . . 0.0 111.114 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.4 m -99.49 176.93 5.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.939 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -69.39 -29.15 66.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.964 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.37 -48.2 76.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.13 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.93 -31.2 68.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.224 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 45.9 t -74.86 -44.49 45.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.097 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.07 -29.8 68.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -73.61 -19.59 60.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.451 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 34.8 m0 -52.72 136.53 33.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.951 0.405 . . . . 0.0 111.194 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.8 mttm -86.97 -167.06 1.75 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.599 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -49.09 -29.23 4.93 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.746 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 33.5 t -130.82 116.15 33.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.738 179.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 12.5 pt -52.32 160.11 1.37 Allowed Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.361 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -49.38 176.44 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.679 2.253 . . . . 0.0 112.571 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -83.23 -31.65 26.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.007 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.36 -21.86 22.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.369 -179.834 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -79.9 -41.43 26.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.892 0.377 . . . . 0.0 110.792 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.415 ' HB1' ' CE2' ' A' ' 52' ' ' TYR . . . -69.08 -25.72 64.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.971 179.672 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 92.0 t80 -68.72 -59.96 2.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.961 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 28.7 mtt180 -56.36 -28.87 60.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.05 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 11.9 mt -58.3 -46.27 86.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.005 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -53.34 -28.98 31.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.171 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.0 mt -88.2 -44.18 15.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.916 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -62.89 -38.93 83.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.108 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.424 HG23 ' CD2' ' A' ' 9' ' ' HIS . 36.4 p -79.63 2.18 23.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.765 -179.652 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 68.71 39.62 1.96 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.954 0.407 . . . . 0.0 111.271 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 71.94 25.4 74.88 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.653 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.45 -50.83 16.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.887 0.375 . . . . 0.0 111.03 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.8 mt -90.9 148.12 22.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.819 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.52 123.65 47.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.938 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.498 ' CE1' ' CD2' ' A' ' 57' ' ' TYR . 14.7 t80 -80.28 130.52 35.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.028 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -126.75 106.31 9.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -59.54 -20.93 59.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.195 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 33.0 m120 -52.23 -28.1 17.32 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.163 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -97.44 -25.75 15.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.191 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.498 ' CD2' ' CE1' ' A' ' 52' ' ' TYR . 24.3 m-85 -98.41 29.51 3.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.975 -179.697 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.3 ptt180 -114.91 -34.22 5.18 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.869 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 9.5 mm-40 -83.59 -50.11 8.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.791 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -135.2 118.45 16.62 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.891 0.377 . . . . 0.0 111.54 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.976 0 CA-C-O 118.247 -0.882 . . . . 0.0 111.106 -179.908 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.6 mtm . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.774 0.321 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -92.79 147.12 23.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.869 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 19.6 tttm -56.98 -30.61 64.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -71.04 -41.88 70.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.956 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -61.74 -52.38 64.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.131 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.2 t -55.06 -47.52 76.97 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.341 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 98.3 mt -64.35 -32.66 58.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.107 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.55 -27.74 51.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.491 179.776 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.401 ' O ' ' CD2' ' A' ' 9' ' ' HIS . 7.6 t60 -84.73 -26.49 27.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.812 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.417 ' CE2' HG13 ' A' ' 16' ' ' VAL . 3.5 m-85 -92.47 -49.87 5.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.965 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 118.01 -27.75 7.29 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.425 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -159.69 159.22 32.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.748 0.308 . . . . 0.0 110.823 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -66.92 -42.18 85.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.921 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.2 ttm180 -58.54 -29.52 66.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.997 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.71 -37.92 82.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.143 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.417 HG13 ' CE2' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -75.62 -34.1 28.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.872 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.85 -28.78 70.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.139 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.7 -30.78 21.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.009 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.96 -53.46 31.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.167 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.4 mt -79.98 -32.46 39.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.935 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 105.5 27.13 5.9 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.49 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 32.7 pt -114.22 -179.2 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.771 0.32 . . . . 0.0 111.119 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 72.5 m -92.25 163.46 13.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -59.35 -30.9 68.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.26 -47.35 84.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.072 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.68 -36.9 74.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.104 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.415 HG12 ' CZ3' ' A' ' 30' ' ' TRP . 48.3 t -70.06 -43.44 79.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.99 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.2 p -70.91 -31.39 67.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.872 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.42 -17.45 63.01 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.528 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.415 ' CZ3' HG12 ' A' ' 27' ' ' VAL . 24.4 m0 -52.35 150.28 4.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.083 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 27.7 mtpt -110.25 -163.52 0.86 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.648 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -49.5 -27.7 4.6 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.014 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.8 t -134.65 115.26 19.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.966 179.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 31.3 pt -56.18 160.68 4.56 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.077 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.411 ' HD3' ' CD1' ' A' ' 30' ' ' TRP . 76.5 Cg_exo -48.54 168.74 0.1 OUTLIER 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.425 2.083 . . . . 0.0 112.599 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -72.86 -44.89 60.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.274 -179.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.16 -13.87 58.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.648 -179.62 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -79.92 -48.87 12.73 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.774 0.321 . . . . 0.0 110.844 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.97 -28.07 69.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.939 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 91.3 t80 -62.84 -56.09 20.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.936 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 37.2 mtt85 -62.27 -31.05 71.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.02 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.5 mt -57.23 -48.27 79.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.131 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -52.54 -29.42 25.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.384 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.8 mt -86.65 -44.88 16.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.913 0.387 . . . . 0.0 111.118 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -62.73 -38.8 82.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.222 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 25.4 p -79.61 3.23 19.63 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.825 -179.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 69.76 29.38 4.13 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.8 0.334 . . . . 0.0 111.312 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.6 22.18 54.3 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.893 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.05 -63.54 1.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.856 0.36 . . . . 0.0 110.988 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.6 mt -96.31 122.49 39.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.756 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.96 145.3 32.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.944 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -73.85 153.08 40.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.012 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.411 ' O ' ' CD2' ' A' ' 57' ' ' TYR . 63.4 mt-30 -142.76 92.88 2.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -57.34 -19.8 24.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.478 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 63.7 m-80 -46.48 -75.0 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.548 -0.297 . . . . 0.0 111.556 -179.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -55.63 -28.99 58.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.882 0.372 . . . . 0.0 111.596 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.411 ' CD2' ' O ' ' A' ' 53' ' ' GLN . 24.5 m-85 -80.22 -12.76 59.6 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.617 -179.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -79.54 88.87 5.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.05 0.453 . . . . 0.0 111.101 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -126.45 118.83 25.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.007 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.51 176.49 7.52 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.045 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.847 0 CA-C-O 118.128 -0.939 . . . . 0.0 111.045 -179.815 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 ptt? . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.851 0.358 . . . . 0.0 111.144 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -88.15 159.22 18.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.97 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 5.2 tttm -69.51 -30.48 68.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.919 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.2 tttm -62.57 -41.03 98.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.992 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -61.43 -47.7 84.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.049 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.7 t -57.23 -43.35 81.7 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.425 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.307 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 60.6 mt -70.96 -35.18 58.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.131 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.37 -23.3 54.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.577 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.436 ' CE1' ' HB ' ' A' ' 46' ' ' THR . 6.2 t60 -84.07 -28.38 27.62 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.775 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.442 ' CE2' ' HA ' ' A' ' 16' ' ' VAL . 3.6 m-85 -93.21 -48.86 6.26 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.95 -179.686 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 108.58 -28.38 11.68 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.414 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.1 p -140.15 162.3 35.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.803 0.335 . . . . 0.0 110.949 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -77.75 -52.82 8.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.844 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -51.15 -30.57 16.99 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.054 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.07 -48.18 74.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.941 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.442 ' HA ' ' CE2' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -60.22 -33.87 55.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.854 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -77.87 -27.26 49.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.181 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.5 ttmt -80.95 -28.8 35.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.047 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.92 -51.69 30.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.191 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 14.9 mt -79.95 -34.05 39.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.052 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 109.72 24.57 5.77 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.601 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 28.6 pt -112.32 -177.1 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.734 0.302 . . . . 0.0 111.086 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 57.6 p -95.1 158.81 15.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.791 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -58.07 -29.96 65.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.972 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.74 -44.23 96.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.174 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.36 -44.8 92.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.093 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.425 HG12 ' CZ3' ' A' ' 30' ' ' TRP . 58.8 t -61.63 -41.34 89.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.123 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.3 p -67.42 -29.02 68.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.844 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -70.34 -21.06 62.94 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.268 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.425 ' CZ3' HG12 ' A' ' 27' ' ' VAL . 32.8 m0 -52.35 137.85 28.17 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.149 0.499 . . . . 0.0 111.279 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.5 pttt -93.32 -166.92 1.61 Allowed 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.997 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -49.18 -28.13 4.2 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-O 120.86 0.362 . . . . 0.0 111.21 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 14.5 t -128.42 119.93 51.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.792 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.407 ' CD1' ' CD1' ' A' ' 42' ' ' LEU . 5.5 pt -60.22 156.12 41.61 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.35 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -53.33 -179.9 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.633 2.222 . . . . 0.0 112.289 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -81.45 -52.35 7.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.841 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 42.5 mtpt -67.06 -20.11 65.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.229 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -79.55 -49.07 12.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.926 0.393 . . . . 0.0 110.075 179.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.72 -29.01 66.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.886 179.429 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 45.4 t80 -78.4 -53.14 7.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.953 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.409 ' HA ' HD12 ' A' ' 44' ' ' ILE . 56.7 mtt-85 -66.06 -21.79 66.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.259 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.435 ' HA ' ' CG2' ' A' ' 45' ' ' VAL . 14.1 mt -67.28 -30.49 70.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.283 -179.6 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -62.62 -51.17 68.35 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.873 0.368 . . . . 0.0 110.631 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.409 HD12 ' HA ' ' A' ' 41' ' ' ARG . 3.6 mp -60.4 -46.87 94.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.008 -0.542 . . . . 0.0 112.244 -179.625 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.435 ' CG2' ' HA ' ' A' ' 42' ' ' LEU . 14.6 m -59.11 -42.49 86.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.814 0.34 . . . . 0.0 111.534 -179.349 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.436 ' HB ' ' CE1' ' A' ' 9' ' ' HIS . 40.1 p -83.43 39.06 0.64 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.845 -179.379 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 49.26 27.22 1.79 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.705 0.288 . . . . 0.0 111.668 179.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 76.8 3.26 79.42 Favored Glycine 0 CA--C 1.519 0.322 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.95 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.35 -48.65 80.35 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.889 0.376 . . . . 0.0 111.133 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 29.1 mt -79.94 113.48 18.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.687 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.93 125.02 29.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.018 -179.793 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.414 ' CZ ' ' HG2' ' A' ' 54' ' ' GLU . 10.9 t80 -81.82 127.89 33.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.72 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -121.49 127.46 51.07 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.585 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.414 ' HG2' ' CZ ' ' A' ' 52' ' ' TYR . 33.2 mt-10 -88.29 24.04 2.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.611 -179.67 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.8 p-10 -60.68 -52.83 63.47 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 120.928 0.394 . . . . 0.0 110.225 179.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -96.26 14.72 23.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.455 179.013 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -132.21 27.42 4.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.719 -179.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -98.61 177.12 5.41 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 121.002 0.429 . . . . 0.0 110.737 -179.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -115.62 10.72 15.63 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.416 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . 63.04 -81.14 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.139 0 CA-C-O 121.111 0.482 . . . . 0.0 110.935 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.236 0 CA-C-O 118.092 -0.956 . . . . 0.0 111.116 -179.713 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.314 0 CA-C-O 120.818 0.342 . . . . 0.0 111.236 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -96.31 146.58 24.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 9.4 tttt -57.99 -29.45 65.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.048 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.4 ttpm? -61.92 -47.24 85.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.023 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -60.68 -51.38 69.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.91 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.2 t -53.46 -51.67 39.58 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.354 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.438 HG21 HD11 ' A' ' 7' ' ' ILE . 54.1 mt -59.24 -26.96 35.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.184 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.77 -28.38 55.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.912 0.387 . . . . 0.0 110.362 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.426 ' CE1' ' HB ' ' A' ' 46' ' ' THR . 24.1 t60 -86.05 -31.46 21.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.678 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.423 ' CD2' HG11 ' A' ' 16' ' ' VAL . 42.7 m-85 -92.69 -29.45 16.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.094 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 90.56 -49.35 3.15 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.262 -179.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -132.86 140.06 47.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.842 0.353 . . . . 0.0 110.63 179.742 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -49.01 -51.89 28.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.268 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.42 -36.55 10.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.342 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.02 -51.02 71.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.923 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.423 HG11 ' CD2' ' A' ' 10' ' ' PHE . 0.6 OUTLIER -54.58 -31.68 23.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.156 179.868 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.94 -26.08 68.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.359 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.0 mttm -76.12 -52.25 10.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.935 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.28 -39.01 81.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.05 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.99 -30.8 19.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.012 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 86.86 28.47 26.09 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.557 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 24.9 pt -111.55 -179.17 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.839 0.352 . . . . 0.0 111.066 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 28.9 t -87.06 160.56 18.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -61.52 -31.61 71.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.33 -44.12 84.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.188 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.68 -30.24 65.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.216 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.424 HG13 ' CE3' ' A' ' 30' ' ' TRP . 27.4 t -75.48 -56.71 7.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.193 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.98 -26.62 62.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.025 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -75.19 -17.03 60.45 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-O 121.031 0.443 . . . . 0.0 111.684 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.424 ' CE3' HG13 ' A' ' 27' ' ' VAL . 32.4 m0 -53.56 129.68 33.44 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.911 0.386 . . . . 0.0 111.065 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.8 pttt -80.12 -168.34 1.62 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.628 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -47.94 -30.73 4.48 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.093 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.6 t -128.34 116.84 43.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.043 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 10.7 pt -51.97 161.1 1.0 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.36 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.402 ' HD3' ' CD1' ' A' ' 30' ' ' TRP . 52.1 Cg_exo -53.14 164.1 1.93 Allowed 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.623 2.215 . . . . 0.0 112.538 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.454 ' HG2' ' OH ' ' A' ' 52' ' ' TYR . 1.1 tm-20 -72.68 -35.84 67.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.096 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.2 mmtp -87.75 -19.33 27.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.53 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -79.86 -43.93 21.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.825 0.345 . . . . 0.0 110.668 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.415 ' HB2' ' CE2' ' A' ' 52' ' ' TYR . . . -64.97 -26.65 68.39 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.937 179.706 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -72.0 -37.19 69.86 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.973 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 27.3 mtp180 -78.0 -29.0 49.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.031 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.414 ' HA ' ' CG2' ' A' ' 45' ' ' VAL . 53.8 mt -66.2 -32.6 74.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.173 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -66.96 -22.63 65.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.314 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.8 mt -88.56 -51.98 11.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.825 0.345 . . . . 0.0 111.319 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.414 ' CG2' ' HA ' ' A' ' 42' ' ' LEU . 6.4 m -59.91 -39.5 80.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.458 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.426 ' HB ' ' CE1' ' A' ' 9' ' ' HIS . 30.7 p -79.75 12.78 2.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.011 -0.54 . . . . 0.0 112.121 -179.375 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 61.32 30.71 19.22 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.819 0.342 . . . . 0.0 111.122 179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 72.76 22.28 79.15 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.696 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.34 -32.41 70.06 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.89 0.376 . . . . 0.0 110.819 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.5 mt -116.95 126.42 52.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.588 179.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 7.8 tttt -79.92 113.11 17.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.038 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.502 ' CZ ' ' CD2' ' A' ' 57' ' ' TYR . 14.4 t80 -61.15 118.57 6.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -106.25 112.53 25.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.973 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -62.04 -17.89 58.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.353 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 18.6 m-20 -48.92 -38.32 22.48 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 120.815 0.341 . . . . 0.0 111.131 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -98.23 17.64 18.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.3 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.502 ' CD2' ' CZ ' ' A' ' 52' ' ' TYR . 28.3 m-85 -146.45 29.59 1.04 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.05 0.453 . . . . 0.0 110.913 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.42 157.2 23.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.935 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.52 -178.12 4.85 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.339 0.59 . . . . 0.0 110.684 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.27 -62.59 1.33 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.214 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.324 -0.846 . . . . 0.0 111.033 179.973 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mtm . . . . . 0 N--CA 1.485 1.3 0 CA-C-O 120.851 0.358 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -93.46 143.7 26.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 18.5 tttt -58.22 -44.22 88.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.955 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.96 -35.74 35.11 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.222 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 -75.18 -53.37 8.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.817 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.6 t -53.74 -49.61 56.42 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.171 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 40.0 mm -59.12 -33.08 49.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.083 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.2 -24.98 54.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.664 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.406 ' CD2' HG21 ' A' ' 46' ' ' THR . 11.2 t60 -82.65 -31.53 28.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.331 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.425 ' CD2' HG12 ' A' ' 16' ' ' VAL . 37.9 m-85 -94.36 -30.29 14.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.254 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 92.03 -48.72 2.73 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.715 -0.755 . . . . 0.0 111.998 -179.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.4 p -124.09 -179.36 4.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.821 0.343 . . . . 0.0 110.44 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.9 mm100 -86.9 -55.66 3.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.929 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -48.63 -29.78 4.71 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.217 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.76 -52.01 62.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.995 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.425 HG12 ' CD2' ' A' ' 10' ' ' PHE . 1.3 t -54.81 -45.59 74.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.089 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.66 -30.95 71.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.077 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.18 -30.36 69.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.943 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -89.72 -38.63 13.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.154 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.01 -27.91 39.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.989 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 99.35 -11.33 61.65 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.742 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 41.5 pt -79.87 -179.23 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.796 0.331 . . . . 0.0 111.249 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.6 m -95.53 164.36 12.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.978 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -60.19 -31.1 69.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.963 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.39 -47.66 84.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.128 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.79 -39.48 85.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.06 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.413 HG11 ' CZ3' ' A' ' 30' ' ' TRP . 45.1 t -70.13 -44.54 78.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.162 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 35.4 t -67.85 -30.64 70.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.946 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -75.18 -12.14 60.23 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.551 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.439 ' CE3' ' CG2' ' A' ' 34' ' ' ILE . 29.5 m0 -55.17 170.98 0.17 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.87 0.367 . . . . 0.0 110.983 -179.828 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.7 mmmp? -134.22 -163.8 1.42 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.384 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -47.99 -28.91 3.02 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.091 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 26.6 t -134.96 112.46 14.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.106 179.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.439 ' CG2' ' CE3' ' A' ' 30' ' ' TRP . 8.6 pt -56.3 152.81 21.72 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.108 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.465 ' HG2' ' HB2' ' A' ' 38' ' ' ASP . 3.4 Cg_endo -49.27 179.56 0.02 OUTLIER 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.527 2.151 . . . . 0.0 112.049 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -76.57 -65.74 0.9 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.26 -0.427 . . . . 0.0 112.03 -179.154 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.7 pttm -54.31 -24.38 18.93 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 -178.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.465 ' HB2' ' HG2' ' A' ' 35' ' ' PRO . 55.8 m-20 -79.67 -49.66 11.79 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.934 0.397 . . . . 0.0 110.197 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.75 -26.32 65.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.813 179.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 91.6 t80 -73.72 -57.07 4.24 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.864 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.6 mtp85 -64.01 -29.69 70.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.079 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.414 ' CD1' ' CD1' ' A' ' 34' ' ' ILE . 6.1 mt -57.95 -38.1 75.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.087 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -63.33 -17.29 62.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.318 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.8 mt -91.1 -49.86 13.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.774 0.321 . . . . 0.0 111.481 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.4 m -61.03 -37.62 77.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.287 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.406 HG21 ' CD2' ' A' ' 9' ' ' HIS . 77.2 p -79.93 4.42 16.86 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.699 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 67.3 32.02 6.19 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 120.844 0.354 . . . . 0.0 110.854 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 78.63 24.93 61.64 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.511 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.1 -54.71 42.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.86 0.362 . . . . 0.0 110.998 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.6 mt -90.65 163.11 14.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.792 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.8 ttmt -116.78 110.88 18.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.954 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.531 ' CZ ' ' CD2' ' A' ' 57' ' ' TYR . 20.9 t80 -61.17 137.05 58.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.963 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -128.38 109.78 11.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.04 -33.17 50.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.238 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.26 -22.87 32.64 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.863 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.409 ' O ' ' CD1' ' A' ' 57' ' ' TYR . . . -102.29 16.4 26.3 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.68 0.276 . . . . 0.0 111.518 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.531 ' CD2' ' CZ ' ' A' ' 52' ' ' TYR . 29.4 m-85 -153.07 28.74 0.51 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.945 0.402 . . . . 0.0 110.863 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.1 tpt180 -126.3 92.65 3.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.122 179.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -157.55 160.51 38.25 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.871 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -104.07 174.44 5.87 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.066 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.298 -0.858 . . . . 0.0 110.934 -179.9 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.319 0 CA-C-O 120.797 0.332 . . . . 0.0 111.246 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -88.93 145.5 25.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.834 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.33 -32.63 68.7 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.022 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.9 tptm -64.6 -30.47 71.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.926 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -73.35 -47.81 39.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.94 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.9 t -56.79 -46.55 83.38 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.424 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.084 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 81.9 mt -63.7 -37.35 79.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.118 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.64 -23.66 56.33 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.373 179.583 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.406 ' O ' ' CD2' ' A' ' 9' ' ' HIS . 5.6 t60 -82.75 -27.48 31.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.575 179.702 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.435 ' CE2' ' HA ' ' A' ' 16' ' ' VAL . 3.2 m-85 -96.04 -47.65 6.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.974 -179.732 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 115.34 -30.41 6.75 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.441 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 72.9 p -143.21 179.78 6.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.865 0.364 . . . . 0.0 110.816 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 -89.98 -53.03 4.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.006 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 38.2 ttt180 -51.66 -30.33 21.33 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.233 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.16 -47.82 78.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.946 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.435 ' HA ' ' CE2' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -61.45 -36.87 75.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.967 -179.935 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.43 -32.11 70.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.11 -29.1 54.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.966 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.94 -52.81 25.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.289 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.9 mt -79.89 -33.12 40.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.036 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 107.89 26.64 5.46 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.513 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 41.1 pt -113.54 -178.62 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.793 0.33 . . . . 0.0 111.083 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.3 m -93.97 164.13 13.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.856 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 19.6 p-10 -59.46 -31.68 69.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.49 -40.63 97.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.089 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.89 -37.37 84.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.019 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.423 HG13 ' CZ3' ' A' ' 30' ' ' TRP . 33.8 t -67.04 -51.88 49.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.135 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.8 t -66.23 -32.16 73.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.955 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -65.09 -22.71 66.99 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.305 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.423 ' CZ3' HG13 ' A' ' 27' ' ' VAL . 47.6 m0 -54.35 163.09 0.92 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.173 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.54 -163.5 0.86 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.951 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -49.86 -33.8 18.08 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.826 0.346 . . . . 0.0 110.989 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 24.5 t -123.06 122.32 65.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.786 0.327 . . . . 0.0 110.97 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 12.6 pt -54.98 151.49 16.0 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.278 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -50.62 156.88 3.92 Favored 'Trans proline' 0 C--N 1.343 0.266 0 C-N-CA 122.727 2.285 . . . . 0.0 112.37 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -65.86 -28.92 69.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.277 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 47.6 mttt -89.99 -24.87 21.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.592 -179.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -79.77 -37.2 35.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.847 0.355 . . . . 0.0 110.735 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.414 ' HB3' ' CE2' ' A' ' 52' ' ' TYR . . . -68.28 -25.53 65.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.517 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -70.41 -56.71 5.98 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.934 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.72 -28.95 67.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.112 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.402 ' HA ' ' CG2' ' A' ' 45' ' ' VAL . 12.8 mt -56.06 -39.86 72.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.081 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -58.85 -20.36 50.11 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.412 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.8 mt -88.93 -50.79 13.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.86 0.362 . . . . 0.0 111.439 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.402 ' CG2' ' HA ' ' A' ' 42' ' ' LEU . 2.7 m -63.3 -37.53 79.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.628 -179.605 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 76.8 p -81.53 11.58 4.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.984 -179.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 62.9 28.53 16.39 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.832 0.348 . . . . 0.0 111.27 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 77.32 20.75 74.48 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.811 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.15 -43.93 66.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.901 0.381 . . . . 0.0 110.904 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 58.5 mt -91.87 113.36 25.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.704 179.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.96 125.64 30.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.982 -179.784 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.427 ' CE1' ' CD2' ' A' ' 57' ' ' TYR . 9.6 t80 -78.13 136.02 37.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.803 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.6 mp0 -127.7 102.63 6.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.887 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -55.21 -25.9 35.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.11 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -57.43 -29.14 63.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.857 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -100.17 16.72 23.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.427 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.427 ' CD2' ' CE1' ' A' ' 52' ' ' TYR . 71.4 m-85 -142.07 23.11 2.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.811 -179.626 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.43 -170.49 1.68 Allowed 'General case' 0 N--CA 1.454 -0.226 0 CA-C-O 120.873 0.368 . . . . 0.0 110.645 -179.577 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -110.64 -32.53 6.85 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.82 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -100.71 -70.97 0.72 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.961 -179.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.261 0 CA-C-O 118.607 -0.711 . . . . 0.0 111.052 179.946 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.4 ttm . . . . . 0 N--CA 1.488 1.425 0 CA-C-O 120.893 0.378 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -82.47 154.47 25.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.919 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 10.1 tttt -71.16 -30.82 66.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.953 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.3 ttpm? -64.48 -36.87 85.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.13 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.42 -50.08 49.19 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.096 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.9 t -56.05 -49.47 75.45 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.346 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.411 HD13 HG23 ' A' ' 7' ' ' ILE . 52.1 mt -61.93 -29.13 45.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.13 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.41 -25.24 54.3 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.879 0.371 . . . . 0.0 110.557 179.796 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.419 ' CE1' ' HB ' ' A' ' 46' ' ' THR . 16.3 t60 -84.86 -33.78 22.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.521 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.431 ' CE2' HG13 ' A' ' 16' ' ' VAL . 28.5 m-85 -88.9 -41.83 12.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.192 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.68 -29.03 10.35 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.265 -179.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -146.93 136.47 22.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.73 0.3 . . . . 0.0 110.595 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -51.06 -49.78 59.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.239 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -45.95 -42.32 12.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.449 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.84 -49.38 77.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.082 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.431 HG13 ' CE2' ' A' ' 10' ' ' PHE . 0.8 OUTLIER -58.45 -49.32 82.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.109 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.13 -31.01 69.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.043 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.4 mmtt -74.82 -34.89 62.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.65 -41.74 65.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.108 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 53.9 mt -82.8 -31.07 28.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.035 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 106.71 -7.75 39.24 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.785 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 43.5 pt -79.99 -178.89 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.737 0.303 . . . . 0.0 111.094 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.4 m -85.43 153.83 22.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.842 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -60.34 -31.34 70.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.902 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.85 -40.0 91.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.952 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.13 -31.76 69.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.945 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.417 HG12 ' CZ3' ' A' ' 30' ' ' TRP . 48.5 t -69.1 -42.74 81.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.986 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.87 -28.99 64.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.881 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -74.4 -14.71 60.9 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.293 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.417 ' CZ3' HG12 ' A' ' 27' ' ' VAL . 16.7 m0 -52.7 169.27 0.09 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.771 0.319 . . . . 0.0 111.151 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.71 -164.27 1.35 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.826 -179.772 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -49.48 -28.31 5.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.647 0.26 . . . . 0.0 111.173 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 23.5 t -135.27 119.01 24.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.981 179.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.414 HG22 ' CD2' ' A' ' 30' ' ' TRP . 29.9 pt -61.89 158.78 40.86 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.251 -179.76 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -50.96 157.67 3.7 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.553 2.169 . . . . 0.0 112.613 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.401 ' HG2' ' HB3' ' A' ' 57' ' ' TYR . 0.5 OUTLIER -59.72 -49.7 76.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.373 -179.808 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.23 -15.66 60.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.684 -179.45 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -79.77 -48.23 13.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.908 0.385 . . . . 0.0 110.877 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.421 ' HB2' ' CE2' ' A' ' 52' ' ' TYR . . . -64.44 -24.27 67.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.031 179.754 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -66.48 -70.29 0.25 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.001 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.2 mtp85 -58.44 -28.31 65.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.15 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.403 ' HA ' HG22 ' A' ' 45' ' ' VAL . 7.6 mt -58.96 -34.76 72.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.119 -179.774 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -71.18 -29.53 65.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.993 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.9 mt -78.87 -45.53 24.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.246 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.403 HG22 ' HA ' ' A' ' 42' ' ' LEU . 12.4 m -57.48 -41.1 78.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.334 -179.821 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.419 ' HB ' ' CE1' ' A' ' 9' ' ' HIS . 60.7 p -83.16 32.6 0.44 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.996 -0.547 . . . . 0.0 112.09 -179.411 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 46.97 38.04 5.74 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.736 0.303 . . . . 0.0 111.566 179.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 66.56 23.07 71.95 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.539 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.42 -33.61 72.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.932 0.396 . . . . 0.0 110.942 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -106.27 -176.6 3.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.709 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.94 118.72 14.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.93 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.421 ' CE2' ' HB2' ' A' ' 39' ' ' ALA . 30.0 t80 -60.83 145.58 49.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.833 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.41 ' O ' ' CD2' ' A' ' 57' ' ' TYR . 51.2 mt-30 -131.66 88.86 2.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.008 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 22.1 pt-20 -58.79 -20.22 47.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.224 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -52.06 -48.9 64.39 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.399 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -86.2 5.73 32.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.631 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.41 ' CD2' ' O ' ' A' ' 53' ' ' GLN . 44.5 m-85 -115.89 -17.06 11.08 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.707 0.289 . . . . 0.0 111.361 -179.778 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.1 ptt180 -79.96 110.68 15.57 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.825 0.345 . . . . 0.0 110.82 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -145.02 130.93 19.17 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.694 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -136.18 86.4 2.22 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.871 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.895 0 CA-C-O 118.58 -0.724 . . . . 0.0 110.931 -179.955 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.5 mtm . . . . . 0 N--CA 1.487 1.407 0 CA-C-O 120.79 0.328 . . . . 0.0 111.095 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -88.89 146.47 24.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.945 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 47.2 tttt -57.93 -44.25 86.78 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.059 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.3 ttmm -51.5 -41.63 61.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.264 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -61.91 -52.78 62.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.01 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.8 t -56.97 -39.23 64.31 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.267 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 41.0 mm -71.55 -36.33 59.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.134 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.99 -24.88 55.36 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.404 179.806 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.401 ' O ' ' CD2' ' A' ' 9' ' ' HIS . 5.9 t60 -82.85 -27.39 30.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.7 179.743 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.432 ' CE2' ' HA ' ' A' ' 16' ' ' VAL . 2.8 m-85 -95.67 -42.73 8.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.028 -179.66 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 109.08 -30.11 8.99 Favored Glycine 0 N--CA 1.453 -0.205 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.464 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 18.9 p -142.19 171.58 13.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.762 0.315 . . . . 0.0 110.916 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -84.38 -51.74 6.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.834 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -53.27 -29.21 31.79 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.08 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.73 -46.53 81.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.046 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.432 ' HA ' ' CE2' ' A' ' 10' ' ' PHE . 0.4 OUTLIER -59.07 -31.96 46.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.958 -179.939 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.3 -26.86 61.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.197 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.6 ttmt -74.5 -38.12 62.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.033 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.28 -49.74 68.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.162 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.5 mt -79.97 -27.22 39.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.068 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 95.28 26.11 12.87 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.469 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.429 HG21 HD11 ' A' ' 22' ' ' ILE . 26.7 pt -110.87 -177.88 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.739 0.304 . . . . 0.0 111.015 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.2 m -94.34 163.69 13.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.782 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -59.27 -31.16 68.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.927 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.01 -46.29 88.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.099 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.404 ' O ' ' CD1' ' A' ' 30' ' ' TRP . . . -59.11 -35.98 74.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.157 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 44.8 t -72.76 -45.13 57.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.032 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 40.5 t -68.01 -29.6 68.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.986 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -76.02 -17.67 59.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.004 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.417 ' CE3' HG22 ' A' ' 34' ' ' ILE . 32.5 m0 -52.79 150.29 5.45 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.909 0.385 . . . . 0.0 111.149 -179.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.39 -169.81 1.65 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.315 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -47.65 -29.1 2.73 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.017 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 32.5 t -128.44 116.34 41.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.805 179.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.417 HG22 ' CE3' ' A' ' 30' ' ' TRP . 11.0 pt -53.85 160.99 1.86 Allowed Pre-proline 0 C--N 1.331 -0.223 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.391 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -53.89 165.76 1.76 Allowed 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.655 2.237 . . . . 0.0 112.489 -179.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -71.43 -33.0 69.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.37 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.9 mttm -90.02 -20.21 23.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.796 -179.402 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -79.73 -40.87 27.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.837 0.351 . . . . 0.0 110.636 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.425 ' HB3' ' CE2' ' A' ' 52' ' ' TYR . . . -64.32 -25.72 68.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.974 179.666 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -67.37 -70.42 0.25 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.038 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 19.0 mtp180 -54.92 -27.44 43.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.261 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.8 mt -59.56 -34.42 72.67 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.965 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -68.84 -21.93 64.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.297 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.7 mt -85.98 -49.64 15.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.309 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.4 m -57.55 -36.81 55.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.427 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.401 ' CG2' ' NE2' ' A' ' 9' ' ' HIS . 17.5 p -81.95 9.53 8.1 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.814 -179.547 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 65.28 32.84 9.61 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.803 0.335 . . . . 0.0 111.119 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 76.97 27.66 60.01 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.612 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.76 -50.47 17.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.833 0.349 . . . . 0.0 110.994 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.9 mt -93.2 115.64 28.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.806 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.0 124.7 28.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.981 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.505 ' CE1' ' CD2' ' A' ' 57' ' ' TYR . 16.9 t80 -66.25 149.92 49.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.786 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.434 ' O ' ' CD2' ' A' ' 57' ' ' TYR . 45.6 mt-30 -144.78 108.88 4.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.884 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.16 -15.31 45.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.608 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -45.68 -52.61 10.58 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.706 0.289 . . . . 0.0 111.551 -179.695 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -78.28 -24.28 46.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.984 0.421 . . . . 0.0 111.421 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.505 ' CD2' ' CE1' ' A' ' 52' ' ' TYR . 2.3 m-85 -105.34 38.36 1.98 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.819 -179.612 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -104.41 -38.34 6.86 Favored 'General case' 0 CA--C 1.522 -0.103 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.118 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -113.25 -36.7 4.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.149 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.59 163.33 9.13 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.118 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.184 -0.912 . . . . 0.0 111.002 -179.823 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.7 ptp . . . . . 0 N--CA 1.487 1.407 0 CA-C-O 120.865 0.364 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -83.66 136.61 34.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.934 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.3 tttp -57.66 -28.25 63.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.116 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.5 tptm -60.63 -49.83 75.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.064 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.86 -47.1 86.1 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.0 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.0 t -55.52 -55.14 18.76 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.438 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.293 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 63.9 mt -59.15 -31.84 46.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.061 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.9 -24.51 52.52 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.492 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.42 ' CD2' HG21 ' A' ' 46' ' ' THR . 31.7 t60 -84.46 -32.03 24.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.592 179.807 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.43 ' CE2' HG12 ' A' ' 16' ' ' VAL . 36.5 m-85 -92.54 -35.76 13.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.031 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 92.57 -46.33 2.55 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.202 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 60.1 p -130.0 147.6 51.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.778 0.323 . . . . 0.0 110.725 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -58.21 -55.39 35.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.96 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.5 tpt180 -45.52 -32.41 2.23 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.285 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.27 -54.63 37.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.833 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.43 HG12 ' CE2' ' A' ' 10' ' ' PHE . 1.1 t -57.46 -39.95 71.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.111 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.43 -30.89 69.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.174 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.7 tttp -79.5 -37.11 37.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.988 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.51 -41.79 60.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.189 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 55.8 mt -80.05 -33.81 38.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.993 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 100.67 27.24 7.64 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.499 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 36.2 pt -116.93 -179.25 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.841 0.353 . . . . 0.0 111.072 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 29.4 t -89.57 160.67 16.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.914 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -60.37 -31.7 70.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.851 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.76 -42.73 90.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.111 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.405 ' O ' ' CD1' ' A' ' 30' ' ' TRP . . . -59.43 -31.0 68.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.08 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 41.9 t -75.6 -46.88 35.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.152 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.86 -37.94 85.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.957 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -60.27 -20.04 57.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.106 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.405 ' CD1' ' O ' ' A' ' 26' ' ' ALA . 42.6 m0 -53.05 157.54 1.74 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.867 0.365 . . . . 0.0 111.378 -179.783 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.2 pttt -119.32 -163.25 0.96 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.814 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -46.7 -36.65 7.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.694 0.283 . . . . 0.0 111.175 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 24.2 t -122.91 117.33 51.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.841 0.353 . . . . 0.0 110.929 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 8.6 pt -55.42 159.22 4.78 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.3 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -53.1 157.7 7.99 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.661 2.241 . . . . 0.0 112.4 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.423 ' HG3' ' CD1' ' A' ' 57' ' ' TYR . 6.1 tt0 -68.23 -32.84 73.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.463 -179.649 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.4 pttt -89.95 -22.78 21.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.778 -179.315 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 -79.89 -40.49 28.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.852 0.358 . . . . 0.0 110.602 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.411 ' HB3' ' CE2' ' A' ' 52' ' ' TYR . . . -64.93 -27.88 69.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.833 179.604 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -67.73 -57.39 6.43 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.918 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -62.36 -29.55 70.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.994 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 18.3 mt -57.19 -51.03 70.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.087 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.84 -47.17 64.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.175 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.8 mt -71.11 -44.68 74.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.329 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.72 -37.38 75.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.42 -179.758 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.42 HG21 ' CD2' ' A' ' 9' ' ' HIS . 31.4 p -88.26 37.78 0.83 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.757 -179.459 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 46.89 28.83 0.9 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.732 0.301 . . . . 0.0 111.694 179.581 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 70.41 31.59 68.43 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.517 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.79 -45.3 71.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.798 0.332 . . . . 0.0 111.116 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.0 mt -94.36 176.44 6.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.792 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.3 ptmt -126.33 125.75 42.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.958 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.467 ' CE1' ' CD2' ' A' ' 57' ' ' TYR . 7.3 t80 -83.98 115.45 22.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.97 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -108.75 138.32 45.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.62 179.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -90.1 44.69 1.22 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.905 0.383 . . . . 0.0 111.244 -179.692 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 69.5 m-20 -90.28 -74.79 0.48 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.564 179.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.93 -13.96 62.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.171 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.467 ' CD2' ' CE1' ' A' ' 52' ' ' TYR . 21.9 m-85 -89.17 12.33 16.15 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.345 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.31 95.22 4.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.085 0.469 . . . . 0.0 111.042 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -89.01 60.33 5.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.693 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -102.84 31.8 3.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.101 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.121 0 CA-C-O 118.28 -0.867 . . . . 0.0 111.056 179.954 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.824 0.345 . . . . 0.0 111.185 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -88.96 144.96 25.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.004 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 6.1 tttm -61.69 -42.76 99.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.044 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 17.3 tttm -53.53 -25.58 17.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.325 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -76.16 -47.71 23.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.096 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.9 t -54.94 -56.74 9.33 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.398 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.371 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.0 mp -59.92 -24.93 31.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.963 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.5 -28.25 56.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.012 0.434 . . . . 0.0 110.147 179.551 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.437 ' CE1' ' HB ' ' A' ' 46' ' ' THR . 3.3 t60 -90.08 -29.47 18.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.453 179.674 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.429 ' CE2' ' HA ' ' A' ' 16' ' ' VAL . 2.5 m-85 -91.84 -46.3 7.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.1 -179.528 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 106.86 -40.4 2.52 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.505 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 13.2 p -126.5 175.55 7.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.821 0.344 . . . . 0.0 110.96 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -88.05 -50.6 6.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.88 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.8 ttt180 -54.42 -30.36 52.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.946 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.02 -45.78 92.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.844 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.429 ' HA ' ' CE2' ' A' ' 10' ' ' PHE . 0.5 OUTLIER -60.49 -39.46 81.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.2 -28.5 69.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.096 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.0 mmtt -90.11 16.46 8.4 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.455 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -111.47 -42.21 3.93 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.875 0.369 . . . . 0.0 111.094 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -97.75 -30.13 12.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.939 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 113.0 28.11 3.49 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.462 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.406 HD11 HG22 ' A' ' 22' ' ' ILE . 32.8 pt -114.53 -178.92 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.794 0.331 . . . . 0.0 111.163 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.1 p -97.33 165.15 12.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.992 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -59.91 -30.94 69.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.944 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.02 -46.36 91.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.105 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.21 -37.17 76.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.146 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 61.7 t -70.76 -38.86 74.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.026 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 18.7 m -69.19 -28.9 66.8 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.967 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -78.67 -17.06 56.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.388 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.423 ' CD2' HG23 ' A' ' 34' ' ' ILE . 26.4 m0 -52.91 125.11 15.99 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.833 0.349 . . . . 0.0 111.119 -179.799 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.6 pttm -87.99 -163.92 1.03 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.929 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -49.37 -27.76 4.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.684 0.278 . . . . 0.0 111.168 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.6 t -131.36 120.37 45.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.109 0.48 . . . . 0.0 111.132 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.423 HG23 ' CD2' ' A' ' 30' ' ' TRP . 20.3 pt -70.78 159.8 84.1 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.187 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -49.24 158.34 1.56 Allowed 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.701 2.268 . . . . 0.0 112.633 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -68.76 -28.95 67.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.138 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.83 -22.56 22.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.506 -179.585 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -79.79 -44.59 20.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.825 0.345 . . . . 0.0 110.559 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.426 ' HB2' ' CE2' ' A' ' 52' ' ' TYR . . . -65.55 -24.61 67.14 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.833 179.552 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -66.8 -58.73 4.47 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.918 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 17.9 mtm180 -57.61 -37.42 73.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.948 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 19.5 mt -53.85 -52.19 61.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.062 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 50.9 tt0 -50.03 -30.13 10.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.183 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.0 mt -88.94 -44.43 15.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.95 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 22.9 t -65.22 -21.16 28.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.604 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.437 ' HB ' ' CE1' ' A' ' 9' ' ' HIS . 14.7 p -92.36 23.8 3.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.278 -179.679 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 56.45 31.04 18.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.843 0.354 . . . . 0.0 111.082 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 71.05 25.76 75.12 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.528 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -73.12 -54.2 9.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.816 0.341 . . . . 0.0 110.998 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 62.7 mt -80.08 165.39 22.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.821 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.2 tptt -123.32 120.19 32.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.943 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.508 ' CE1' ' CD2' ' A' ' 57' ' ' TYR . 5.3 t80 -78.7 121.97 25.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.021 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -112.48 128.56 56.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.712 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -90.12 37.42 0.89 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.324 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -90.18 -32.17 16.73 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 120.897 0.379 . . . . 0.0 110.579 179.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -102.4 -23.84 13.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.177 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.508 ' CD2' ' CE1' ' A' ' 52' ' ' TYR . 11.3 m-85 -94.06 18.88 9.91 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.227 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.2 45.92 1.01 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.771 0.319 . . . . 0.0 111.002 179.559 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -124.73 32.12 5.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.034 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -145.39 33.1 1.07 Allowed 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.04 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.892 0 CA-C-O 118.127 -0.939 . . . . 0.0 111.338 179.614 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.1 mmt . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.789 0.328 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -73.5 125.59 28.29 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.734 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 19.8 ttpt -52.95 -28.19 22.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.099 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.0 tttp -57.32 -44.77 84.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.869 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -70.07 -45.18 67.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.721 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.8 t -57.15 -52.88 50.68 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.473 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.02 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.457 HD12 HG23 ' A' ' 7' ' ' ILE . 64.7 mt -55.98 -29.39 26.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.083 179.789 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.92 -29.41 50.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.31 179.705 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -84.08 -31.6 25.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.369 179.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.435 ' CD2' HG13 ' A' ' 16' ' ' VAL . 37.9 m-85 -90.64 -28.96 18.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.985 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 92.98 -45.28 2.48 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.415 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -145.46 -177.64 5.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.812 0.339 . . . . 0.0 110.707 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -75.22 -43.32 52.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.84 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.07 -38.19 70.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.072 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.48 -39.03 82.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.085 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.435 HG13 ' CD2' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -77.86 -42.13 28.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.948 179.812 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.07 -36.27 65.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.314 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.0 pttt -77.21 -26.59 52.89 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.984 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.96 -59.17 3.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.282 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 11.3 mt -79.81 -23.96 41.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.207 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 97.06 28.29 8.78 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.608 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 31.3 pt -111.22 -179.97 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.78 0.324 . . . . 0.0 111.098 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 73.8 m -95.8 168.61 10.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.792 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -58.31 -30.52 66.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.964 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.43 -44.61 90.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.015 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.9 -46.3 85.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.113 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 58.6 t -68.55 -37.01 77.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.997 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 23.0 t -72.87 -34.7 66.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -68.28 -18.58 64.57 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.146 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.405 ' CE3' HG23 ' A' ' 34' ' ' ILE . 27.1 m0 -53.17 -178.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.929 0.395 . . . . 0.0 111.236 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 29.1 mttm -147.56 -162.95 1.65 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.773 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -49.93 -26.67 4.37 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.189 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 3.5 t -136.2 114.9 15.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.969 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.405 HG23 ' CE3' ' A' ' 30' ' ' TRP . 39.9 pt -65.15 161.0 52.75 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.318 -179.818 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -52.69 163.23 1.99 Allowed 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.471 2.114 . . . . 0.0 112.308 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -72.89 -30.37 63.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.037 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 9.6 mttp -85.07 -23.37 28.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.204 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -79.67 -46.8 16.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.896 0.379 . . . . 0.0 110.067 179.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.402 ' HA ' HD13 ' A' ' 42' ' ' LEU . . . -60.85 -24.63 66.05 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.956 179.256 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 21.6 t80 -68.1 -55.83 11.05 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.172 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.2 mtt85 -55.87 -22.08 23.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.58 -179.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.402 HD13 ' HA ' ' A' ' 39' ' ' ALA . 51.3 mt -52.52 -57.98 8.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.797 0.332 . . . . 0.0 111.344 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -53.81 -23.74 13.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.596 -179.665 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.8 mt -85.97 -50.66 14.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.736 0.303 . . . . 0.0 111.35 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.436 ' CG1' ' N ' ' A' ' 46' ' ' THR . 0.6 OUTLIER -71.73 -42.91 70.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.037 0.446 . . . . 0.0 111.484 -179.596 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.436 ' N ' ' CG1' ' A' ' 45' ' ' VAL . 19.2 p -79.82 3.95 18.01 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.901 -179.583 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 62.79 30.2 16.71 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.811 0.339 . . . . 0.0 111.237 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 80.74 27.07 52.16 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.532 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.61 -50.98 71.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.862 0.363 . . . . 0.0 110.907 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.8 mp -98.93 -178.07 3.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.754 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.53 103.88 9.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.877 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -71.63 115.77 11.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -123.87 133.18 53.82 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.712 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -90.16 26.05 2.0 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.386 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -72.76 -74.96 0.15 Allowed 'General case' 0 C--O 1.234 0.265 0 CA-C-O 120.756 0.312 . . . . 0.0 110.482 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.11 -18.48 60.93 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.896 0.379 . . . . 0.0 111.008 179.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -79.56 -14.84 58.57 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.184 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 16.3 mtp180 -80.02 -174.38 4.42 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-O 121.129 0.49 . . . . 0.0 110.529 -179.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -99.74 166.03 11.3 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.933 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . 64.89 -78.48 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.866 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.822 0 CA-C-O 118.155 -0.926 . . . . 0.0 111.108 -179.867 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.895 0.379 . . . . 0.0 111.322 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -76.85 159.08 30.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.835 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 11.2 tttt -71.11 -30.14 66.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.934 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 9.8 ttmt -60.67 -44.31 96.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.99 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.13 -51.96 66.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.016 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.4 t -53.81 -53.68 25.07 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.354 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.186 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 52.8 mt -57.85 -29.33 35.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.12 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.19 -27.02 53.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.889 0.376 . . . . 0.0 110.343 179.773 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.413 ' CD2' HG23 ' A' ' 46' ' ' THR . 22.7 t60 -85.69 -30.9 22.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.713 179.792 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.425 ' CE2' HG11 ' A' ' 16' ' ' VAL . 43.2 m-85 -93.8 -34.61 13.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.219 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 92.33 -45.98 2.6 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.19 -179.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 43.2 p -132.85 137.8 46.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.71 0.291 . . . . 0.0 110.527 179.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -50.87 -51.12 54.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.251 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.1 tpp180 -46.95 -34.14 5.26 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.291 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.43 -51.49 65.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.024 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.425 HG11 ' CE2' ' A' ' 10' ' ' PHE . 0.5 OUTLIER -54.75 -43.64 67.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.187 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.7 -28.57 67.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.136 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.88 -30.85 62.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.001 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -79.65 -36.25 38.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.208 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.7 mt -89.49 -31.17 17.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.901 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 92.95 26.75 15.59 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.371 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 39.9 pt -112.43 -178.01 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.826 0.345 . . . . 0.0 111.051 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.2 p -84.79 161.64 19.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.841 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -65.61 -32.34 73.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.91 -43.85 97.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.119 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.54 -32.74 70.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.12 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.404 HG12 ' CZ3' ' A' ' 30' ' ' TRP . 47.8 t -72.76 -43.04 61.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.095 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.7 t -71.03 -30.46 66.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.909 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -72.68 -13.95 61.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.478 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.406 ' CD1' ' HD3' ' A' ' 35' ' ' PRO . 20.1 m0 -54.97 129.66 38.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.934 0.397 . . . . 0.0 111.176 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.14 -164.91 0.95 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.595 179.749 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -47.82 -28.93 2.83 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.025 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.7 t -133.75 124.8 48.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.889 179.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.401 ' CD1' ' CD1' ' A' ' 42' ' ' LEU . 42.4 pt -64.51 158.34 67.53 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.154 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.406 ' HD3' ' CD1' ' A' ' 30' ' ' TRP . 77.7 Cg_exo -50.77 168.66 0.2 Allowed 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.596 2.198 . . . . 0.0 112.643 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.427 ' HG3' ' CD1' ' A' ' 57' ' ' TYR . 4.3 tt0 -67.5 -58.95 3.82 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.34 -179.776 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.0 mttt -65.63 -15.68 62.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.789 -179.406 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -79.85 -53.13 7.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.816 0.341 . . . . 0.0 110.637 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.418 ' HB1' ' CE2' ' A' ' 52' ' ' TYR . . . -62.19 -22.31 65.8 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.493 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 83.4 t80 -72.91 -63.61 1.14 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.026 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 5.0 mtp85 -57.07 -21.23 30.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.423 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.441 ' HA ' ' CG2' ' A' ' 45' ' ' VAL . 15.1 mt -64.52 -40.59 95.92 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.568 -179.501 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -54.83 -52.16 63.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.902 0.382 . . . . 0.0 111.007 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.6 mp -58.65 -47.51 88.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.084 -0.507 . . . . 0.0 112.328 -179.494 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.441 ' CG2' ' HA ' ' A' ' 42' ' ' LEU . 11.3 m -63.76 -41.24 91.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.948 0.404 . . . . 0.0 111.548 -179.258 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.413 HG23 ' CD2' ' A' ' 9' ' ' HIS . 65.2 p -79.7 6.59 10.38 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.854 -179.508 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 63.78 35.24 11.36 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.912 0.387 . . . . 0.0 111.183 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 76.56 26.46 63.16 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.593 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.42 -56.76 17.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.895 0.379 . . . . 0.0 110.939 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.9 mt -98.24 144.95 27.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.62 179.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.45 112.35 24.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.89 0.376 . . . . 0.0 111.217 -179.702 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.499 ' CE1' ' CD2' ' A' ' 57' ' ' TYR . 2.3 t80 -67.79 132.1 46.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.9 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -117.76 143.82 45.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.435 179.682 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -90.25 38.09 0.92 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.786 0.327 . . . . 0.0 111.426 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -90.4 -76.9 0.42 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.563 -0.289 . . . . 0.0 110.94 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.98 -13.35 61.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.827 0.346 . . . . 0.0 111.579 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.499 ' CD2' ' CE1' ' A' ' 52' ' ' TYR . 75.8 m-85 -98.54 26.91 5.14 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.133 0.492 . . . . 0.0 111.187 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.95 80.44 2.73 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.833 179.807 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.47 179.79 3.86 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.837 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -158.32 150.8 22.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 179.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.298 -0.858 . . . . 0.0 111.049 -179.842 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.852 0.358 . . . . 0.0 111.152 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -91.79 143.67 26.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.729 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.86 -27.35 60.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.037 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.9 tttp -59.26 -50.23 74.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.942 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -58.57 -46.87 86.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.921 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.7 t -57.35 -51.68 66.45 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.489 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.188 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.475 HG23 HD13 ' A' ' 7' ' ' ILE . 57.5 mt -60.23 -27.99 40.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.224 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.58 -26.42 55.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.532 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.457 ' CE1' ' CB ' ' A' ' 49' ' ' ALA . 34.8 t60 -86.33 -32.45 21.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.699 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.427 ' CE2' HG12 ' A' ' 16' ' ' VAL . 45.4 m-85 -92.15 -33.2 14.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.001 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 92.02 -46.87 2.68 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.202 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -134.51 148.52 50.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.734 0.302 . . . . 0.0 110.689 179.751 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -56.02 -51.66 67.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.058 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.6 -39.07 7.22 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.403 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.0 -51.33 70.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.998 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.427 HG12 ' CE2' ' A' ' 10' ' ' PHE . 0.6 OUTLIER -55.59 -44.9 78.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.192 179.921 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.01 -29.03 69.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.165 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.36 22.51 3.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.272 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -132.07 -46.29 0.93 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.746 0.308 . . . . 0.0 111.103 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 16.8 mt -80.27 -31.06 38.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.881 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 109.09 28.13 4.54 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.544 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 41.2 pt -116.63 -179.11 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.858 0.361 . . . . 0.0 110.961 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.1 t -89.83 161.19 16.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -59.67 -30.84 69.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.947 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.14 -33.18 69.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.083 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.36 -43.59 92.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.064 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.427 HG12 ' CZ3' ' A' ' 30' ' ' TRP . 41.7 t -66.35 -47.87 82.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.064 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 18.2 p -67.2 -29.28 68.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.918 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -72.69 -19.43 61.41 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.401 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.427 ' CZ3' HG12 ' A' ' 27' ' ' VAL . 33.1 m0 -52.92 155.92 2.23 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.056 0.455 . . . . 0.0 111.145 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.4 mmtp -107.12 -170.66 1.74 Allowed 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.834 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -48.08 -28.49 2.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.779 0.323 . . . . 0.0 110.95 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 31.7 t -127.02 119.77 53.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 179.653 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.403 HD12 ' CD1' ' A' ' 42' ' ' LEU . 47.2 pt -56.01 156.96 9.14 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.201 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -53.55 -175.05 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.489 2.126 . . . . 0.0 112.256 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 71.1 tt0 -89.95 -41.14 11.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.182 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 9.2 mtpt -81.45 -17.8 47.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.49 -179.584 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -79.75 -47.88 14.54 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 179.681 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.429 ' HB2' ' CD1' ' A' ' 52' ' ' TYR . . . -56.88 -25.83 57.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.852 179.281 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -75.89 -49.62 17.36 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.972 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 18.0 mtt85 -67.53 -30.47 70.14 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.144 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.403 ' CD1' HD12 ' A' ' 34' ' ' ILE . 14.7 mt -58.52 -39.47 80.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.115 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.74 -17.82 65.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.247 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.8 mt -91.14 -48.25 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.032 0.444 . . . . 0.0 111.011 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 16.6 m -61.49 -43.13 96.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.261 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.448 ' CG2' ' CD2' ' A' ' 9' ' ' HIS . 74.7 p -79.83 4.72 15.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.895 -179.491 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 65.88 30.39 9.93 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 120.824 0.345 . . . . 0.0 111.244 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 80.63 26.91 52.94 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.649 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.457 ' CB ' ' CE1' ' A' ' 9' ' ' HIS . . . -68.68 -36.66 78.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.798 0.332 . . . . 0.0 110.975 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 23.4 mt -102.53 -176.53 3.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.763 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -128.26 107.77 10.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.888 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.429 ' CD1' ' HB2' ' A' ' 39' ' ' ALA . 9.2 t80 -74.54 126.51 30.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.866 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.421 ' O ' ' CD2' ' A' ' 57' ' ' TYR . 36.8 mt-30 -128.35 120.7 27.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.566 179.619 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -85.1 19.2 2.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.715 -179.707 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -61.25 -69.13 0.25 Allowed 'General case' 0 CA--C 1.518 -0.287 0 CA-C-O 120.764 0.316 . . . . 0.0 110.326 179.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.23 -13.34 62.13 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-O 120.812 0.339 . . . . 0.0 110.989 179.328 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.421 ' CD2' ' O ' ' A' ' 53' ' ' GLN . 14.6 m-85 -97.4 26.52 4.83 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.0 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 16.1 ttp85 -101.95 -57.71 2.02 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.09 0.471 . . . . 0.0 110.987 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.42 139.98 43.71 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.079 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -139.16 -47.37 0.48 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.052 -179.662 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.261 0 CA-C-O 117.687 -1.149 . . . . 0.0 111.319 179.954 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.4 ptp . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.837 0.351 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -83.05 139.9 32.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.965 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 34.5 tttt -59.32 -24.39 63.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.059 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.8 -38.38 67.25 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.032 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.98 -48.84 33.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.802 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.1 t -54.29 -57.13 6.8 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.018 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.47 HG21 HD12 ' A' ' 7' ' ' ILE . 46.3 mt -56.86 -26.76 24.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.119 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.96 -27.73 49.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.001 0.429 . . . . 0.0 110.343 179.651 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.433 ' CD2' HG21 ' A' ' 46' ' ' THR . 17.9 t60 -87.43 -29.11 21.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.725 179.78 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.424 ' CE2' HG12 ' A' ' 16' ' ' VAL . 55.0 m-85 -96.43 -27.38 14.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.132 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 92.37 -47.82 2.61 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.12 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.7 p -142.5 155.97 45.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.808 0.337 . . . . 0.0 110.51 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -54.86 -50.69 68.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.997 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.1 ttt-85 -44.9 -40.21 6.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.499 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.62 -51.12 70.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.072 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.424 HG12 ' CE2' ' A' ' 10' ' ' PHE . 0.9 OUTLIER -55.91 -40.92 65.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.199 179.927 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.01 -30.01 70.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.168 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.3 mmtp -76.2 -30.87 58.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.996 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.24 -49.45 17.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.255 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 15.5 mt -79.93 -29.57 39.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.974 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 93.57 28.0 12.08 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.458 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.491 HD13 HG21 ' A' ' 22' ' ' ILE . 31.6 pt -110.01 -179.57 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.82 0.343 . . . . 0.0 111.127 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 91.9 p -88.91 161.65 16.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.895 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.07 -31.39 72.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.944 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.36 -44.16 97.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.02 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.54 -42.89 93.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.083 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 28.7 t -60.9 -52.44 61.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.161 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.8 t -63.19 -36.47 83.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.981 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -61.15 -19.5 61.61 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.562 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 46.7 m0 -53.93 166.94 0.3 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.261 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.4 pttt -126.71 -166.61 1.61 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.16 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -44.67 -30.7 0.98 Allowed 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.386 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 30.5 t -130.51 120.7 49.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.85 179.587 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 12.6 pt -54.59 157.88 4.76 Favored Pre-proline 0 C--N 1.33 -0.239 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.165 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_exo -51.0 171.35 0.12 Allowed 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.543 2.162 . . . . 0.0 112.425 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -77.69 -33.21 53.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.228 -179.745 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.1 mttp -90.02 -20.05 23.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.675 -179.605 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -79.73 -40.44 28.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.814 0.34 . . . . 0.0 110.544 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.404 ' HB2' ' CE2' ' A' ' 52' ' ' TYR . . . -62.92 -26.75 68.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.752 179.523 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 72.0 t80 -74.14 -51.68 14.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.92 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -65.82 -24.15 66.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.096 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.442 ' HA ' ' CG2' ' A' ' 45' ' ' VAL . 9.9 mt -66.52 -34.65 78.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.36 -179.679 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.64 -51.34 70.35 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.976 0.417 . . . . 0.0 110.914 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.5 mp -61.18 -47.01 95.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.985 -0.552 . . . . 0.0 112.421 -179.368 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.442 ' CG2' ' HA ' ' A' ' 42' ' ' LEU . 15.2 m -61.11 -42.33 92.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.881 0.372 . . . . 0.0 111.778 -179.232 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.433 HG21 ' CD2' ' A' ' 9' ' ' HIS . 23.4 p -79.83 6.5 10.88 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.848 -179.568 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 64.87 31.83 11.26 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-O 120.861 0.362 . . . . 0.0 111.121 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 79.61 26.07 57.38 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.673 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.81 -32.12 69.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.912 0.387 . . . . 0.0 110.993 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.5 mt -118.72 117.76 29.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.736 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 6.9 ttpp -79.92 119.49 22.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.073 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.517 ' CE1' ' CD2' ' A' ' 57' ' ' TYR . 12.0 t80 -61.71 139.7 58.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.028 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.41 ' O ' ' CD2' ' A' ' 57' ' ' TYR . 17.7 mm-40 -133.94 126.19 29.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.693 179.719 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -89.16 46.33 1.37 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.183 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -90.16 -54.72 3.9 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.64 179.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -88.61 -18.67 27.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.197 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.517 ' CD2' ' CE1' ' A' ' 52' ' ' TYR . 22.7 m-85 -79.86 -23.86 41.65 Favored 'General case' 0 CA--C 1.528 0.127 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.981 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 7.1 tpm_? -79.97 -66.76 0.83 Allowed 'General case' 0 C--O 1.235 0.313 0 CA-C-O 121.004 0.431 . . . . 0.0 110.695 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -123.19 101.08 7.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.947 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -169.39 119.49 0.68 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.198 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.202 -0.904 . . . . 0.0 111.098 -179.878 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.855 0.359 . . . . 0.0 111.11 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -89.14 147.35 24.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 7.6 tttt -57.12 -27.14 61.55 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.064 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.66 -48.39 79.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.019 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -61.0 -51.77 67.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.945 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.0 t -54.49 -52.56 38.95 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.434 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.17 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.441 HD13 HG22 ' A' ' 7' ' ' ILE . 57.7 mt -57.66 -27.92 30.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.14 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.36 -28.12 52.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.996 0.427 . . . . 0.0 110.45 179.681 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.42 ' CD2' HG23 ' A' ' 46' ' ' THR . 11.3 t60 -85.33 -30.54 23.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.542 179.812 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.434 ' CE2' HG11 ' A' ' 16' ' ' VAL . 47.6 m-85 -94.38 -27.67 15.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.157 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 88.37 -52.63 4.06 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.279 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -129.98 148.05 51.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.729 0.299 . . . . 0.0 110.674 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -56.55 -53.84 52.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.994 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.99 -31.57 3.3 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.309 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.8 -53.76 51.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.886 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.434 HG11 ' CE2' ' A' ' 10' ' ' PHE . 1.2 t -55.62 -41.02 62.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.077 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.32 -37.25 82.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.09 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.17 22.28 3.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.461 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -125.58 -48.86 1.66 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.795 0.331 . . . . 0.0 111.096 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 11.2 mt -79.97 -30.81 39.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 113.14 27.73 3.59 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.49 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 30.6 pt -122.05 -178.9 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.882 0.372 . . . . 0.0 110.999 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 60.7 p -93.83 162.47 13.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -59.74 -32.15 70.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.853 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.2 -38.91 88.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.137 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.58 -38.11 88.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.146 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.8 t -67.94 -50.78 56.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.094 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.4 m -61.76 -29.71 70.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.941 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -71.84 -22.19 61.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.335 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 46.8 m0 -53.48 125.89 19.57 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.841 0.353 . . . . 0.0 111.063 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.7 mtmm -80.09 -163.49 0.55 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.624 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -49.58 -27.96 5.09 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.652 0.263 . . . . 0.0 110.991 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 16.1 t -127.91 127.15 67.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.839 0.352 . . . . 0.0 110.956 179.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.403 ' CD1' ' CD1' ' A' ' 42' ' ' LEU . 3.8 pt -57.42 154.61 22.55 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.398 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -55.58 162.76 5.96 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.556 2.171 . . . . 0.0 112.26 179.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.34 -54.08 28.83 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.263 -179.758 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.86 -19.3 64.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.558 -179.595 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -79.66 -45.46 19.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.836 0.35 . . . . 0.0 110.276 179.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.405 ' HB2' ' CD1' ' A' ' 52' ' ' TYR . . . -60.15 -28.44 67.91 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.003 179.564 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 92.0 t80 -74.07 -45.46 49.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.99 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -71.07 -30.02 66.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.403 ' CD1' ' CD1' ' A' ' 34' ' ' ILE . 11.8 mt -58.59 -43.45 89.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.06 -179.746 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 59.1 tt0 -49.3 -60.34 2.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.913 0.387 . . . . 0.0 110.77 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.6 mp -56.14 -46.34 81.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.501 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 19.6 t -63.28 -35.75 73.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.51 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.42 HG23 ' CD2' ' A' ' 9' ' ' HIS . 70.7 p -87.58 11.7 14.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.7 -179.762 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 60.83 28.17 17.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.686 0.279 . . . . 0.0 111.143 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 83.35 29.69 32.63 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.665 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -76.82 -42.3 40.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.841 0.353 . . . . 0.0 110.98 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 28.4 mt -108.21 125.58 51.81 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.842 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.06 105.73 13.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.988 -179.797 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.405 ' CD1' ' HB2' ' A' ' 39' ' ' ALA . 29.2 t80 -65.37 135.02 54.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.656 179.77 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -130.66 102.73 6.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.04 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -59.78 -22.59 62.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.952 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 13.0 p30 -57.45 -34.78 69.33 Favored 'General case' 0 C--O 1.224 -0.25 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.833 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -92.67 14.03 18.29 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.023 179.663 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -140.43 22.88 2.35 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.787 0.327 . . . . 0.0 110.906 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 15.8 mtt180 -129.0 30.01 5.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.928 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -117.68 74.78 0.95 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.042 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -111.43 -32.77 6.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.019 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.141 -0.933 . . . . 0.0 111.015 179.965 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.944 0.402 . . . . 0.0 111.175 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -76.33 148.57 37.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.02 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.27 -32.5 70.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.143 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 16.3 ttpp -59.24 -19.97 50.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.495 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.55 -48.17 9.82 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.702 0.287 . . . . 0.0 111.252 -179.752 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.1 t -53.84 -44.74 61.34 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 CA-C-O 120.846 0.355 . . . . 0.0 111.184 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 99.6 mt -70.34 -32.81 51.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.981 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.45 -25.37 50.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.602 179.676 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.6 t60 -84.07 -27.41 28.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.703 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.436 ' CD2' HG13 ' A' ' 16' ' ' VAL . 4.3 m-85 -91.5 -49.94 6.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.992 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 121.03 -29.04 5.9 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.488 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -152.4 179.15 8.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.767 0.318 . . . . 0.0 110.873 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -84.18 -44.54 13.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.894 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 6.9 ttm180 -59.16 -30.86 68.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.931 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.28 -35.28 79.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.072 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.436 HG13 ' CD2' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -82.37 -35.75 13.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 179.917 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.14 -27.38 66.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.252 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.7 -30.94 22.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.919 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.35 -49.49 59.92 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.165 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 20.6 mt -80.03 -33.6 39.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 106.2 27.29 5.65 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.658 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 24.8 pt -112.44 -179.99 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.838 0.351 . . . . 0.0 111.068 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -88.95 161.49 16.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -59.05 -31.35 68.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.975 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.61 -41.54 92.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.04 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.11 -45.07 83.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.118 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.419 HG11 ' CZ3' ' A' ' 30' ' ' TRP . 51.5 t -62.96 -42.05 95.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 76.7 p -71.88 -30.94 65.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.995 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.3 -10.55 59.56 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.545 179.825 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.421 ' CD1' ' HD3' ' A' ' 35' ' ' PRO . 21.1 m0 -58.61 130.29 46.15 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.755 0.312 . . . . 0.0 110.699 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.7 mtmm -81.91 -168.46 1.93 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.272 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -48.2 -37.89 16.96 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.771 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 24.3 t -118.07 122.97 70.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.662 179.503 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 7.9 pt -55.82 157.42 7.95 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.425 -179.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.421 ' HD3' ' CD1' ' A' ' 30' ' ' TRP . 74.9 Cg_exo -49.11 166.52 0.17 Allowed 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.777 2.318 . . . . 0.0 112.76 -179.714 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.421 ' HG2' ' OH ' ' A' ' 52' ' ' TYR . 6.0 tm-20 -74.05 -36.35 64.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.305 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.8 mttt -90.04 -19.61 24.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.723 -179.496 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -79.75 -41.28 26.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.941 0.401 . . . . 0.0 110.665 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.418 ' HB3' ' CE2' ' A' ' 52' ' ' TYR . . . -64.52 -24.66 67.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.21 179.643 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -67.67 -75.34 0.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.276 -179.617 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.4 ptt180 -51.86 -25.33 7.68 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.326 -179.68 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.2 mt -57.74 -37.3 73.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.867 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -63.47 -30.79 71.86 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.884 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.7 mt -79.01 -49.45 20.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.185 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.401 ' CG1' ' N ' ' A' ' 46' ' ' THR . 0.4 OUTLIER -60.09 -39.34 80.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.213 -179.825 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.401 ' N ' ' CG1' ' A' ' 45' ' ' VAL . 72.8 p -82.1 26.51 0.52 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.783 -0.644 . . . . 0.0 112.066 -179.324 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 50.52 27.14 2.71 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.76 0.314 . . . . 0.0 111.462 179.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 76.76 22.64 71.67 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.644 -0.788 . . . . 0.0 112.626 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.6 -54.77 38.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.86 0.362 . . . . 0.0 110.897 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.0 mt -86.96 167.25 14.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.628 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.79 125.45 44.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.923 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.516 ' CE1' ' CD2' ' A' ' 57' ' ' TYR . 13.5 t80 -72.84 130.69 41.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.129 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.471 ' O ' ' CD2' ' A' ' 57' ' ' TYR . 4.9 mt-30 -124.27 124.41 42.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.363 179.659 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -87.58 29.74 0.86 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.665 -179.549 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -90.4 -36.03 14.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.653 0.263 . . . . 0.0 110.526 179.567 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -94.81 -16.52 22.9 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.196 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.516 ' CD2' ' CE1' ' A' ' 52' ' ' TYR . 22.2 m-85 -94.31 22.0 6.45 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.1 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 38.5 mtt-85 -110.01 -175.37 2.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.731 0.3 . . . . 0.0 110.708 -179.601 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -147.46 130.86 16.64 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.08 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . 59.68 176.09 0.08 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.095 0.474 . . . . 0.0 110.508 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.257 1.461 0 CA-C-O 118.176 -0.916 . . . . 0.0 111.054 179.881 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 32.2 tpp . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.801 0.334 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -75.44 140.55 42.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.792 179.857 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.22 -40.75 86.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.086 -179.91 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 21.8 ttpt -52.64 -40.92 63.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.242 -179.912 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -60.44 -51.46 69.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.993 179.934 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.8 t -57.97 -41.75 80.97 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.219 -179.931 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 50.3 mm -69.52 -37.19 74.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.268 -179.787 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.8 -24.89 58.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.351 179.747 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -83.51 -25.35 31.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.655 179.808 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.412 ' CE2' HG13 ' A' ' 16' ' ' VAL . 3.1 m-85 -98.01 -43.76 6.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.989 -179.798 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 112.34 -27.38 10.1 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.382 -179.763 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 47.6 p -151.29 179.37 8.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.819 0.342 . . . . 0.0 110.771 179.928 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -89.01 -51.17 5.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.864 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.8 tpp180 -52.29 -29.61 24.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.1 179.855 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.15 -48.43 80.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.989 179.922 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.412 HG13 ' CE2' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -59.99 -32.3 49.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 -179.979 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.22 -29.28 70.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.074 -179.92 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.4 mttt -76.28 -46.2 28.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.902 -179.984 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.35 -47.17 86.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.141 -179.976 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 8.5 mt -84.9 -30.86 24.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.71 26.61 19.48 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.382 -179.932 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 42.2 pt -109.41 -178.71 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.857 0.361 . . . . 0.0 111.083 -179.986 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.73 162.19 16.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 179.915 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -58.88 -30.41 67.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.956 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.48 -45.34 91.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.155 -179.943 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.42 -36.85 74.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.152 179.911 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 45.5 t -75.63 -44.78 40.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.099 179.905 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.4 t -69.35 -30.8 68.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.862 -179.963 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -71.13 -19.75 62.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.255 179.93 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.417 ' CD2' HG21 ' A' ' 34' ' ' ILE . 31.4 m0 -52.34 123.44 10.83 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.89 0.376 . . . . 0.0 111.106 -179.95 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.25 -165.52 0.87 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.489 -179.905 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -49.44 -31.67 10.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.131 179.963 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 24.0 t -127.34 111.66 25.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.011 0.434 . . . . 0.0 111.11 179.919 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.418 HD11 HG22 ' A' ' 34' ' ' ILE . 35.6 pt -58.39 159.31 12.1 Favored Pre-proline 0 C--N 1.331 -0.23 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.19 179.912 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -49.91 161.53 0.93 Allowed 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.646 2.231 . . . . 0.0 112.354 -179.912 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -69.31 -39.87 77.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.136 -179.889 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.3 mmtp -82.6 -17.47 44.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.427 -179.718 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -79.78 -48.75 13.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.789 0.328 . . . . 0.0 110.435 179.733 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.423 ' HB1' ' CE2' ' A' ' 52' ' ' TYR . . . -60.51 -27.58 67.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.798 179.461 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -70.32 -53.39 16.94 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.876 179.855 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.34 -26.48 61.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.052 179.948 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 31.1 mt -59.31 -44.05 92.59 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.076 179.971 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.56 -46.88 70.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.012 179.917 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.9 mm -59.34 -48.42 87.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.975 -179.809 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.8 m -69.49 -39.97 79.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.334 -0.393 . . . . 0.0 112.023 -179.241 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 79.2 p -79.77 14.67 1.63 Allowed 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -179.215 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 58.86 26.72 15.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.746 0.308 . . . . 0.0 111.28 179.625 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 73.43 40.5 47.88 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.628 179.978 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -86.0 -43.91 12.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.912 0.387 . . . . 0.0 110.991 179.968 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 10.5 mt -94.06 124.44 38.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.817 179.87 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 17.3 pttt -80.47 112.18 17.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.06 -179.761 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.506 ' CE1' ' CD2' ' A' ' 57' ' ' TYR . 10.2 t80 -61.95 117.67 6.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.916 179.774 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -99.58 115.94 30.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.934 179.968 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -90.29 34.37 0.87 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.334 -179.9 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -88.61 -45.93 9.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.827 0.346 . . . . 0.0 110.572 179.803 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -89.82 -10.07 46.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.333 179.73 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.506 ' CD2' ' CE1' ' A' ' 52' ' ' TYR . 35.0 m-85 -90.41 11.7 20.73 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.327 -179.935 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.68 -30.39 14.33 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-O 120.76 0.314 . . . . 0.0 111.0 179.904 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -139.96 98.77 3.53 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.532 -179.804 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . 59.89 -177.82 0.1 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.793 179.4 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.177 0 CA-C-O 118.058 -0.972 . . . . 0.0 111.523 179.823 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.537 ' HB3' HD11 ' A' ' 34' ' ' ILE . 1.9 ttm . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.894 0.378 . . . . 0.0 111.148 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.461 ' O ' HG23 ' A' ' 6' ' ' VAL . 2.1 m-85 -86.14 138.56 31.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.488 ' HD3' HD11 ' A' ' 7' ' ' ILE . 0.1 OUTLIER -59.46 -31.4 69.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.963 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.71 -31.82 71.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.803 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 47.8 m-20 -79.4 -45.62 19.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.844 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 2' ' ' TYR . 2.8 t -56.35 -51.43 64.08 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.182 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.488 HD11 ' HD3' ' A' ' 3' ' ' LYS . 56.3 mt -58.97 -29.4 40.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.184 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.57 -26.21 54.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.977 0.418 . . . . 0.0 110.538 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.507 ' CD2' HG22 ' A' ' 46' ' ' THR . 13.4 t60 -84.65 -30.79 24.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.576 179.758 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.543 ' CE2' HG13 ' A' ' 16' ' ' VAL . 41.4 m-85 -94.68 -29.78 14.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.193 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 87.86 -52.62 4.19 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.136 -179.656 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 20.8 p -125.24 135.37 52.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.782 0.325 . . . . 0.0 110.472 179.551 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -50.22 -48.84 54.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.298 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 12.0 mtp180 -47.97 -32.08 6.05 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.181 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.35 -50.84 64.07 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.077 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.543 HG13 ' CE2' ' A' ' 10' ' ' PHE . 0.8 OUTLIER -55.62 -46.17 79.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.071 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.8 ' HB1' ' O ' ' A' ' 22' ' ' ILE . . . -60.0 -33.21 71.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.097 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -75.01 -30.09 61.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.941 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.811 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . -70.19 -49.47 49.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.022 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.743 HD21 ' HG ' ' A' ' 42' ' ' LEU . 9.1 mt -80.01 -33.62 39.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 106.66 27.61 5.41 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.592 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.8 ' O ' ' HB1' ' A' ' 17' ' ' ALA . 29.9 pt -115.42 -179.54 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.829 0.347 . . . . 0.0 111.098 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.2 m -88.08 162.95 16.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 26.0 p-10 -63.14 -32.16 73.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.96 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.1 -43.51 95.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.94 -38.76 79.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.139 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 25.7 t -63.92 -52.12 60.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.169 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.63 -33.53 75.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.32 -21.28 66.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.246 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.676 ' CE3' HG22 ' A' ' 34' ' ' ILE . 48.0 m0 -54.21 165.99 0.45 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.201 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.9 mttm -121.39 -163.64 1.06 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.646 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -49.29 -28.22 4.57 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.046 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.7 t -129.75 116.69 39.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 179.579 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.676 HG22 ' CE3' ' A' ' 30' ' ' TRP . 8.9 pt -56.82 155.11 15.84 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.264 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -50.79 159.55 2.28 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.555 2.17 . . . . 0.0 112.42 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -67.84 -35.04 77.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.1 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -83.19 -23.79 32.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.309 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -79.82 -42.16 24.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.815 0.34 . . . . 0.0 110.342 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.545 ' HA ' HD12 ' A' ' 34' ' ' ILE . . . -64.35 -27.0 68.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.73 179.445 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 89.7 t80 -66.54 -69.11 0.32 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.029 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.3 -28.62 59.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.161 -179.763 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.743 ' HG ' HD21 ' A' ' 20' ' ' LEU . 10.9 mt -59.06 -33.31 70.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.062 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 55.7 tt0 -68.65 -20.95 64.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.329 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.8 mt -88.36 -50.24 13.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.869 0.366 . . . . 0.0 111.376 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.811 HG11 ' HB1' ' A' ' 19' ' ' ALA . 2.5 m -58.69 -37.35 65.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.301 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.507 HG22 ' CD2' ' A' ' 9' ' ' HIS . 70.5 p -80.03 5.57 13.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.798 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.422 ' HB3' ' O ' ' A' ' 46' ' ' THR . . . 67.53 33.99 4.85 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-O 120.803 0.335 . . . . 0.0 110.997 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 76.06 25.88 65.58 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.608 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.84 -62.38 1.91 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.928 0.394 . . . . 0.0 111.016 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.7 mt -95.62 123.84 39.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.742 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.99 119.35 22.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.921 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.473 ' CE1' ' CD2' ' A' ' 57' ' ' TYR . 3.6 t80 -68.31 133.89 49.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.104 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.44 142.29 48.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.491 179.773 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -86.06 45.12 1.19 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.345 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -90.34 -62.0 1.56 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.847 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -85.07 -7.47 59.09 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.703 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.473 ' CD2' ' CE1' ' A' ' 52' ' ' TYR . 17.6 m-85 -106.49 30.71 5.78 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.526 -0.307 . . . . 0.0 110.898 -179.709 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.932 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.473 ' HB3' HD11 ' A' ' 34' ' ' ILE . 10.1 ttm . . . . . 0 N--CA 1.484 1.258 0 CA-C-O 120.968 0.414 . . . . 0.0 111.27 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 74.4 m-85 -91.0 145.9 24.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.851 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 5.1 ttpm? -54.53 -29.79 51.8 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.938 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 69.0 tttt -61.48 -40.48 94.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.749 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -65.91 -53.84 34.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.935 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.3 t -54.06 -51.04 50.18 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.429 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.085 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 45.3 mt -60.91 -26.43 38.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.977 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.84 -27.67 55.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.365 179.714 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.42 ' CE1' HG22 ' A' ' 46' ' ' THR . 15.3 t-80 -85.8 -33.45 21.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.588 179.768 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.719 ' CE2' HG13 ' A' ' 16' ' ' VAL . 40.4 m-85 -90.45 -38.24 13.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.182 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.28 -36.44 3.81 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.196 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.9 p -145.26 143.84 30.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.734 0.302 . . . . 0.0 110.571 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -52.82 -49.17 66.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.185 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -48.41 -38.96 20.97 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.432 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.92 -48.09 83.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.041 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.719 HG13 ' CE2' ' A' ' 10' ' ' PHE . 0.4 OUTLIER -59.07 -49.12 84.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.058 -179.885 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.646 ' HB1' ' O ' ' A' ' 22' ' ' ILE . . . -58.16 -38.77 77.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.192 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.96 -29.51 66.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.029 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -80.89 -44.77 17.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.187 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 64.9 mt -79.92 -30.73 40.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.929 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 105.76 -7.64 42.21 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.869 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.646 ' O ' ' HB1' ' A' ' 17' ' ' ALA . 37.8 pt -80.0 177.71 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-O 120.861 0.363 . . . . 0.0 111.115 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.9 m -85.57 159.07 19.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -59.69 -30.46 68.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.929 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.6 -38.69 87.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.107 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.565 ' HB3' HD12 ' A' ' 22' ' ' ILE . . . -59.69 -43.55 94.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.097 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 62.4 t -69.18 -34.54 63.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.081 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.6 p -72.9 -31.69 64.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -74.45 -16.23 60.87 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.294 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 17.1 m0 -52.45 125.97 17.91 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.785 0.326 . . . . 0.0 111.178 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.5 mmmt -80.23 -163.78 0.6 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.624 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -51.16 -33.68 28.01 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.846 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.528 HG12 ' HE1' ' A' ' 57' ' ' TYR . 19.4 t -126.15 130.19 72.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.986 0.422 . . . . 0.0 110.992 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.473 HD11 ' HB3' ' A' ' 1' ' ' MET . 35.1 pt -66.63 162.27 52.4 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.215 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_exo -56.84 161.68 9.97 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.407 2.071 . . . . 0.0 111.945 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.402 ' CG ' ' HB3' ' A' ' 57' ' ' TYR . 4.2 tm-20 -68.36 -32.74 73.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.44 -179.741 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -88.95 -17.41 29.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.683 -179.57 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -79.76 -41.72 26.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.88 0.371 . . . . 0.0 110.367 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.636 ' HA ' HD12 ' A' ' 42' ' ' LEU . . . -59.84 -27.27 66.5 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.154 179.574 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -74.58 -46.16 40.54 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.155 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.4 mtp180 -62.57 -31.9 72.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.384 -179.692 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.636 HD12 ' HA ' ' A' ' 39' ' ' ALA . 86.2 mt -58.75 -40.84 85.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.217 -179.685 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -61.43 -18.16 57.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.471 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.8 mt -92.58 -50.13 12.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.833 0.349 . . . . 0.0 111.41 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.442 HG23 HG23 ' A' ' 46' ' ' THR . 3.4 m -64.25 -38.95 83.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.256 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.567 ' HB ' ' HB3' ' A' ' 49' ' ' ALA . 43.9 p -80.04 4.79 16.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.739 -179.735 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 65.29 31.19 10.78 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.981 0.42 . . . . 0.0 111.023 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.34 24.92 53.06 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.632 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.567 ' HB3' ' HB ' ' A' ' 46' ' ' THR . . . -66.9 -55.75 13.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.872 0.367 . . . . 0.0 111.023 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.418 ' CD1' HG21 ' A' ' 46' ' ' THR . 4.8 mp -91.07 132.17 36.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.812 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.5 mppt? -84.68 97.06 9.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.005 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.436 ' HA ' ' HE3' ' A' ' 1' ' ' MET . 21.5 t80 -60.82 133.68 56.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.625 179.669 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -136.52 111.12 8.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.053 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.36 -15.24 56.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.161 179.771 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 32.4 m-20 -50.61 -45.47 57.54 Favored 'General case' 0 C--O 1.223 -0.299 0 CA-C-O 120.706 0.289 . . . . 0.0 111.118 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -90.24 13.56 14.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.984 179.695 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.528 ' HE1' HG12 ' A' ' 33' ' ' VAL . 58.3 m-85 -133.18 25.32 4.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.896 0.379 . . . . 0.0 110.876 -179.831 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.235 0.341 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.722 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.487 ' SD ' HD22 ' A' ' 50' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.488 1.45 0 CA-C-O 120.863 0.364 . . . . 0.0 111.227 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.413 ' HA ' ' HA ' ' A' ' 33' ' ' VAL . 10.5 m-85 -84.42 141.11 31.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.938 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.95 -29.14 59.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.161 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.53 -26.81 63.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.196 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -83.8 -46.58 12.05 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.994 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.594 HG21 HG21 ' A' ' 34' ' ' ILE . 3.5 t -53.35 -55.41 12.99 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.409 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.403 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 42.4 mt -56.16 -27.38 23.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.1 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.28 -28.39 47.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.017 0.437 . . . . 0.0 110.487 179.714 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.665 ' NE2' HG22 ' A' ' 46' ' ' THR . 8.2 t60 -85.57 -30.03 23.66 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.662 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.665 ' CE2' HG13 ' A' ' 16' ' ' VAL . 55.2 m-85 -96.12 -28.49 14.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.103 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 88.59 -52.23 3.97 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.041 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.9 p -133.32 141.25 47.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.731 0.3 . . . . 0.0 110.534 179.577 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -50.47 -47.08 57.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.092 -179.773 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.2 ttp85 -47.13 -32.96 4.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.315 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.409 ' HB3' ' HB3' ' A' ' 10' ' ' PHE . . . -65.53 -50.96 63.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.057 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.665 HG13 ' CE2' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -59.84 -41.85 87.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.594 ' HB1' ' O ' ' A' ' 22' ' ' ILE . . . -57.81 -33.15 68.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.105 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.3 ttmm -78.76 -30.28 45.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.924 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.623 ' HB1' ' CB ' ' A' ' 45' ' ' VAL . . . -74.44 -48.17 29.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.101 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.677 HD21 ' HG ' ' A' ' 42' ' ' LEU . 6.5 mt -80.08 -33.11 39.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 98.33 27.94 8.37 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.508 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.594 ' O ' ' HB1' ' A' ' 17' ' ' ALA . 39.4 pt -113.78 179.89 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.87 0.367 . . . . 0.0 111.047 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 39.8 m -80.46 149.9 29.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 19.0 p-10 -60.23 -31.79 70.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.881 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.34 -42.32 98.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.098 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.66 -35.56 74.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.038 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.502 HG13 ' CZ3' ' A' ' 30' ' ' TRP . 39.7 t -66.52 -50.76 64.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.062 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.86 -30.9 71.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -67.43 -19.28 65.35 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.307 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.502 ' CZ3' HG13 ' A' ' 27' ' ' VAL . 33.7 m0 -52.04 148.82 5.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.741 0.305 . . . . 0.0 111.182 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.4 mttt -96.04 -163.9 1.1 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.3 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.406 ' O ' ' CD2' ' A' ' 2' ' ' TYR . 8.4 mt-10 -51.04 -29.14 11.9 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.935 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.413 ' HA ' ' HA ' ' A' ' 2' ' ' TYR . 19.7 t -126.9 136.66 60.17 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.408 0 CA-C-N 116.587 -0.279 . . . . 0.0 110.939 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.594 HG21 HG21 ' A' ' 6' ' ' VAL . 8.3 pt -70.49 152.51 95.4 Favored Pre-proline 0 C--N 1.331 -0.202 0 CA-C-O 120.846 0.355 . . . . 0.0 111.225 -179.807 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_exo -51.78 -175.96 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.684 2.256 . . . . 0.0 112.461 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.52 -49.41 7.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.207 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 43.8 mttp -71.35 -20.62 62.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.479 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -79.64 -46.41 17.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.88 0.372 . . . . 0.0 110.306 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.849 ' HA ' HD12 ' A' ' 42' ' ' LEU . . . -61.49 -25.72 67.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.898 179.543 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 80.2 t80 -70.54 -59.46 2.83 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.059 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.78 -29.53 70.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.224 -179.737 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.849 HD12 ' HA ' ' A' ' 39' ' ' ALA . 17.7 mt -55.14 -37.77 67.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.324 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -66.56 -23.38 66.2 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.31 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.8 mt -85.83 -49.04 15.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.787 0.327 . . . . 0.0 111.504 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.623 ' CB ' ' HB1' ' A' ' 19' ' ' ALA . 2.8 m -61.09 -37.54 77.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.403 -179.729 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.665 HG22 ' NE2' ' A' ' 9' ' ' HIS . 55.0 p -79.98 7.66 8.54 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.876 -179.651 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 65.73 30.41 10.24 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.847 0.356 . . . . 0.0 111.018 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 79.39 8.98 87.4 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.891 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.407 ' HB3' ' HB ' ' A' ' 46' ' ' THR . . . -63.74 -38.75 92.29 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.816 0.341 . . . . 0.0 110.837 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.487 HD22 ' SD ' ' A' ' 1' ' ' MET . 14.3 mt -106.78 121.9 45.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.736 179.767 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.0 135.05 36.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.916 -179.665 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -92.76 128.14 38.51 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.675 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 68.1 mm-40 -118.91 108.11 14.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.776 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -79.15 3.66 16.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.554 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 67.0 m-20 -53.28 -70.44 0.09 Allowed 'General case' 0 C--O 1.225 -0.189 0 CA-C-O 120.647 0.26 . . . . 0.0 110.847 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.0 -16.92 62.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.178 179.581 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -94.21 19.79 8.9 Favored 'General case' 0 CA--C 1.528 0.112 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.3 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.33 -0.276 0 CA-C-O 120.845 0.355 . . . . 0.0 110.855 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.578 ' CG ' HD11 ' A' ' 34' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.922 0.392 . . . . 0.0 111.166 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.418 ' CE2' ' HG2' ' A' ' 32' ' ' GLU . 3.0 m-85 -82.71 159.34 22.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.882 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.79 -33.98 77.11 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.939 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -51.56 -45.49 63.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.225 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -60.81 -52.72 63.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.741 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.531 HG21 HG21 ' A' ' 34' ' ' ILE . 2.9 t -56.65 -49.52 77.65 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.961 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 35.3 mm -59.45 -30.85 45.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.061 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.26 -25.05 51.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.553 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.419 ' CE1' HG22 ' A' ' 46' ' ' THR . 25.5 t-80 -84.35 -31.6 24.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.57 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.474 ' CE2' HG13 ' A' ' 16' ' ' VAL . 46.0 m-85 -94.2 -41.03 9.7 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.076 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 96.15 -33.2 5.76 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.332 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.7 p -146.57 147.77 31.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.841 0.353 . . . . 0.0 110.673 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -56.9 -50.89 71.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.007 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.7 mtm105 -44.35 -42.55 6.9 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.426 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.33 -50.91 72.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.901 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.474 HG13 ' CE2' ' A' ' 10' ' ' PHE . 1.1 t -57.7 -46.91 86.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.209 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.09 -40.19 76.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.158 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.19 -28.43 63.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.689 ' HB1' ' CG1' ' A' ' 45' ' ' VAL . . . -75.08 -53.12 9.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.131 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.65 HD22 ' HB2' ' A' ' 41' ' ' ARG . 9.7 mt -79.87 -34.47 39.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.849 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 89.54 48.33 3.74 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.418 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.2 pt -111.73 -96.41 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.506 0.193 . . . . 0.0 111.042 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.6 m -175.87 154.75 1.55 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.799 0.333 . . . . 0.0 110.804 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.01 -19.56 44.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.093 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.34 -45.68 15.8 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.777 0.322 . . . . 0.0 111.146 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.4 ' O ' ' CD1' ' A' ' 30' ' ' TRP . . . -57.94 -44.55 87.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.124 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 46.4 t -65.07 -43.8 95.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.035 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.53 -29.44 67.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.955 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -80.81 -11.19 59.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.467 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.4 ' CD1' ' O ' ' A' ' 26' ' ' ALA . 24.2 m0 -53.97 127.78 27.71 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.882 0.372 . . . . 0.0 111.093 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.5 mttm -83.29 -166.68 1.43 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.027 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.418 ' HG2' ' CE2' ' A' ' 2' ' ' TYR . 0.2 OUTLIER -49.31 -28.04 4.48 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.696 0.284 . . . . 0.0 111.056 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.491 HG12 ' HE1' ' A' ' 57' ' ' TYR . 13.3 t -127.89 133.32 67.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.069 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.578 HD11 ' CG ' ' A' ' 1' ' ' MET . 29.8 pt -68.72 151.71 97.1 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.35 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -52.57 163.61 1.76 Allowed 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.505 2.137 . . . . 0.0 112.281 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -68.4 -44.73 74.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.171 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.1 mtpp -76.65 -19.29 57.93 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.433 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -79.72 -45.24 19.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.909 0.385 . . . . 0.0 110.384 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.5 ' HA ' HD12 ' A' ' 34' ' ' ILE . . . -61.46 -25.94 67.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.055 179.61 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 44.5 t80 -69.83 -55.18 10.5 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.912 0.387 . . . . 0.0 111.127 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.65 ' HB2' HD22 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -57.76 -28.21 63.75 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.342 -179.748 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.646 HD13 HD13 ' A' ' 50' ' ' LEU . 23.7 mt -50.43 -48.31 56.34 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.915 0.388 . . . . 0.0 111.3 -179.741 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -59.22 -20.03 50.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.375 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.7 mt -91.19 -48.44 13.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.796 0.332 . . . . 0.0 111.499 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.689 ' CG1' ' HB1' ' A' ' 19' ' ' ALA . 5.1 m -67.32 -40.56 85.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.391 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.622 ' HB ' ' HB3' ' A' ' 49' ' ' ALA . 38.6 p -79.77 2.2 23.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.667 -179.721 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 66.33 30.94 8.69 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.87 0.367 . . . . 0.0 110.996 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 83.22 26.38 44.28 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.699 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.622 ' HB3' ' HB ' ' A' ' 46' ' ' THR . . . -85.06 -38.57 19.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.882 0.372 . . . . 0.0 110.974 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.646 HD13 HD13 ' A' ' 42' ' ' LEU . 36.8 mt -99.03 124.07 43.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.851 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.2 tptt -79.91 121.53 25.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.954 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 13.6 t80 -93.48 127.4 39.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.693 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -130.75 117.05 18.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.801 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -71.95 -5.52 35.38 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.664 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 34.0 m-20 -47.37 -67.93 0.23 Allowed 'General case' 0 C--O 1.227 -0.115 0 CA-C-O 120.659 0.266 . . . . 0.0 111.183 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.11 -14.9 63.35 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.866 179.669 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.491 ' HE1' HG12 ' A' ' 33' ' ' VAL . 27.8 m-85 -99.65 24.87 7.73 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.855 0.36 . . . . 0.0 111.189 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.7 mtt85 . . . . . 0 C--O 1.233 0.229 0 CA-C-O 120.93 0.395 . . . . 0.0 110.702 -179.969 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.711 ' HG3' HD22 ' A' ' 50' ' ' LEU . 12.1 ttm . . . . . 0 N--CA 1.485 1.322 0 CA-C-O 120.817 0.342 . . . . 0.0 111.278 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.516 ' O ' HG23 ' A' ' 6' ' ' VAL . 3.1 m-85 -89.88 149.96 22.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.022 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.8 ttpm? -64.37 -36.25 83.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.3 tppt? -57.8 -42.06 83.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.996 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -63.45 -50.52 69.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.084 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 2' ' ' TYR . 2.9 t -56.07 -47.72 79.99 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.422 0 CA-C-O 120.92 0.39 . . . . 0.0 111.264 -179.773 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 80.5 mt -63.64 -35.15 71.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.164 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.34 -24.47 50.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.581 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 24.2 t-80 -83.44 -25.21 31.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.732 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.457 ' CE2' ' HA ' ' A' ' 16' ' ' VAL . 3.8 m-85 -95.74 -48.64 5.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.957 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 123.45 -28.14 5.59 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.397 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.2 p -150.71 -179.08 6.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.816 0.341 . . . . 0.0 110.784 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -86.32 -53.04 5.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.823 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.75 -28.99 52.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.967 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.401 ' HA ' ' CD ' ' A' ' 18' ' ' LYS . . . -63.63 -45.36 90.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.968 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.457 ' HA ' ' CE2' ' A' ' 10' ' ' PHE . 1.0 OUTLIER -59.51 -29.36 42.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.247 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.815 ' HB1' ' O ' ' A' ' 22' ' ' ILE . . . -74.54 -24.53 58.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.547 -179.804 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.401 ' CD ' ' HA ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -90.3 20.75 4.22 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.573 -179.844 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 1.016 ' HB1' HG21 ' A' ' 45' ' ' VAL . . . -120.7 -42.7 2.51 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.857 0.361 . . . . 0.0 111.031 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.559 HD21 ' HG ' ' A' ' 42' ' ' LEU . 3.0 mt -93.67 -29.89 15.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 109.04 35.1 2.41 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.5 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.815 ' O ' ' HB1' ' A' ' 17' ' ' ALA . 27.3 pt -123.03 -177.97 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.828 0.347 . . . . 0.0 111.114 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.419 ' O ' HG23 ' A' ' 27' ' ' VAL . 22.4 m -99.49 176.93 5.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.939 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -69.39 -29.15 66.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.964 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.37 -48.2 76.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.13 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.93 -31.2 68.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.224 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 23' ' ' SER . 45.9 t -74.86 -44.49 45.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.097 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.07 -29.8 68.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -73.61 -19.59 60.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.451 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.556 ' CD2' HG22 ' A' ' 34' ' ' ILE . 34.8 m0 -52.72 136.53 33.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.951 0.405 . . . . 0.0 111.194 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.8 mttm -86.97 -167.06 1.75 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.599 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -49.09 -29.23 4.93 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.746 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 33.5 t -130.82 116.15 33.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.738 179.705 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.556 HG22 ' CD2' ' A' ' 30' ' ' TRP . 12.5 pt -52.32 160.11 1.37 Allowed Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.361 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -49.38 176.44 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.679 2.253 . . . . 0.0 112.571 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -83.23 -31.65 26.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.007 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.36 -21.86 22.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.369 -179.834 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -79.9 -41.43 26.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.892 0.377 . . . . 0.0 110.792 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.547 ' HB2' HG13 ' A' ' 34' ' ' ILE . . . -69.08 -25.72 64.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.971 179.672 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 92.0 t80 -68.72 -59.96 2.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.961 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.416 ' HB2' HD22 ' A' ' 20' ' ' LEU . 28.7 mtt180 -56.36 -28.87 60.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.05 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.559 ' HG ' HD21 ' A' ' 20' ' ' LEU . 11.9 mt -58.3 -46.27 86.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.005 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -53.34 -28.98 31.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.171 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.0 mt -88.2 -44.18 15.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.916 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 1.016 HG21 ' HB1' ' A' ' 19' ' ' ALA . 0.3 OUTLIER -62.89 -38.93 83.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.108 179.931 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.605 ' HB ' ' HB3' ' A' ' 49' ' ' ALA . 36.4 p -79.63 2.18 23.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.765 -179.652 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.434 ' HB3' ' O ' ' A' ' 46' ' ' THR . . . 68.71 39.62 1.96 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.954 0.407 . . . . 0.0 111.271 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 71.94 25.4 74.88 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.653 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.605 ' HB3' ' HB ' ' A' ' 46' ' ' THR . . . -74.45 -50.83 16.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.887 0.375 . . . . 0.0 111.03 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.711 HD22 ' HG3' ' A' ' 1' ' ' MET . 2.8 mt -90.9 148.12 22.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.819 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.52 123.65 47.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.938 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.498 ' CE1' ' CD2' ' A' ' 57' ' ' TYR . 14.7 t80 -80.28 130.52 35.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.028 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -126.75 106.31 9.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -59.54 -20.93 59.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.195 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 33.0 m120 -52.23 -28.1 17.32 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.163 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -97.44 -25.75 15.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.191 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.498 ' CD2' ' CE1' ' A' ' 52' ' ' TYR . 24.3 m-85 -98.41 29.51 3.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.975 -179.697 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.3 ptt180 . . . . . 0 CA--C 1.534 0.328 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.869 -179.691 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.6 mtm . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.774 0.321 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.553 ' O ' HG23 ' A' ' 6' ' ' VAL . 3.7 m-85 -92.79 147.12 23.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.869 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 19.6 tttm -56.98 -30.61 64.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -71.04 -41.88 70.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.956 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -61.74 -52.38 64.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.131 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 2' ' ' TYR . 3.2 t -55.06 -47.52 76.97 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.341 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 98.3 mt -64.35 -32.66 58.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.107 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.55 -27.74 51.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.491 179.776 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 15.1 t-80 -84.73 -26.49 27.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.812 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.73 ' CE2' HG13 ' A' ' 16' ' ' VAL . 3.5 m-85 -92.47 -49.87 5.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.965 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.467 ' O ' HG23 ' A' ' 12' ' ' THR . . . 118.01 -27.75 7.29 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.425 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.467 HG23 ' O ' ' A' ' 11' ' ' GLY . 0.9 OUTLIER -159.69 159.22 32.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.748 0.308 . . . . 0.0 110.823 179.881 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.408 ' O ' HG23 ' A' ' 16' ' ' VAL . 3.5 pt20 -66.92 -42.18 85.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.921 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.2 ttm180 -58.54 -29.52 66.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.997 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.71 -37.92 82.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.143 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.73 HG13 ' CE2' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -75.62 -34.1 28.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.872 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.752 ' HB1' ' O ' ' A' ' 22' ' ' ILE . . . -62.85 -28.78 70.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.139 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.7 -30.78 21.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.009 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.937 ' HB1' HG21 ' A' ' 45' ' ' VAL . . . -66.96 -53.46 31.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.167 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.4 mt -79.98 -32.46 39.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.935 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 105.5 27.13 5.9 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.49 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.752 ' O ' ' HB1' ' A' ' 17' ' ' ALA . 32.7 pt -114.22 -179.2 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.771 0.32 . . . . 0.0 111.119 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 72.5 m -92.25 163.46 13.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -59.35 -30.9 68.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.26 -47.35 84.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.072 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.412 ' HB3' HD12 ' A' ' 22' ' ' ILE . . . -58.68 -36.9 74.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.104 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.425 HG13 ' CZ3' ' A' ' 30' ' ' TRP . 48.3 t -70.06 -43.44 79.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.99 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.2 p -70.91 -31.39 67.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.872 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.42 -17.45 63.01 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.528 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.437 ' CD1' ' HD3' ' A' ' 35' ' ' PRO . 24.4 m0 -52.35 150.28 4.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.083 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 27.7 mtpt -110.25 -163.52 0.86 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.648 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -49.5 -27.7 4.6 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.014 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.8 t -134.65 115.26 19.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.966 179.766 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.728 ' CD1' HD12 ' A' ' 42' ' ' LEU . 31.3 pt -56.18 160.68 4.56 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.077 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.437 ' HD3' ' CD1' ' A' ' 30' ' ' TRP . 76.5 Cg_exo -48.54 168.74 0.1 OUTLIER 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.425 2.083 . . . . 0.0 112.599 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -72.86 -44.89 60.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.274 -179.66 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.16 -13.87 58.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.648 -179.62 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -79.92 -48.87 12.73 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.774 0.321 . . . . 0.0 110.844 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.515 ' HB2' HG13 ' A' ' 34' ' ' ILE . . . -62.97 -28.07 69.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.939 179.71 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 91.3 t80 -62.84 -56.09 20.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.936 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 37.2 mtt85 -62.27 -31.05 71.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.02 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.728 HD12 ' CD1' ' A' ' 34' ' ' ILE . 12.5 mt -57.23 -48.27 79.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.131 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -52.54 -29.42 25.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.384 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.8 mt -86.65 -44.88 16.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.913 0.387 . . . . 0.0 111.118 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.937 HG21 ' HB1' ' A' ' 19' ' ' ALA . 0.3 OUTLIER -62.73 -38.8 82.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.222 -179.916 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.556 ' HB ' ' HB3' ' A' ' 49' ' ' ALA . 25.4 p -79.61 3.23 19.63 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.825 -179.635 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.455 ' HB3' ' O ' ' A' ' 46' ' ' THR . . . 69.76 29.38 4.13 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.8 0.334 . . . . 0.0 111.312 179.774 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.6 22.18 54.3 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.893 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.556 ' HB3' ' HB ' ' A' ' 46' ' ' THR . . . -66.05 -63.54 1.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.856 0.36 . . . . 0.0 110.988 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.6 mt -96.31 122.49 39.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.756 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.96 145.3 32.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.944 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -73.85 153.08 40.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.012 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.411 ' O ' ' CD2' ' A' ' 57' ' ' TYR . 63.4 mt-30 -142.76 92.88 2.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -57.34 -19.8 24.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.478 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 63.7 m-80 -46.48 -75.0 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.548 -0.297 . . . . 0.0 111.556 -179.601 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -55.63 -28.99 58.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.882 0.372 . . . . 0.0 111.596 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.411 ' CD2' ' O ' ' A' ' 53' ' ' GLN . 24.5 m-85 -80.22 -12.76 59.6 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.617 -179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? . . . . . 0 C--N 1.328 -0.343 0 CA-C-O 121.05 0.453 . . . . 0.0 111.101 179.803 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.434 ' CG ' HD11 ' A' ' 34' ' ' ILE . 2.0 ptt? . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.851 0.358 . . . . 0.0 111.144 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -88.15 159.22 18.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.97 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.811 ' NZ ' HD11 ' A' ' 7' ' ' ILE . 5.2 tttm -69.51 -30.48 68.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.919 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.2 tttm -62.57 -41.03 98.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.992 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -61.43 -47.7 84.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.049 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.588 HG13 HD22 ' A' ' 42' ' ' LEU . 2.7 t -57.23 -43.35 81.7 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.425 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.307 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.811 HD11 ' NZ ' ' A' ' 3' ' ' LYS . 60.6 mt -70.96 -35.18 58.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.131 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.37 -23.3 54.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.577 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.453 ' NE2' HG22 ' A' ' 46' ' ' THR . 6.2 t60 -84.07 -28.38 27.62 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.775 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.462 ' CE2' ' HA ' ' A' ' 16' ' ' VAL . 3.6 m-85 -93.21 -48.86 6.26 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.95 -179.686 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 108.58 -28.38 11.68 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.414 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.1 p -140.15 162.3 35.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.803 0.335 . . . . 0.0 110.949 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -77.75 -52.82 8.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.844 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -51.15 -30.57 16.99 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.054 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.07 -48.18 74.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.941 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.462 ' HA ' ' CE2' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -60.22 -33.87 55.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.854 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.854 ' HB1' ' O ' ' A' ' 22' ' ' ILE . . . -77.87 -27.26 49.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.181 -179.818 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.5 ttmt -80.95 -28.8 35.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.047 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.92 -51.69 30.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.191 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 14.9 mt -79.95 -34.05 39.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.052 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 109.72 24.57 5.77 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.601 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.854 ' O ' ' HB1' ' A' ' 17' ' ' ALA . 28.6 pt -112.32 -177.1 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.734 0.302 . . . . 0.0 111.086 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 57.6 p -95.1 158.81 15.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.791 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -58.07 -29.96 65.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.972 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.74 -44.23 96.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.174 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.36 -44.8 92.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.093 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.461 HG13 ' CZ3' ' A' ' 30' ' ' TRP . 58.8 t -61.63 -41.34 89.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.123 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.3 p -67.42 -29.02 68.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.844 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -70.34 -21.06 62.94 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.268 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.461 ' CZ3' HG13 ' A' ' 27' ' ' VAL . 32.8 m0 -52.35 137.85 28.17 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.149 0.499 . . . . 0.0 111.279 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.5 pttt -93.32 -166.92 1.61 Allowed 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.997 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -49.18 -28.13 4.2 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-O 120.86 0.362 . . . . 0.0 111.21 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.563 HG12 ' OH ' ' A' ' 57' ' ' TYR . 14.5 t -128.42 119.93 51.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.792 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.454 HG21 HG21 ' A' ' 6' ' ' VAL . 5.5 pt -60.22 156.12 41.61 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.35 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -53.33 -179.9 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.633 2.222 . . . . 0.0 112.289 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -81.45 -52.35 7.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.841 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 42.5 mtpt -67.06 -20.11 65.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.229 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -79.55 -49.07 12.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.926 0.393 . . . . 0.0 110.075 179.574 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.541 ' HA ' HD12 ' A' ' 42' ' ' LEU . . . -58.72 -29.01 66.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.886 179.429 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 45.4 t80 -78.4 -53.14 7.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.953 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 56.7 mtt-85 -66.06 -21.79 66.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.259 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.588 HD22 HG13 ' A' ' 6' ' ' VAL . 14.1 mt -67.28 -30.49 70.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.283 -179.6 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -62.62 -51.17 68.35 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.873 0.368 . . . . 0.0 110.631 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.649 ' H ' HD12 ' A' ' 44' ' ' ILE . 3.6 mp -60.4 -46.87 94.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.008 -0.542 . . . . 0.0 112.244 -179.625 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.453 HG22 ' HA ' ' A' ' 42' ' ' LEU . 14.6 m -59.11 -42.49 86.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.814 0.34 . . . . 0.0 111.534 -179.349 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.776 HG21 HD12 ' A' ' 50' ' ' LEU . 40.1 p -83.43 39.06 0.64 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.845 -179.379 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 49.26 27.22 1.79 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.705 0.288 . . . . 0.0 111.668 179.574 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 76.8 3.26 79.42 Favored Glycine 0 CA--C 1.519 0.322 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.95 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.35 -48.65 80.35 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.889 0.376 . . . . 0.0 111.133 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.776 HD12 HG21 ' A' ' 46' ' ' THR . 29.1 mt -79.94 113.48 18.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.687 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.93 125.02 29.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.018 -179.793 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.43 ' CZ ' ' HG2' ' A' ' 54' ' ' GLU . 10.9 t80 -81.82 127.89 33.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.72 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -121.49 127.46 51.07 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.585 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.43 ' HG2' ' CZ ' ' A' ' 52' ' ' TYR . 33.2 mt-10 -88.29 24.04 2.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.611 -179.67 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.8 p-10 -60.68 -52.83 63.47 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 120.928 0.394 . . . . 0.0 110.225 179.72 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -96.26 14.72 23.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.455 179.013 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.563 ' OH ' HG12 ' A' ' 33' ' ' VAL . 11.4 m-85 -132.21 27.42 4.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.719 -179.634 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 . . . . . 0 C--O 1.236 0.345 0 CA-C-O 121.002 0.429 . . . . 0.0 110.737 -179.547 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.48 ' HB3' HD11 ' A' ' 34' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.314 0 CA-C-O 120.818 0.342 . . . . 0.0 111.236 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.428 ' O ' HG23 ' A' ' 6' ' ' VAL . 3.3 m-85 -96.31 146.58 24.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.76 ' HE2' HD11 ' A' ' 7' ' ' ILE . 9.4 tttt -57.99 -29.45 65.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.048 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.4 ttpm? -61.92 -47.24 85.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.023 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -60.68 -51.38 69.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.91 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 2' ' ' TYR . 3.2 t -53.46 -51.67 39.58 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.354 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.76 HD11 ' HE2' ' A' ' 3' ' ' LYS . 54.1 mt -59.24 -26.96 35.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.184 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.77 -28.38 55.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.912 0.387 . . . . 0.0 110.362 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.47 ' CE1' ' HB ' ' A' ' 46' ' ' THR . 24.1 t60 -86.05 -31.46 21.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.678 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.688 ' CE2' HG13 ' A' ' 16' ' ' VAL . 42.7 m-85 -92.69 -29.45 16.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.094 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 90.56 -49.35 3.15 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.262 -179.685 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -132.86 140.06 47.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.842 0.353 . . . . 0.0 110.63 179.742 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -49.01 -51.89 28.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.268 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.42 -36.55 10.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.342 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.02 -51.02 71.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.923 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.688 HG13 ' CE2' ' A' ' 10' ' ' PHE . 0.6 OUTLIER -54.58 -31.68 23.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.156 179.868 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.765 ' HB1' ' O ' ' A' ' 22' ' ' ILE . . . -64.94 -26.08 68.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.359 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.0 mttm -76.12 -52.25 10.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.935 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.682 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . -59.28 -39.01 81.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.05 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.99 -30.8 19.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.012 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 86.86 28.47 26.09 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.557 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.765 ' O ' ' HB1' ' A' ' 17' ' ' ALA . 24.9 pt -111.55 -179.17 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.839 0.352 . . . . 0.0 111.066 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 28.9 t -87.06 160.56 18.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -61.52 -31.61 71.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.33 -44.12 84.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.188 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.68 -30.24 65.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.216 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.469 HG13 ' CZ3' ' A' ' 30' ' ' TRP . 27.4 t -75.48 -56.71 7.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.193 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.98 -26.62 62.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.025 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -75.19 -17.03 60.45 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-O 121.031 0.443 . . . . 0.0 111.684 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.469 ' CZ3' HG13 ' A' ' 27' ' ' VAL . 32.4 m0 -53.56 129.68 33.44 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.911 0.386 . . . . 0.0 111.065 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.8 pttt -80.12 -168.34 1.62 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.628 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -47.94 -30.73 4.48 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.093 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.488 HG11 ' HB1' ' A' ' 56' ' ' ALA . 27.6 t -128.34 116.84 43.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.043 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.587 ' CD1' ' HB2' ' A' ' 39' ' ' ALA . 10.7 pt -51.97 161.1 1.0 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.36 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.419 ' HD3' ' CD1' ' A' ' 30' ' ' TRP . 52.1 Cg_exo -53.14 164.1 1.93 Allowed 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.623 2.215 . . . . 0.0 112.538 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.457 ' HG2' ' OH ' ' A' ' 52' ' ' TYR . 1.1 tm-20 -72.68 -35.84 67.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.096 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.2 mmtp -87.75 -19.33 27.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.53 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -79.86 -43.93 21.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.825 0.345 . . . . 0.0 110.668 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.587 ' HB2' ' CD1' ' A' ' 34' ' ' ILE . . . -64.97 -26.65 68.39 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.937 179.706 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -72.0 -37.19 69.86 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.973 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.4 ' O ' HG22 ' A' ' 45' ' ' VAL . 27.3 mtp180 -78.0 -29.0 49.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.031 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.598 ' O ' HG23 ' A' ' 46' ' ' THR . 53.8 mt -66.2 -32.6 74.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.173 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -66.96 -22.63 65.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.314 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.8 mt -88.56 -51.98 11.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.825 0.345 . . . . 0.0 111.319 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.682 HG11 ' HB1' ' A' ' 19' ' ' ALA . 6.4 m -59.91 -39.5 80.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.458 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.598 HG23 ' O ' ' A' ' 42' ' ' LEU . 30.7 p -79.75 12.78 2.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.011 -0.54 . . . . 0.0 112.121 -179.375 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 61.32 30.71 19.22 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.819 0.342 . . . . 0.0 111.122 179.771 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 72.76 22.28 79.15 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.696 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.34 -32.41 70.06 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.89 0.376 . . . . 0.0 110.819 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.5 mt -116.95 126.42 52.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.588 179.728 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 7.8 tttt -79.92 113.11 17.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.038 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.502 ' CZ ' ' CD2' ' A' ' 57' ' ' TYR . 14.4 t80 -61.15 118.57 6.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -106.25 112.53 25.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.973 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -62.04 -17.89 58.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.353 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 18.6 m-20 -48.92 -38.32 22.48 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 120.815 0.341 . . . . 0.0 111.131 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.488 ' HB1' HG11 ' A' ' 33' ' ' VAL . . . -98.23 17.64 18.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.3 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.502 ' CD2' ' CZ ' ' A' ' 52' ' ' TYR . 28.3 m-85 -146.45 29.59 1.04 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.05 0.453 . . . . 0.0 110.913 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.935 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.658 ' HG2' HD13 ' A' ' 50' ' ' LEU . 1.4 mtm . . . . . 0 N--CA 1.485 1.3 0 CA-C-O 120.851 0.358 . . . . 0.0 111.151 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.559 ' O ' HG23 ' A' ' 6' ' ' VAL . 3.3 m-85 -93.46 143.7 26.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 18.5 tttt -58.22 -44.22 88.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.955 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.96 -35.74 35.11 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.222 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 -75.18 -53.37 8.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.817 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.559 HG23 ' O ' ' A' ' 2' ' ' TYR . 3.6 t -53.74 -49.61 56.42 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.171 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.434 HD12 ' OE1' ' A' ' 13' ' ' GLN . 40.0 mm -59.12 -33.08 49.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.083 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.2 -24.98 54.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.664 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.53 ' CE1' HG22 ' A' ' 46' ' ' THR . 12.4 t-80 -82.65 -31.53 28.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.331 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.54 ' CE2' HG13 ' A' ' 16' ' ' VAL . 37.9 m-85 -94.36 -30.29 14.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.254 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 92.03 -48.72 2.73 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.715 -0.755 . . . . 0.0 111.998 -179.563 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.4 p -124.09 -179.36 4.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.821 0.343 . . . . 0.0 110.44 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.434 ' OE1' HD12 ' A' ' 7' ' ' ILE . 3.9 mm100 -86.9 -55.66 3.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.929 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -48.63 -29.78 4.71 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.217 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.76 -52.01 62.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.995 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.54 HG13 ' CE2' ' A' ' 10' ' ' PHE . 1.3 t -54.81 -45.59 74.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.089 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.88 ' HB1' ' O ' ' A' ' 22' ' ' ILE . . . -66.66 -30.95 71.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.077 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.18 -30.36 69.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.943 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.436 ' O ' HG11 ' A' ' 45' ' ' VAL . . . -89.72 -38.63 13.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.154 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.01 -27.91 39.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.989 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 99.35 -11.33 61.65 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.742 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.88 ' O ' ' HB1' ' A' ' 17' ' ' ALA . 41.5 pt -79.87 -179.23 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.796 0.331 . . . . 0.0 111.249 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.6 m -95.53 164.36 12.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.978 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -60.19 -31.1 69.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.963 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.39 -47.66 84.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.128 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.79 -39.48 85.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.06 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.472 HG22 HD11 ' A' ' 22' ' ' ILE . 45.1 t -70.13 -44.54 78.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.162 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 35.4 t -67.85 -30.64 70.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.946 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -75.18 -12.14 60.23 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.551 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.729 ' CD2' HG22 ' A' ' 34' ' ' ILE . 29.5 m0 -55.17 170.98 0.17 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.87 0.367 . . . . 0.0 110.983 -179.828 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.7 mmmp? -134.22 -163.8 1.42 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.384 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -47.99 -28.91 3.02 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.091 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 26.6 t -134.96 112.46 14.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.106 179.646 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.729 HG22 ' CD2' ' A' ' 30' ' ' TRP . 8.6 pt -56.3 152.81 21.72 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.108 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.457 ' HG2' ' HB2' ' A' ' 38' ' ' ASP . 3.4 Cg_endo -49.27 179.56 0.02 OUTLIER 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.527 2.151 . . . . 0.0 112.049 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -76.57 -65.74 0.9 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.26 -0.427 . . . . 0.0 112.03 -179.154 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.7 pttm -54.31 -24.38 18.93 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 -178.744 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.457 ' HB2' ' HG2' ' A' ' 35' ' ' PRO . 55.8 m-20 -79.67 -49.66 11.79 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.934 0.397 . . . . 0.0 110.197 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.429 ' HA ' HD12 ' A' ' 34' ' ' ILE . . . -59.75 -26.32 65.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.813 179.307 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 91.6 t80 -73.72 -57.07 4.24 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.864 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.6 mtp85 -64.01 -29.69 70.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.079 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.54 HD12 ' CD1' ' A' ' 34' ' ' ILE . 6.1 mt -57.95 -38.1 75.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.087 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -63.33 -17.29 62.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.318 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.8 mt -91.1 -49.86 13.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.774 0.321 . . . . 0.0 111.481 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.436 HG11 ' O ' ' A' ' 19' ' ' ALA . 2.4 m -61.03 -37.62 77.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.287 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.53 HG22 ' CE1' ' A' ' 9' ' ' HIS . 77.2 p -79.93 4.42 16.86 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.699 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.413 ' HB3' ' O ' ' A' ' 46' ' ' THR . . . 67.3 32.02 6.19 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 120.844 0.354 . . . . 0.0 110.854 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 78.63 24.93 61.64 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.511 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.418 ' HB3' ' HB ' ' A' ' 46' ' ' THR . . . -60.1 -54.71 42.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.86 0.362 . . . . 0.0 110.998 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.658 HD13 ' HG2' ' A' ' 1' ' ' MET . 5.6 mt -90.65 163.11 14.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.792 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.8 ttmt -116.78 110.88 18.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.954 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.531 ' CZ ' ' CD2' ' A' ' 57' ' ' TYR . 20.9 t80 -61.17 137.05 58.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.963 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -128.38 109.78 11.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.04 -33.17 50.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.238 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.26 -22.87 32.64 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.863 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.409 ' O ' ' CD1' ' A' ' 57' ' ' TYR . . . -102.29 16.4 26.3 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.68 0.276 . . . . 0.0 111.518 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.531 ' CD2' ' CZ ' ' A' ' 52' ' ' TYR . 29.4 m-85 -153.07 28.74 0.51 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.945 0.402 . . . . 0.0 110.863 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.1 tpt180 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.122 179.592 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.319 0 CA-C-O 120.797 0.332 . . . . 0.0 111.246 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -88.93 145.5 25.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.834 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.33 -32.63 68.7 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.022 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.9 tptm -64.6 -30.47 71.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.926 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -73.35 -47.81 39.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.94 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.562 HG21 HG21 ' A' ' 34' ' ' ILE . 2.9 t -56.79 -46.55 83.38 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.424 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.084 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 81.9 mt -63.7 -37.35 79.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.118 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.64 -23.66 56.33 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.373 179.583 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.67 ' CE1' HG22 ' A' ' 46' ' ' THR . 7.5 t-80 -82.75 -27.48 31.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.575 179.702 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.454 ' CE2' ' HA ' ' A' ' 16' ' ' VAL . 3.2 m-85 -96.04 -47.65 6.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.974 -179.732 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 115.34 -30.41 6.75 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.441 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 72.9 p -143.21 179.78 6.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.865 0.364 . . . . 0.0 110.816 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 -89.98 -53.03 4.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.006 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 38.2 ttt180 -51.66 -30.33 21.33 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.233 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.16 -47.82 78.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.946 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.454 ' HA ' ' CE2' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -61.45 -36.87 75.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.967 -179.935 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.853 ' HB1' ' O ' ' A' ' 22' ' ' ILE . . . -69.43 -32.11 70.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.11 -29.1 54.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.966 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 1.004 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . -68.94 -52.81 25.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.289 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.549 HD13 ' OD1' ' A' ' 38' ' ' ASP . 2.9 mt -79.89 -33.12 40.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.036 -179.803 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 107.89 26.64 5.46 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.513 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.853 ' O ' ' HB1' ' A' ' 17' ' ' ALA . 41.1 pt -113.54 -178.62 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.793 0.33 . . . . 0.0 111.083 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.3 m -93.97 164.13 13.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.856 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 19.6 p-10 -59.46 -31.68 69.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.49 -40.63 97.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.089 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.558 ' HB3' HD12 ' A' ' 22' ' ' ILE . . . -61.89 -37.37 84.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.019 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.474 HG13 ' CZ3' ' A' ' 30' ' ' TRP . 33.8 t -67.04 -51.88 49.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.135 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.8 t -66.23 -32.16 73.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.955 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -65.09 -22.71 66.99 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.305 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.474 ' CZ3' HG13 ' A' ' 27' ' ' VAL . 47.6 m0 -54.35 163.09 0.92 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.173 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.54 -163.5 0.86 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.951 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -49.86 -33.8 18.08 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.826 0.346 . . . . 0.0 110.989 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 24.5 t -123.06 122.32 65.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.786 0.327 . . . . 0.0 110.97 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.603 HD12 ' HA ' ' A' ' 39' ' ' ALA . 12.6 pt -54.98 151.49 16.0 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.278 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -50.62 156.88 3.92 Favored 'Trans proline' 0 C--N 1.343 0.266 0 C-N-CA 122.727 2.285 . . . . 0.0 112.37 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -65.86 -28.92 69.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.277 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 47.6 mttt -89.99 -24.87 21.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.592 -179.604 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.549 ' OD1' HD13 ' A' ' 20' ' ' LEU . 4.3 m-20 -79.77 -37.2 35.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.847 0.355 . . . . 0.0 110.735 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.603 ' HA ' HD12 ' A' ' 34' ' ' ILE . . . -68.28 -25.53 65.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.517 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -70.41 -56.71 5.98 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.934 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.72 -28.95 67.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.112 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.603 HD12 ' HA ' ' A' ' 39' ' ' ALA . 12.8 mt -56.06 -39.86 72.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.081 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -58.85 -20.36 50.11 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.412 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.8 mt -88.93 -50.79 13.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.86 0.362 . . . . 0.0 111.439 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 1.004 HG11 ' HB1' ' A' ' 19' ' ' ALA . 2.7 m -63.3 -37.53 79.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.628 -179.605 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.67 HG22 ' CE1' ' A' ' 9' ' ' HIS . 76.8 p -81.53 11.58 4.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.984 -179.448 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 62.9 28.53 16.39 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.832 0.348 . . . . 0.0 111.27 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 77.32 20.75 74.48 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.811 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.15 -43.93 66.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.901 0.381 . . . . 0.0 110.904 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.431 HD12 HG21 ' A' ' 46' ' ' THR . 58.5 mt -91.87 113.36 25.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.704 179.652 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.96 125.64 30.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.982 -179.784 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.427 ' CE1' ' CD2' ' A' ' 57' ' ' TYR . 9.6 t80 -78.13 136.02 37.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.803 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.6 mp0 -127.7 102.63 6.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.887 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -55.21 -25.9 35.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.11 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -57.43 -29.14 63.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.857 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -100.17 16.72 23.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.427 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.427 ' CD2' ' CE1' ' A' ' 52' ' ' TYR . 71.4 m-85 -142.07 23.11 2.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.811 -179.626 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.226 0 CA-C-O 120.873 0.368 . . . . 0.0 110.645 -179.577 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.4 ttm . . . . . 0 N--CA 1.488 1.425 0 CA-C-O 120.893 0.378 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.641 ' O ' HG23 ' A' ' 6' ' ' VAL . 2.4 m-85 -82.47 154.47 25.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.919 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.677 ' HE2' HD11 ' A' ' 7' ' ' ILE . 10.1 tttt -71.16 -30.82 66.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.953 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.3 ttpm? -64.48 -36.87 85.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.13 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.42 -50.08 49.19 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.096 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.641 HG23 ' O ' ' A' ' 2' ' ' TYR . 2.9 t -56.05 -49.47 75.45 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.346 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.677 HD11 ' HE2' ' A' ' 3' ' ' LYS . 52.1 mt -61.93 -29.13 45.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.13 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.41 -25.24 54.3 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.879 0.371 . . . . 0.0 110.557 179.796 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.555 ' NE2' HG22 ' A' ' 46' ' ' THR . 16.3 t60 -84.86 -33.78 22.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.521 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.549 ' CE2' HG13 ' A' ' 16' ' ' VAL . 28.5 m-85 -88.9 -41.83 12.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.192 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.68 -29.03 10.35 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.265 -179.7 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -146.93 136.47 22.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.73 0.3 . . . . 0.0 110.595 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -51.06 -49.78 59.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.239 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -45.95 -42.32 12.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.449 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.84 -49.38 77.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.082 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.549 HG13 ' CE2' ' A' ' 10' ' ' PHE . 0.8 OUTLIER -58.45 -49.32 82.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.109 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.531 ' HB1' ' O ' ' A' ' 22' ' ' ILE . . . -60.13 -31.01 69.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.043 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.4 mmtt -74.82 -34.89 62.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.65 -41.74 65.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.108 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.7 HD21 ' HG ' ' A' ' 42' ' ' LEU . 53.9 mt -82.8 -31.07 28.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.035 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 106.71 -7.75 39.24 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.785 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.531 ' O ' ' HB1' ' A' ' 17' ' ' ALA . 43.5 pt -79.99 -178.89 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.737 0.303 . . . . 0.0 111.094 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.4 m -85.43 153.83 22.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.842 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -60.34 -31.34 70.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.902 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.85 -40.0 91.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.952 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.13 -31.76 69.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.945 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.442 ' CG2' ' HB2' ' A' ' 17' ' ' ALA . 48.5 t -69.1 -42.74 81.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.986 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.87 -28.99 64.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.881 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -74.4 -14.71 60.9 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.293 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.46 ' CD2' HG22 ' A' ' 34' ' ' ILE . 16.7 m0 -52.7 169.27 0.09 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.771 0.319 . . . . 0.0 111.151 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.71 -164.27 1.35 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.826 -179.772 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -49.48 -28.31 5.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.647 0.26 . . . . 0.0 111.173 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 23.5 t -135.27 119.01 24.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.981 179.565 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.824 HD12 HD12 ' A' ' 42' ' ' LEU . 29.9 pt -61.89 158.78 40.86 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.251 -179.76 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -50.96 157.67 3.7 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.553 2.169 . . . . 0.0 112.613 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.424 ' HG2' ' HB3' ' A' ' 57' ' ' TYR . 0.5 OUTLIER -59.72 -49.7 76.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.373 -179.808 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.23 -15.66 60.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.684 -179.45 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -79.77 -48.23 13.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.908 0.385 . . . . 0.0 110.877 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.578 ' HB2' HG13 ' A' ' 34' ' ' ILE . . . -64.44 -24.27 67.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.031 179.754 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -66.48 -70.29 0.25 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.001 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.2 mtp85 -58.44 -28.31 65.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.15 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.824 HD12 HD12 ' A' ' 34' ' ' ILE . 7.6 mt -58.96 -34.76 72.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.119 -179.774 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -71.18 -29.53 65.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.993 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.9 mt -78.87 -45.53 24.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.246 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.495 HG23 HG23 ' A' ' 46' ' ' THR . 12.4 m -57.48 -41.1 78.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.334 -179.821 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.555 HG22 ' NE2' ' A' ' 9' ' ' HIS . 60.7 p -83.16 32.6 0.44 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.996 -0.547 . . . . 0.0 112.09 -179.411 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 46.97 38.04 5.74 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.736 0.303 . . . . 0.0 111.566 179.58 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 66.56 23.07 71.95 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.539 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.42 -33.61 72.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.932 0.396 . . . . 0.0 110.942 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -106.27 -176.6 3.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.709 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.94 118.72 14.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.93 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 30.0 t80 -60.83 145.58 49.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.833 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.41 ' O ' ' CD2' ' A' ' 57' ' ' TYR . 51.2 mt-30 -131.66 88.86 2.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.008 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 22.1 pt-20 -58.79 -20.22 47.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.224 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -52.06 -48.9 64.39 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.399 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -86.2 5.73 32.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.631 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.424 ' HB3' ' HG2' ' A' ' 36' ' ' GLU . 44.5 m-85 -115.89 -17.06 11.08 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.707 0.289 . . . . 0.0 111.361 -179.778 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.1 ptt180 . . . . . 0 C--N 1.331 -0.204 0 CA-C-O 120.825 0.345 . . . . 0.0 110.82 -179.905 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.53 ' HB3' HD11 ' A' ' 34' ' ' ILE . 2.5 mtm . . . . . 0 N--CA 1.487 1.407 0 CA-C-O 120.79 0.328 . . . . 0.0 111.095 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -88.89 146.47 24.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.945 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 47.2 tttt -57.93 -44.25 86.78 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.059 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.3 ttmm -51.5 -41.63 61.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.264 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -61.91 -52.78 62.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.01 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.8 t -56.97 -39.23 64.31 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.267 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.484 HD13 HG21 ' A' ' 16' ' ' VAL . 41.0 mm -71.55 -36.33 59.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.134 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.99 -24.88 55.36 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.404 179.806 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 1.002 ' CE1' HG22 ' A' ' 46' ' ' THR . 7.5 t-80 -82.85 -27.39 30.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.7 179.743 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.45 ' CE2' ' HA ' ' A' ' 16' ' ' VAL . 2.8 m-85 -95.67 -42.73 8.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.028 -179.66 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 109.08 -30.11 8.99 Favored Glycine 0 N--CA 1.453 -0.205 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.464 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 18.9 p -142.19 171.58 13.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.762 0.315 . . . . 0.0 110.916 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -84.38 -51.74 6.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.834 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -53.27 -29.21 31.79 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.08 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.73 -46.53 81.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.046 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.484 HG21 HD13 ' A' ' 7' ' ' ILE . 0.4 OUTLIER -59.07 -31.96 46.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.958 -179.939 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.861 ' HB1' ' O ' ' A' ' 22' ' ' ILE . . . -73.3 -26.86 61.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.197 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.6 ttmt -74.5 -38.12 62.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.033 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.926 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . -65.28 -49.74 68.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.162 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.416 HD13 ' OD1' ' A' ' 38' ' ' ASP . 10.5 mt -79.97 -27.22 39.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.068 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 95.28 26.11 12.87 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.469 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.861 ' O ' ' HB1' ' A' ' 17' ' ' ALA . 26.7 pt -110.87 -177.88 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.739 0.304 . . . . 0.0 111.015 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.2 m -94.34 163.69 13.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.782 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -59.27 -31.16 68.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.927 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.01 -46.29 88.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.099 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.483 ' HB3' HD12 ' A' ' 22' ' ' ILE . . . -59.11 -35.98 74.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.157 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.4 HG13 ' CZ3' ' A' ' 30' ' ' TRP . 44.8 t -72.76 -45.13 57.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.032 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 40.5 t -68.01 -29.6 68.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.986 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -76.02 -17.67 59.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.004 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.404 ' CD1' ' O ' ' A' ' 26' ' ' ALA . 32.5 m0 -52.79 150.29 5.45 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.909 0.385 . . . . 0.0 111.149 -179.86 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.39 -169.81 1.65 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.315 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -47.65 -29.1 2.73 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.017 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 32.5 t -128.44 116.34 41.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.805 179.56 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.53 HD11 ' HB3' ' A' ' 1' ' ' MET . 11.0 pt -53.85 160.99 1.86 Allowed Pre-proline 0 C--N 1.331 -0.223 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.391 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -53.89 165.76 1.76 Allowed 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.655 2.237 . . . . 0.0 112.489 -179.711 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -71.43 -33.0 69.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.37 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.9 mttm -90.02 -20.21 23.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.796 -179.402 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.416 ' OD1' HD13 ' A' ' 20' ' ' LEU . 5.8 m-20 -79.73 -40.87 27.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.837 0.351 . . . . 0.0 110.636 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.525 ' HA ' HD12 ' A' ' 34' ' ' ILE . . . -64.32 -25.72 68.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.974 179.666 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -67.37 -70.42 0.25 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.038 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 19.0 mtp180 -54.92 -27.44 43.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.261 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.497 HD12 HD12 ' A' ' 34' ' ' ILE . 7.8 mt -59.56 -34.42 72.67 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.965 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -68.84 -21.93 64.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.297 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.7 mt -85.98 -49.64 15.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.309 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.926 HG11 ' HB1' ' A' ' 19' ' ' ALA . 2.4 m -57.55 -36.81 55.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.427 -179.82 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' THR . . . . . 1.002 HG22 ' CE1' ' A' ' 9' ' ' HIS . 17.5 p -81.95 9.53 8.1 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.814 -179.547 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 65.28 32.84 9.61 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.803 0.335 . . . . 0.0 111.119 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 76.97 27.66 60.01 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.612 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.604 ' HB3' ' HB ' ' A' ' 46' ' ' THR . . . -74.76 -50.47 17.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.833 0.349 . . . . 0.0 110.994 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.9 mt -93.2 115.64 28.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.806 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.0 124.7 28.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.981 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.505 ' CE1' ' CD2' ' A' ' 57' ' ' TYR . 16.9 t80 -66.25 149.92 49.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.786 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.434 ' O ' ' CD2' ' A' ' 57' ' ' TYR . 45.6 mt-30 -144.78 108.88 4.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.884 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.16 -15.31 45.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.608 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -45.68 -52.61 10.58 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.706 0.289 . . . . 0.0 111.551 -179.695 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -78.28 -24.28 46.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.984 0.421 . . . . 0.0 111.421 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.505 ' CD2' ' CE1' ' A' ' 52' ' ' TYR . 2.3 m-85 -105.34 38.36 1.98 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.819 -179.612 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.522 -0.103 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.118 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.65 ' SD ' HD13 ' A' ' 50' ' ' LEU . 2.7 ptp . . . . . 0 N--CA 1.487 1.407 0 CA-C-O 120.865 0.364 . . . . 0.0 111.204 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -83.66 136.61 34.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.934 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.3 tttp -57.66 -28.25 63.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.116 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.5 tptm -60.63 -49.83 75.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.064 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.665 ' OD2' HD21 ' A' ' 50' ' ' LEU . 0.6 OUTLIER -58.86 -47.1 86.1 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.0 -179.858 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.0 t -55.52 -55.14 18.76 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.438 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.293 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 63.9 mt -59.15 -31.84 46.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.061 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.9 -24.51 52.52 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.492 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 31.7 t60 -84.46 -32.03 24.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.592 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.559 ' CE2' HG13 ' A' ' 16' ' ' VAL . 36.5 m-85 -92.54 -35.76 13.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.031 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 92.57 -46.33 2.55 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.202 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 60.1 p -130.0 147.6 51.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.778 0.323 . . . . 0.0 110.725 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -58.21 -55.39 35.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.96 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.5 tpt180 -45.52 -32.41 2.23 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.285 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.27 -54.63 37.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.833 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.559 HG13 ' CE2' ' A' ' 10' ' ' PHE . 1.1 t -57.46 -39.95 71.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.111 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.698 ' HB1' ' O ' ' A' ' 22' ' ' ILE . . . -68.43 -30.89 69.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.174 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.7 tttp -79.5 -37.11 37.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.988 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.51 -41.79 60.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.189 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.403 HD22 ' HB2' ' A' ' 41' ' ' ARG . 55.8 mt -80.05 -33.81 38.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.993 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 100.67 27.24 7.64 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.499 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.698 ' O ' ' HB1' ' A' ' 17' ' ' ALA . 36.2 pt -116.93 -179.25 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.841 0.353 . . . . 0.0 111.072 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 29.4 t -89.57 160.67 16.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.914 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -60.37 -31.7 70.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.851 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.76 -42.73 90.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.111 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.405 ' O ' ' CD1' ' A' ' 30' ' ' TRP . . . -59.43 -31.0 68.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.08 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 41.9 t -75.6 -46.88 35.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.152 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.86 -37.94 85.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.957 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -60.27 -20.04 57.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.106 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.419 ' CE3' HG22 ' A' ' 34' ' ' ILE . 42.6 m0 -53.05 157.54 1.74 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.867 0.365 . . . . 0.0 111.378 -179.783 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.2 pttt -119.32 -163.25 0.96 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.814 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -46.7 -36.65 7.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.694 0.283 . . . . 0.0 111.175 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 24.2 t -122.91 117.33 51.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.841 0.353 . . . . 0.0 110.929 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.526 HD12 ' HA ' ' A' ' 39' ' ' ALA . 8.6 pt -55.42 159.22 4.78 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.3 -179.79 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -53.1 157.7 7.99 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.661 2.241 . . . . 0.0 112.4 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.439 ' HG3' ' CD1' ' A' ' 57' ' ' TYR . 6.1 tt0 -68.23 -32.84 73.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.463 -179.649 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.4 pttt -89.95 -22.78 21.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.778 -179.315 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 -79.89 -40.49 28.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.852 0.358 . . . . 0.0 110.602 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.577 ' HA ' HD12 ' A' ' 42' ' ' LEU . . . -64.93 -27.88 69.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.833 179.604 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -67.73 -57.39 6.43 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.918 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.403 ' HB2' HD22 ' A' ' 20' ' ' LEU . 0.8 OUTLIER -62.36 -29.55 70.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.994 -179.838 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.577 HD12 ' HA ' ' A' ' 39' ' ' ALA . 18.3 mt -57.19 -51.03 70.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.087 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.84 -47.17 64.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.175 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.8 mt -71.11 -44.68 74.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.329 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.72 -37.38 75.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.42 -179.758 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 31.4 p -88.26 37.78 0.83 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.757 -179.459 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 46.89 28.83 0.9 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.732 0.301 . . . . 0.0 111.694 179.581 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 70.41 31.59 68.43 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.517 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.79 -45.3 71.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.798 0.332 . . . . 0.0 111.116 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.665 HD21 ' OD2' ' A' ' 5' ' ' ASP . 2.0 mt -94.36 176.44 6.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.792 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.3 ptmt -126.33 125.75 42.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.958 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.467 ' CE1' ' CD2' ' A' ' 57' ' ' TYR . 7.3 t80 -83.98 115.45 22.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.97 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -108.75 138.32 45.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.62 179.729 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -90.1 44.69 1.22 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.905 0.383 . . . . 0.0 111.244 -179.692 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 69.5 m-20 -90.28 -74.79 0.48 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.564 179.669 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.93 -13.96 62.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.171 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.467 ' CD2' ' CE1' ' A' ' 52' ' ' TYR . 21.9 m-85 -89.17 12.33 16.15 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.345 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.33 0 CA-C-O 121.085 0.469 . . . . 0.0 111.042 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.824 0.345 . . . . 0.0 111.185 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -88.96 144.96 25.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.004 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.508 ' HG2' HD13 ' A' ' 7' ' ' ILE . 6.1 tttm -61.69 -42.76 99.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.044 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 17.3 tttm -53.53 -25.58 17.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.325 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -76.16 -47.71 23.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.096 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.407 HG23 ' H ' ' A' ' 6' ' ' VAL . 2.9 t -54.94 -56.74 9.33 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.398 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.371 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.508 HD13 ' HG2' ' A' ' 3' ' ' LYS . 3.0 mp -59.92 -24.93 31.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.963 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.5 -28.25 56.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.012 0.434 . . . . 0.0 110.147 179.551 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.667 ' CE1' HG22 ' A' ' 46' ' ' THR . 3.6 t-80 -90.08 -29.47 18.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.453 179.674 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.446 ' CE2' ' HA ' ' A' ' 16' ' ' VAL . 2.5 m-85 -91.84 -46.3 7.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.1 -179.528 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 106.86 -40.4 2.52 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.505 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 13.2 p -126.5 175.55 7.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.821 0.344 . . . . 0.0 110.96 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -88.05 -50.6 6.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.88 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.8 ttt180 -54.42 -30.36 52.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.946 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.02 -45.78 92.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.844 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.512 ' O ' HD12 ' A' ' 20' ' ' LEU . 0.5 OUTLIER -60.49 -39.46 81.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.778 ' HB1' ' O ' ' A' ' 22' ' ' ILE . . . -65.2 -28.5 69.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.096 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.0 mmtt -90.11 16.46 8.4 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.455 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.823 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . -111.47 -42.21 3.93 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.875 0.369 . . . . 0.0 111.094 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.824 HD23 ' HB2' ' A' ' 41' ' ' ARG . 0.9 OUTLIER -97.75 -30.13 12.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.939 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 113.0 28.11 3.49 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.462 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.778 ' O ' ' HB1' ' A' ' 17' ' ' ALA . 32.8 pt -114.53 -178.92 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.794 0.331 . . . . 0.0 111.163 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.1 p -97.33 165.15 12.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.992 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -59.91 -30.94 69.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.944 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.02 -46.36 91.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.105 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.21 -37.17 76.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.146 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 61.7 t -70.76 -38.86 74.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.026 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 18.7 m -69.19 -28.9 66.8 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.967 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -78.67 -17.06 56.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.388 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.585 ' CD2' HG22 ' A' ' 34' ' ' ILE . 26.4 m0 -52.91 125.11 15.99 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.833 0.349 . . . . 0.0 111.119 -179.799 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.6 pttm -87.99 -163.92 1.03 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.929 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -49.37 -27.76 4.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.684 0.278 . . . . 0.0 111.168 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.6 t -131.36 120.37 45.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.109 0.48 . . . . 0.0 111.132 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.634 HG13 ' HB2' ' A' ' 39' ' ' ALA . 20.3 pt -70.78 159.8 84.1 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.187 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -49.24 158.34 1.56 Allowed 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.701 2.268 . . . . 0.0 112.633 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -68.76 -28.95 67.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.138 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.83 -22.56 22.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.506 -179.585 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.464 ' HA ' HD22 ' A' ' 20' ' ' LEU . 23.1 m-20 -79.79 -44.59 20.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.825 0.345 . . . . 0.0 110.559 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.634 ' HB2' HG13 ' A' ' 34' ' ' ILE . . . -65.55 -24.61 67.14 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.833 179.552 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -66.8 -58.73 4.47 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.918 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.824 ' HB2' HD23 ' A' ' 20' ' ' LEU . 17.9 mtm180 -57.61 -37.42 73.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.948 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.591 HD12 ' CD1' ' A' ' 34' ' ' ILE . 19.5 mt -53.85 -52.19 61.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.062 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 50.9 tt0 -50.03 -30.13 10.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.183 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.0 mt -88.94 -44.43 15.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.95 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.823 HG11 ' HB1' ' A' ' 19' ' ' ALA . 22.9 t -65.22 -21.16 28.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.604 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.667 HG22 ' CE1' ' A' ' 9' ' ' HIS . 14.7 p -92.36 23.8 3.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.278 -179.679 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 56.45 31.04 18.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.843 0.354 . . . . 0.0 111.082 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 71.05 25.76 75.12 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.528 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -73.12 -54.2 9.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.816 0.341 . . . . 0.0 110.998 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 62.7 mt -80.08 165.39 22.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.821 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.2 tptt -123.32 120.19 32.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.943 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.508 ' CE1' ' CD2' ' A' ' 57' ' ' TYR . 5.3 t80 -78.7 121.97 25.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.021 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -112.48 128.56 56.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.712 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -90.12 37.42 0.89 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.324 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -90.18 -32.17 16.73 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 120.897 0.379 . . . . 0.0 110.579 179.748 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -102.4 -23.84 13.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.177 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.508 ' CD2' ' CE1' ' A' ' 52' ' ' TYR . 11.3 m-85 -94.06 18.88 9.91 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.227 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.237 0 CA-C-O 120.771 0.319 . . . . 0.0 111.002 179.559 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.743 ' HG3' ' HB1' ' A' ' 39' ' ' ALA . 4.1 mmt . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.789 0.328 . . . . 0.0 111.202 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -73.5 125.59 28.29 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.734 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.521 ' HE3' HD11 ' A' ' 7' ' ' ILE . 19.8 ttpt -52.95 -28.19 22.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.099 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.0 tttp -57.32 -44.77 84.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.869 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -70.07 -45.18 67.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.721 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.614 HG12 ' CD2' ' A' ' 10' ' ' PHE . 2.8 t -57.15 -52.88 50.68 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.473 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.02 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.521 HD11 ' HE3' ' A' ' 3' ' ' LYS . 64.7 mt -55.98 -29.39 26.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.083 179.789 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.92 -29.41 50.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.31 179.705 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -84.08 -31.6 25.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.369 179.598 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.733 ' CD2' HG13 ' A' ' 16' ' ' VAL . 37.9 m-85 -90.64 -28.96 18.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.985 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 92.98 -45.28 2.48 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.415 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -145.46 -177.64 5.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.812 0.339 . . . . 0.0 110.707 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.401 ' O ' HG23 ' A' ' 16' ' ' VAL . 82.8 mt-30 -75.22 -43.32 52.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.84 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.07 -38.19 70.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.072 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.535 ' HB3' ' HB3' ' A' ' 10' ' ' PHE . . . -59.48 -39.03 82.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.085 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.733 HG13 ' CD2' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -77.86 -42.13 28.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.948 179.812 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.806 ' HB1' ' O ' ' A' ' 22' ' ' ILE . . . -55.07 -36.27 65.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.314 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.0 pttt -77.21 -26.59 52.89 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.984 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.801 ' HB1' HG21 ' A' ' 45' ' ' VAL . . . -68.96 -59.17 3.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.282 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.575 HD22 ' HB2' ' A' ' 41' ' ' ARG . 11.3 mt -79.81 -23.96 41.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.207 -179.809 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 97.06 28.29 8.78 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.608 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.806 ' O ' ' HB1' ' A' ' 17' ' ' ALA . 31.3 pt -111.22 -179.97 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.78 0.324 . . . . 0.0 111.098 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 73.8 m -95.8 168.61 10.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.792 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -58.31 -30.52 66.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.964 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.43 -44.61 90.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.015 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.576 ' HB3' HD12 ' A' ' 22' ' ' ILE . . . -57.9 -46.3 85.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.113 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 58.6 t -68.55 -37.01 77.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.997 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 23.0 t -72.87 -34.7 66.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -68.28 -18.58 64.57 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.146 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.434 ' CE3' HG22 ' A' ' 34' ' ' ILE . 27.1 m0 -53.17 -178.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.929 0.395 . . . . 0.0 111.236 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 29.1 mttm -147.56 -162.95 1.65 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.773 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -49.93 -26.67 4.37 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.189 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.654 HG12 ' HE1' ' A' ' 57' ' ' TYR . 3.5 t -136.2 114.9 15.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.969 179.817 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.609 ' CD1' HD11 ' A' ' 42' ' ' LEU . 39.9 pt -65.15 161.0 52.75 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.318 -179.818 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.419 ' HD2' ' HB ' ' A' ' 34' ' ' ILE . 53.3 Cg_exo -52.69 163.23 1.99 Allowed 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.471 2.114 . . . . 0.0 112.308 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -72.89 -30.37 63.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.037 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 9.6 mttp -85.07 -23.37 28.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.204 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -79.67 -46.8 16.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.896 0.379 . . . . 0.0 110.067 179.5 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.743 ' HB1' ' HG3' ' A' ' 1' ' ' MET . . . -60.85 -24.63 66.05 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.956 179.256 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 21.6 t80 -68.1 -55.83 11.05 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.172 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.575 ' HB2' HD22 ' A' ' 20' ' ' LEU . 7.2 mtt85 -55.87 -22.08 23.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.58 -179.64 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.609 HD11 ' CD1' ' A' ' 34' ' ' ILE . 51.3 mt -52.52 -57.98 8.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.797 0.332 . . . . 0.0 111.344 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -53.81 -23.74 13.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.596 -179.665 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.8 mt -85.97 -50.66 14.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.736 0.303 . . . . 0.0 111.35 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.801 HG21 ' HB1' ' A' ' 19' ' ' ALA . 0.6 OUTLIER -71.73 -42.91 70.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.037 0.446 . . . . 0.0 111.484 -179.596 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.436 ' N ' ' CG1' ' A' ' 45' ' ' VAL . 19.2 p -79.82 3.95 18.01 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.901 -179.583 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 62.79 30.2 16.71 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.811 0.339 . . . . 0.0 111.237 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 80.74 27.07 52.16 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.532 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.61 -50.98 71.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.862 0.363 . . . . 0.0 110.907 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.8 mp -98.93 -178.07 3.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.754 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.53 103.88 9.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.877 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -71.63 115.77 11.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -123.87 133.18 53.82 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.712 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -90.16 26.05 2.0 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.386 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -72.76 -74.96 0.15 Allowed 'General case' 0 C--O 1.234 0.265 0 CA-C-O 120.756 0.312 . . . . 0.0 110.482 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.11 -18.48 60.93 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.896 0.379 . . . . 0.0 111.008 179.558 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.654 ' HE1' HG12 ' A' ' 33' ' ' VAL . 21.7 m-85 -79.56 -14.84 58.57 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.184 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 16.3 mtp180 . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 121.129 0.49 . . . . 0.0 110.529 -179.668 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.58 ' HE3' ' HB1' ' A' ' 39' ' ' ALA . 0.9 OUTLIER . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.895 0.379 . . . . 0.0 111.322 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.461 ' O ' HG23 ' A' ' 6' ' ' VAL . 4.3 m-85 -76.85 159.08 30.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.835 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 11.2 tttt -71.11 -30.14 66.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.934 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 9.8 ttmt -60.67 -44.31 96.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.99 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.13 -51.96 66.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.016 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 2' ' ' TYR . 3.4 t -53.81 -53.68 25.07 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.354 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.186 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 52.8 mt -57.85 -29.33 35.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.12 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.19 -27.02 53.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.889 0.376 . . . . 0.0 110.343 179.773 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.528 ' CE1' HG22 ' A' ' 46' ' ' THR . 25.0 t-80 -85.69 -30.9 22.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.713 179.792 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.675 ' CE2' HG13 ' A' ' 16' ' ' VAL . 43.2 m-85 -93.8 -34.61 13.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.219 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 92.33 -45.98 2.6 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.19 -179.656 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 43.2 p -132.85 137.8 46.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.71 0.291 . . . . 0.0 110.527 179.671 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -50.87 -51.12 54.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.251 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.1 tpp180 -46.95 -34.14 5.26 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.291 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.43 -51.49 65.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.024 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.675 HG13 ' CE2' ' A' ' 10' ' ' PHE . 0.5 OUTLIER -54.75 -43.64 67.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.187 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.755 ' HB1' ' O ' ' A' ' 22' ' ' ILE . . . -59.7 -28.57 67.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.136 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.88 -30.85 62.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.001 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.674 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . -79.65 -36.25 38.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.208 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.531 HD23 ' HB2' ' A' ' 41' ' ' ARG . 10.7 mt -89.49 -31.17 17.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.901 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 92.95 26.75 15.59 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.371 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.755 ' O ' ' HB1' ' A' ' 17' ' ' ALA . 39.9 pt -112.43 -178.01 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.826 0.345 . . . . 0.0 111.051 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.2 p -84.79 161.64 19.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.841 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -65.61 -32.34 73.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.91 -43.85 97.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.119 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.54 -32.74 70.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.12 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.424 HG13 ' CZ3' ' A' ' 30' ' ' TRP . 47.8 t -72.76 -43.04 61.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.095 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.7 t -71.03 -30.46 66.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.909 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -72.68 -13.95 61.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.478 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.498 ' CD2' HG22 ' A' ' 34' ' ' ILE . 20.1 m0 -54.97 129.66 38.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.934 0.397 . . . . 0.0 111.176 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.14 -164.91 0.95 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.595 179.749 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -47.82 -28.93 2.83 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.025 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.7 t -133.75 124.8 48.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.889 179.767 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.649 ' CD1' HD12 ' A' ' 42' ' ' LEU . 42.4 pt -64.51 158.34 67.53 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.154 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.435 ' HD3' ' CD1' ' A' ' 30' ' ' TRP . 77.7 Cg_exo -50.77 168.66 0.2 Allowed 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.596 2.198 . . . . 0.0 112.643 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.428 ' HG3' ' CD1' ' A' ' 57' ' ' TYR . 4.3 tt0 -67.5 -58.95 3.82 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.34 -179.776 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.0 mttt -65.63 -15.68 62.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.789 -179.406 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -79.85 -53.13 7.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.816 0.341 . . . . 0.0 110.637 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.58 ' HB1' ' HE3' ' A' ' 1' ' ' MET . . . -62.19 -22.31 65.8 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.493 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 83.4 t80 -72.91 -63.61 1.14 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.026 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.531 ' HB2' HD23 ' A' ' 20' ' ' LEU . 5.0 mtp85 -57.07 -21.23 30.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.423 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.649 HD12 ' CD1' ' A' ' 34' ' ' ILE . 15.1 mt -64.52 -40.59 95.92 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.568 -179.501 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -54.83 -52.16 63.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.902 0.382 . . . . 0.0 111.007 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.634 ' H ' HD12 ' A' ' 44' ' ' ILE . 3.6 mp -58.65 -47.51 88.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.084 -0.507 . . . . 0.0 112.328 -179.494 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.674 HG11 ' HB1' ' A' ' 19' ' ' ALA . 11.3 m -63.76 -41.24 91.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.948 0.404 . . . . 0.0 111.548 -179.258 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.528 HG22 ' CE1' ' A' ' 9' ' ' HIS . 65.2 p -79.7 6.59 10.38 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.854 -179.508 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 63.78 35.24 11.36 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.912 0.387 . . . . 0.0 111.183 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 76.56 26.46 63.16 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.593 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.42 -56.76 17.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.895 0.379 . . . . 0.0 110.939 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.485 HD13 ' SD ' ' A' ' 1' ' ' MET . 2.9 mt -98.24 144.95 27.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.62 179.672 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.45 112.35 24.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.89 0.376 . . . . 0.0 111.217 -179.702 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.499 ' CE1' ' CD2' ' A' ' 57' ' ' TYR . 2.3 t80 -67.79 132.1 46.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.9 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -117.76 143.82 45.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.435 179.682 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -90.25 38.09 0.92 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.786 0.327 . . . . 0.0 111.426 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -90.4 -76.9 0.42 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.563 -0.289 . . . . 0.0 110.94 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.98 -13.35 61.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.827 0.346 . . . . 0.0 111.579 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.499 ' CD2' ' CE1' ' A' ' 52' ' ' TYR . 75.8 m-85 -98.54 26.91 5.14 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.133 0.492 . . . . 0.0 111.187 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.204 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.833 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.852 0.358 . . . . 0.0 111.152 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -91.79 143.67 26.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.729 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.576 ' HD3' HD11 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -56.86 -27.35 60.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.037 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.9 tttp -59.26 -50.23 74.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.942 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -58.57 -46.87 86.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.921 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.536 HG21 HG21 ' A' ' 34' ' ' ILE . 2.7 t -57.35 -51.68 66.45 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.489 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.188 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.576 HD11 ' HD3' ' A' ' 3' ' ' LYS . 57.5 mt -60.23 -27.99 40.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.224 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.58 -26.42 55.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.532 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.765 ' CE1' HG22 ' A' ' 46' ' ' THR . 31.8 t-80 -86.33 -32.45 21.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.699 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.593 ' CE2' HG13 ' A' ' 16' ' ' VAL . 45.4 m-85 -92.15 -33.2 14.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.001 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 92.02 -46.87 2.68 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.202 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -134.51 148.52 50.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.734 0.302 . . . . 0.0 110.689 179.751 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -56.02 -51.66 67.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.058 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.6 -39.07 7.22 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.403 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.0 -51.33 70.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.998 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.593 HG13 ' CE2' ' A' ' 10' ' ' PHE . 0.6 OUTLIER -55.59 -44.9 78.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.192 179.921 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.01 -29.03 69.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.165 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.36 22.51 3.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.272 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -132.07 -46.29 0.93 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.746 0.308 . . . . 0.0 111.103 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 16.8 mt -80.27 -31.06 38.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.881 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 109.09 28.13 4.54 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.544 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.499 HD12 ' HB3' ' A' ' 26' ' ' ALA . 41.2 pt -116.63 -179.11 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.858 0.361 . . . . 0.0 110.961 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.1 t -89.83 161.19 16.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -59.67 -30.84 69.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.947 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.14 -33.18 69.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.083 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.499 ' HB3' HD12 ' A' ' 22' ' ' ILE . . . -59.36 -43.59 92.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.064 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.437 HG13 ' CZ3' ' A' ' 30' ' ' TRP . 41.7 t -66.35 -47.87 82.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.064 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 18.2 p -67.2 -29.28 68.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.918 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -72.69 -19.43 61.41 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.401 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.437 ' CZ3' HG13 ' A' ' 27' ' ' VAL . 33.1 m0 -52.92 155.92 2.23 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.056 0.455 . . . . 0.0 111.145 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.4 mmtp -107.12 -170.66 1.74 Allowed 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.834 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -48.08 -28.49 2.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.779 0.323 . . . . 0.0 110.95 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 31.7 t -127.02 119.77 53.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 179.653 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.568 ' CD1' ' HB2' ' A' ' 39' ' ' ALA . 47.2 pt -56.01 156.96 9.14 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.201 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -53.55 -175.05 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.489 2.126 . . . . 0.0 112.256 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.401 ' CG ' ' HB3' ' A' ' 57' ' ' TYR . 71.1 tt0 -89.95 -41.14 11.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.182 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 9.2 mtpt -81.45 -17.8 47.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.49 -179.584 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -79.75 -47.88 14.54 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 179.681 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.887 ' HA ' HD12 ' A' ' 42' ' ' LEU . . . -56.88 -25.83 57.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.852 179.281 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -75.89 -49.62 17.36 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.972 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 18.0 mtt85 -67.53 -30.47 70.14 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.144 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.887 HD12 ' HA ' ' A' ' 39' ' ' ALA . 14.7 mt -58.52 -39.47 80.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.115 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.74 -17.82 65.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.247 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.8 mt -91.14 -48.25 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.032 0.444 . . . . 0.0 111.011 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.549 HG23 HG23 ' A' ' 46' ' ' THR . 16.6 m -61.49 -43.13 96.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.261 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.765 HG22 ' CE1' ' A' ' 9' ' ' HIS . 74.7 p -79.83 4.72 15.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.895 -179.491 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 65.88 30.39 9.93 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 120.824 0.345 . . . . 0.0 111.244 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 80.63 26.91 52.94 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.649 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.514 ' HB3' ' HB ' ' A' ' 46' ' ' THR . . . -68.68 -36.66 78.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.798 0.332 . . . . 0.0 110.975 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 23.4 mt -102.53 -176.53 3.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.763 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -128.26 107.77 10.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.888 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -74.54 126.51 30.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.866 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.421 ' O ' ' CD2' ' A' ' 57' ' ' TYR . 36.8 mt-30 -128.35 120.7 27.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.566 179.619 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -85.1 19.2 2.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.715 -179.707 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -61.25 -69.13 0.25 Allowed 'General case' 0 CA--C 1.518 -0.287 0 CA-C-O 120.764 0.316 . . . . 0.0 110.326 179.72 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.23 -13.34 62.13 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-O 120.812 0.339 . . . . 0.0 110.989 179.328 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.421 ' CD2' ' O ' ' A' ' 53' ' ' GLN . 14.6 m-85 -97.4 26.52 4.83 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.0 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 16.1 ttp85 . . . . . 0 C--N 1.327 -0.381 0 CA-C-O 121.09 0.471 . . . . 0.0 110.987 179.95 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.59 ' CG ' HD11 ' A' ' 34' ' ' ILE . 3.4 ptp . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.837 0.351 . . . . 0.0 111.174 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -83.05 139.9 32.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.965 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.703 ' CE ' HD11 ' A' ' 7' ' ' ILE . 34.5 tttt -59.32 -24.39 63.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.059 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.8 -38.38 67.25 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.032 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.98 -48.84 33.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.802 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.1 t -54.29 -57.13 6.8 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.018 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.703 HD11 ' CE ' ' A' ' 3' ' ' LYS . 46.3 mt -56.86 -26.76 24.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.119 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.96 -27.73 49.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.001 0.429 . . . . 0.0 110.343 179.651 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.477 ' CD2' HG22 ' A' ' 46' ' ' THR . 17.9 t60 -87.43 -29.11 21.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.725 179.78 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.565 ' HB3' ' HB3' ' A' ' 15' ' ' ALA . 55.0 m-85 -96.43 -27.38 14.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.132 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 92.37 -47.82 2.61 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.12 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.7 p -142.5 155.97 45.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.808 0.337 . . . . 0.0 110.51 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -54.86 -50.69 68.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.997 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.1 ttt-85 -44.9 -40.21 6.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.499 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.565 ' HB3' ' HB3' ' A' ' 10' ' ' PHE . . . -60.62 -51.12 70.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.072 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.45 HG13 ' CE2' ' A' ' 10' ' ' PHE . 0.9 OUTLIER -55.91 -40.92 65.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.199 179.927 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.78 ' HB1' ' O ' ' A' ' 22' ' ' ILE . . . -61.01 -30.01 70.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.168 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.3 mmtp -76.2 -30.87 58.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.996 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.45 ' HB2' ' HE1' ' A' ' 10' ' ' PHE . . . -76.24 -49.45 17.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.255 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.569 HD21 ' HG ' ' A' ' 42' ' ' LEU . 15.5 mt -79.93 -29.57 39.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.974 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 93.57 28.0 12.08 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.458 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.78 ' O ' ' HB1' ' A' ' 17' ' ' ALA . 31.6 pt -110.01 -179.57 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.82 0.343 . . . . 0.0 111.127 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 91.9 p -88.91 161.65 16.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.895 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.07 -31.39 72.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.944 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.36 -44.16 97.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.02 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.54 -42.89 93.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.083 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 28.7 t -60.9 -52.44 61.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.161 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.8 t -63.19 -36.47 83.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.981 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -61.15 -19.5 61.61 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.562 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.435 ' CE3' HG22 ' A' ' 34' ' ' ILE . 46.7 m0 -53.93 166.94 0.3 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.261 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.4 pttt -126.71 -166.61 1.61 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.16 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -44.67 -30.7 0.98 Allowed 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.386 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 30.5 t -130.51 120.7 49.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.85 179.587 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.59 HD11 ' CG ' ' A' ' 1' ' ' MET . 12.6 pt -54.59 157.88 4.76 Favored Pre-proline 0 C--N 1.33 -0.239 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.165 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_exo -51.0 171.35 0.12 Allowed 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.543 2.162 . . . . 0.0 112.425 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -77.69 -33.21 53.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.228 -179.745 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.1 mttp -90.02 -20.05 23.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.675 -179.605 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -79.73 -40.44 28.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.814 0.34 . . . . 0.0 110.544 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.555 ' HB3' ' CE2' ' A' ' 52' ' ' TYR . . . -62.92 -26.75 68.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.752 179.523 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.4 ' O ' HD12 ' A' ' 44' ' ' ILE . 72.0 t80 -74.14 -51.68 14.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.92 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.434 ' HB2' HD22 ' A' ' 20' ' ' LEU . 4.3 mtt180 -65.82 -24.15 66.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.096 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.569 ' HG ' HD21 ' A' ' 20' ' ' LEU . 9.9 mt -66.52 -34.65 78.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.36 -179.679 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.64 -51.34 70.35 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.976 0.417 . . . . 0.0 110.914 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.645 ' H ' HD12 ' A' ' 44' ' ' ILE . 3.5 mp -61.18 -47.01 95.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.985 -0.552 . . . . 0.0 112.421 -179.368 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.465 HG22 ' HA ' ' A' ' 42' ' ' LEU . 15.2 m -61.11 -42.33 92.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.881 0.372 . . . . 0.0 111.778 -179.232 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.64 ' HB ' ' HB3' ' A' ' 49' ' ' ALA . 23.4 p -79.83 6.5 10.88 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.848 -179.568 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 64.87 31.83 11.26 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-O 120.861 0.362 . . . . 0.0 111.121 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 79.61 26.07 57.38 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.673 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.64 ' HB3' ' HB ' ' A' ' 46' ' ' THR . . . -70.81 -32.12 69.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.912 0.387 . . . . 0.0 110.993 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.521 HD13 ' SD ' ' A' ' 1' ' ' MET . 3.5 mt -118.72 117.76 29.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.736 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 6.9 ttpp -79.92 119.49 22.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.073 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.555 ' CE2' ' HB3' ' A' ' 39' ' ' ALA . 12.0 t80 -61.71 139.7 58.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.028 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.41 ' O ' ' CD2' ' A' ' 57' ' ' TYR . 17.7 mm-40 -133.94 126.19 29.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.693 179.719 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -89.16 46.33 1.37 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.183 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -90.16 -54.72 3.9 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.64 179.672 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -88.61 -18.67 27.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.197 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.517 ' CD2' ' CE1' ' A' ' 52' ' ' TYR . 22.7 m-85 -79.86 -23.86 41.65 Favored 'General case' 0 CA--C 1.528 0.127 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.981 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 7.1 tpm_? . . . . . 0 C--O 1.235 0.313 0 CA-C-O 121.004 0.431 . . . . 0.0 110.695 -179.895 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.543 ' HB3' HD11 ' A' ' 34' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.855 0.359 . . . . 0.0 111.11 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -89.14 147.35 24.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.632 ' CE ' HD11 ' A' ' 7' ' ' ILE . 7.6 tttt -57.12 -27.14 61.55 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.064 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.66 -48.39 79.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.019 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -61.0 -51.77 67.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.945 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.531 HG13 HD22 ' A' ' 42' ' ' LEU . 3.0 t -54.49 -52.56 38.95 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.434 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.17 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.632 HD11 ' CE ' ' A' ' 3' ' ' LYS . 57.7 mt -57.66 -27.92 30.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.14 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.36 -28.12 52.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.996 0.427 . . . . 0.0 110.45 179.681 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.521 ' CE1' HG22 ' A' ' 46' ' ' THR . 11.0 t-80 -85.33 -30.54 23.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.542 179.812 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.576 ' CG ' HG22 ' A' ' 16' ' ' VAL . 47.6 m-85 -94.38 -27.67 15.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.157 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 88.37 -52.63 4.06 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.279 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.408 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 0.8 OUTLIER -129.98 148.05 51.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.729 0.299 . . . . 0.0 110.674 179.828 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -56.55 -53.84 52.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.994 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.99 -31.57 3.3 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.309 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 12' ' ' THR . . . -61.8 -53.76 51.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.886 179.811 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.576 HG22 ' CG ' ' A' ' 10' ' ' PHE . 1.2 t -55.62 -41.02 62.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.077 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.32 -37.25 82.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.09 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.17 22.28 3.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.461 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.762 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . -125.58 -48.86 1.66 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.795 0.331 . . . . 0.0 111.096 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.91 HD23 HG21 ' A' ' 45' ' ' VAL . 11.2 mt -79.97 -30.81 39.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 113.14 27.73 3.59 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.49 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.427 HD12 ' HB3' ' A' ' 26' ' ' ALA . 30.6 pt -122.05 -178.9 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.882 0.372 . . . . 0.0 110.999 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 60.7 p -93.83 162.47 13.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -59.74 -32.15 70.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.853 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.2 -38.91 88.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.137 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.427 ' HB3' HD12 ' A' ' 22' ' ' ILE . . . -62.58 -38.11 88.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.146 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.8 t -67.94 -50.78 56.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.094 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.4 m -61.76 -29.71 70.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.941 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -71.84 -22.19 61.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.335 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.516 ' CE3' HG22 ' A' ' 34' ' ' ILE . 46.8 m0 -53.48 125.89 19.57 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.841 0.353 . . . . 0.0 111.063 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.7 mtmm -80.09 -163.49 0.55 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.624 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -49.58 -27.96 5.09 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.652 0.263 . . . . 0.0 110.991 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.529 HG12 ' HE1' ' A' ' 57' ' ' TYR . 16.1 t -127.91 127.15 67.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.839 0.352 . . . . 0.0 110.956 179.752 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.557 HD13 ' CD1' ' A' ' 42' ' ' LEU . 3.8 pt -57.42 154.61 22.55 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.398 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -55.58 162.76 5.96 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.556 2.171 . . . . 0.0 112.26 179.763 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.34 -54.08 28.83 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.263 -179.758 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.86 -19.3 64.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.558 -179.595 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -79.66 -45.46 19.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.836 0.35 . . . . 0.0 110.276 179.698 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.871 ' HA ' HD12 ' A' ' 42' ' ' LEU . . . -60.15 -28.44 67.91 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.003 179.564 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.413 ' O ' HD12 ' A' ' 44' ' ' ILE . 92.0 t80 -74.07 -45.46 49.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.99 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.842 ' O ' HG23 ' A' ' 45' ' ' VAL . 0.3 OUTLIER -71.07 -30.02 66.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 -179.849 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.871 HD12 ' HA ' ' A' ' 39' ' ' ALA . 11.8 mt -58.59 -43.45 89.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.06 -179.746 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 59.1 tt0 -49.3 -60.34 2.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.913 0.387 . . . . 0.0 110.77 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.635 ' H ' HD12 ' A' ' 44' ' ' ILE . 3.6 mp -56.14 -46.34 81.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.501 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.91 HG21 HD23 ' A' ' 20' ' ' LEU . 19.6 t -63.28 -35.75 73.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.51 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.635 ' HB ' ' HB3' ' A' ' 49' ' ' ALA . 70.7 p -87.58 11.7 14.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.7 -179.762 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 60.83 28.17 17.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.686 0.279 . . . . 0.0 111.143 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 83.35 29.69 32.63 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.665 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.635 ' HB3' ' HB ' ' A' ' 46' ' ' THR . . . -76.82 -42.3 40.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.841 0.353 . . . . 0.0 110.98 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' A' ' 50' ' ' LEU . 28.4 mt -108.21 125.58 51.81 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.842 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.06 105.73 13.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.988 -179.797 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -65.37 135.02 54.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.656 179.77 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -130.66 102.73 6.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.04 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -59.78 -22.59 62.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.952 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 13.0 p30 -57.45 -34.78 69.33 Favored 'General case' 0 C--O 1.224 -0.25 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.833 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -92.67 14.03 18.29 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.023 179.663 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.529 ' HE1' HG12 ' A' ' 33' ' ' VAL . 61.6 m-85 -140.43 22.88 2.35 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.787 0.327 . . . . 0.0 110.906 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 15.8 mtt180 . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.928 -179.875 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.598 ' HG2' HD11 ' A' ' 34' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.944 0.402 . . . . 0.0 111.175 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -76.33 148.57 37.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.02 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.622 ' HE2' HD12 ' A' ' 7' ' ' ILE . 0.4 OUTLIER -70.27 -32.5 70.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.143 -179.937 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 16.3 ttpp -59.24 -19.97 50.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.495 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.55 -48.17 9.82 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.702 0.287 . . . . 0.0 111.252 -179.752 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.58 HG21 HG21 ' A' ' 34' ' ' ILE . 3.1 t -53.84 -44.74 61.34 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 CA-C-O 120.846 0.355 . . . . 0.0 111.184 -179.753 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.622 HD12 ' HE2' ' A' ' 3' ' ' LYS . 99.6 mt -70.34 -32.81 51.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.981 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.45 -25.37 50.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.602 179.676 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.6 t60 -84.07 -27.41 28.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.703 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.436 ' CD2' HG13 ' A' ' 16' ' ' VAL . 4.3 m-85 -91.5 -49.94 6.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.992 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 121.03 -29.04 5.9 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.488 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -152.4 179.15 8.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.767 0.318 . . . . 0.0 110.873 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 59.2 mt-30 -84.18 -44.54 13.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.894 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 6.9 ttm180 -59.16 -30.86 68.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.931 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.28 -35.28 79.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.072 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.487 HG11 HG12 ' A' ' 6' ' ' VAL . 0.0 OUTLIER -82.37 -35.75 13.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 179.917 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.552 ' HB1' ' O ' ' A' ' 22' ' ' ILE . . . -68.14 -27.38 66.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.252 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.7 -30.94 22.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.919 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.724 ' HB1' HG21 ' A' ' 45' ' ' VAL . . . -68.35 -49.49 59.92 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.165 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.608 HD22 ' HG3' ' A' ' 41' ' ' ARG . 20.6 mt -80.03 -33.6 39.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 106.2 27.29 5.65 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.658 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.552 ' O ' ' HB1' ' A' ' 17' ' ' ALA . 24.8 pt -112.44 -179.99 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.838 0.351 . . . . 0.0 111.068 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -88.95 161.49 16.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -59.05 -31.35 68.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.975 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.61 -41.54 92.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.04 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.11 -45.07 83.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.118 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.428 HG13 ' CZ3' ' A' ' 30' ' ' TRP . 51.5 t -62.96 -42.05 95.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 76.7 p -71.88 -30.94 65.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.995 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.3 -10.55 59.56 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.545 179.825 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.434 ' CD1' ' HD3' ' A' ' 35' ' ' PRO . 21.1 m0 -58.61 130.29 46.15 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.755 0.312 . . . . 0.0 110.699 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.7 mtmm -81.91 -168.46 1.93 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.272 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -48.2 -37.89 16.96 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.771 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 24.3 t -118.07 122.97 70.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.662 179.503 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.616 HD12 ' HA ' ' A' ' 39' ' ' ALA . 7.9 pt -55.82 157.42 7.95 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.425 -179.643 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.434 ' HD3' ' CD1' ' A' ' 30' ' ' TRP . 74.9 Cg_exo -49.11 166.52 0.17 Allowed 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.777 2.318 . . . . 0.0 112.76 -179.714 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.426 ' HG2' ' OH ' ' A' ' 52' ' ' TYR . 6.0 tm-20 -74.05 -36.35 64.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.305 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.8 mttt -90.04 -19.61 24.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.723 -179.496 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -79.75 -41.28 26.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.941 0.401 . . . . 0.0 110.665 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.616 ' HA ' HD12 ' A' ' 34' ' ' ILE . . . -64.52 -24.66 67.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.21 179.643 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -67.67 -75.34 0.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.276 -179.617 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.608 ' HG3' HD22 ' A' ' 20' ' ' LEU . 15.4 ptt180 -51.86 -25.33 7.68 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.326 -179.68 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.442 HD12 ' HA ' ' A' ' 39' ' ' ALA . 9.2 mt -57.74 -37.3 73.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.867 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -63.47 -30.79 71.86 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.884 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.7 mt -79.01 -49.45 20.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.185 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.724 HG21 ' HB1' ' A' ' 19' ' ' ALA . 0.4 OUTLIER -60.09 -39.34 80.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.213 -179.825 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.401 ' N ' ' CG1' ' A' ' 45' ' ' VAL . 72.8 p -82.1 26.51 0.52 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.783 -0.644 . . . . 0.0 112.066 -179.324 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 50.52 27.14 2.71 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.76 0.314 . . . . 0.0 111.462 179.717 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 76.76 22.64 71.67 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.644 -0.788 . . . . 0.0 112.626 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.6 -54.77 38.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.86 0.362 . . . . 0.0 110.897 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.0 mt -86.96 167.25 14.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.628 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.79 125.45 44.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.923 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.516 ' CE1' ' CD2' ' A' ' 57' ' ' TYR . 13.5 t80 -72.84 130.69 41.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.129 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.471 ' O ' ' CD2' ' A' ' 57' ' ' TYR . 4.9 mt-30 -124.27 124.41 42.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.363 179.659 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -87.58 29.74 0.86 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.665 -179.549 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -90.4 -36.03 14.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.653 0.263 . . . . 0.0 110.526 179.567 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -94.81 -16.52 22.9 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.196 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.516 ' CD2' ' CE1' ' A' ' 52' ' ' TYR . 22.2 m-85 -94.31 22.0 6.45 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.1 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 38.5 mtt-85 . . . . . 0 C--N 1.329 -0.298 0 CA-C-O 120.731 0.3 . . . . 0.0 110.708 -179.601 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 32.2 tpp . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.801 0.334 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -75.44 140.55 42.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.792 179.857 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.22 -40.75 86.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.086 -179.91 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 21.8 ttpt -52.64 -40.92 63.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.242 -179.912 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -60.44 -51.46 69.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.993 179.934 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.435 ' H ' HG23 ' A' ' 6' ' ' VAL . 2.8 t -57.97 -41.75 80.97 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.219 -179.931 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 50.3 mm -69.52 -37.19 74.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.268 -179.787 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.8 -24.89 58.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.351 179.747 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.544 ' CE1' HG22 ' A' ' 46' ' ' THR . 12.4 t-80 -83.51 -25.35 31.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.655 179.808 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.408 ' CE2' ' HA ' ' A' ' 16' ' ' VAL . 3.1 m-85 -98.01 -43.76 6.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.989 -179.798 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 112.34 -27.38 10.1 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.382 -179.763 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 47.6 p -151.29 179.37 8.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.819 0.342 . . . . 0.0 110.771 179.928 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -89.01 -51.17 5.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.864 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.8 tpp180 -52.29 -29.61 24.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.1 179.855 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.15 -48.43 80.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.989 179.922 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.408 ' HA ' ' CE2' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -59.99 -32.3 49.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 -179.979 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.853 ' HB1' ' O ' ' A' ' 22' ' ' ILE . . . -63.22 -29.28 70.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.074 -179.92 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.4 mttt -76.28 -46.2 28.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.902 -179.984 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.967 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . -59.35 -47.17 86.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.141 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 8.5 mt -84.9 -30.86 24.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.71 26.61 19.48 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.382 -179.932 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.853 ' O ' ' HB1' ' A' ' 17' ' ' ALA . 42.2 pt -109.41 -178.71 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.857 0.361 . . . . 0.0 111.083 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.73 162.19 16.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 179.915 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -58.88 -30.41 67.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.956 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.48 -45.34 91.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.155 -179.943 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.719 ' HB3' HD12 ' A' ' 22' ' ' ILE . . . -58.42 -36.85 74.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.152 179.911 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.413 HG13 ' CZ3' ' A' ' 30' ' ' TRP . 45.5 t -75.63 -44.78 40.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.099 179.905 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.4 t -69.35 -30.8 68.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.862 -179.963 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -71.13 -19.75 62.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.255 179.93 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.413 ' CZ3' HG13 ' A' ' 27' ' ' VAL . 31.4 m0 -52.34 123.44 10.83 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.89 0.376 . . . . 0.0 111.106 -179.95 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.25 -165.52 0.87 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.489 -179.905 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -49.44 -31.67 10.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.131 179.963 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 24.0 t -127.34 111.66 25.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.011 0.434 . . . . 0.0 111.11 179.919 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.565 HG13 ' HB2' ' A' ' 39' ' ' ALA . 35.6 pt -58.39 159.31 12.1 Favored Pre-proline 0 C--N 1.331 -0.23 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.19 179.912 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -49.91 161.53 0.93 Allowed 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.646 2.231 . . . . 0.0 112.354 -179.912 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -69.31 -39.87 77.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.136 -179.889 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.3 mmtp -82.6 -17.47 44.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.427 -179.718 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -79.78 -48.75 13.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.789 0.328 . . . . 0.0 110.435 179.733 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.565 ' HB2' HG13 ' A' ' 34' ' ' ILE . . . -60.51 -27.58 67.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.798 179.461 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -70.32 -53.39 16.94 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.876 179.855 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.34 -26.48 61.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.052 179.948 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 42' ' ' LEU . 31.1 mt -59.31 -44.05 92.59 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.076 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.56 -46.88 70.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.012 179.917 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.476 ' N ' HD13 ' A' ' 44' ' ' ILE . 3.9 mm -59.34 -48.42 87.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.975 -179.809 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.967 HG11 ' HB1' ' A' ' 19' ' ' ALA . 7.8 m -69.49 -39.97 79.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.334 -0.393 . . . . 0.0 112.023 -179.241 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.544 HG22 ' CE1' ' A' ' 9' ' ' HIS . 79.2 p -79.77 14.67 1.63 Allowed 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -179.215 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 58.86 26.72 15.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.746 0.308 . . . . 0.0 111.28 179.625 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 73.43 40.5 47.88 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.628 179.978 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -86.0 -43.91 12.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.912 0.387 . . . . 0.0 110.991 179.968 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 10.5 mt -94.06 124.44 38.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.817 179.87 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 17.3 pttt -80.47 112.18 17.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.06 -179.761 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.506 ' CE1' ' CD2' ' A' ' 57' ' ' TYR . 10.2 t80 -61.95 117.67 6.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.916 179.774 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -99.58 115.94 30.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.934 179.968 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -90.29 34.37 0.87 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.334 -179.9 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -88.61 -45.93 9.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.827 0.346 . . . . 0.0 110.572 179.803 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -89.82 -10.07 46.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.333 179.73 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.506 ' CD2' ' CE1' ' A' ' 52' ' ' TYR . 35.0 m-85 -90.41 11.7 20.73 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.327 -179.935 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.518 -0.267 0 CA-C-O 120.76 0.314 . . . . 0.0 111.0 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.537 ' HB3' HD11 ' A' ' 34' ' ' ILE . 1.9 ttm . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.894 0.378 . . . . 0.0 111.148 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.461 ' O ' HG23 ' A' ' 6' ' ' VAL . 2.1 m-85 -86.14 138.56 31.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.488 ' HD3' HD11 ' A' ' 7' ' ' ILE . 0.1 OUTLIER -59.46 -31.4 69.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.963 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.71 -31.82 71.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.803 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 47.8 m-20 -79.4 -45.62 19.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.844 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 2' ' ' TYR . 2.8 t -56.35 -51.43 64.08 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.182 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.488 HD11 ' HD3' ' A' ' 3' ' ' LYS . 56.3 mt -58.97 -29.4 40.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.184 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.57 -26.21 54.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.977 0.418 . . . . 0.0 110.538 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.507 ' CD2' HG22 ' A' ' 46' ' ' THR . 13.4 t60 -84.65 -30.79 24.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.576 179.758 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.543 ' CE2' HG13 ' A' ' 16' ' ' VAL . 41.4 m-85 -94.68 -29.78 14.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.193 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 87.86 -52.62 4.19 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.136 -179.656 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 20.8 p -125.24 135.37 52.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.782 0.325 . . . . 0.0 110.472 179.551 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -50.22 -48.84 54.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.298 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 12.0 mtp180 -47.97 -32.08 6.05 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.181 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.35 -50.84 64.07 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.077 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.543 HG13 ' CE2' ' A' ' 10' ' ' PHE . 0.8 OUTLIER -55.62 -46.17 79.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.071 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.8 ' HB1' ' O ' ' A' ' 22' ' ' ILE . . . -60.0 -33.21 71.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.097 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -75.01 -30.09 61.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.941 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.811 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . -70.19 -49.47 49.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.022 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.743 HD21 ' HG ' ' A' ' 42' ' ' LEU . 9.1 mt -80.01 -33.62 39.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 106.66 27.61 5.41 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.592 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.8 ' O ' ' HB1' ' A' ' 17' ' ' ALA . 29.9 pt -115.42 -179.54 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.829 0.347 . . . . 0.0 111.098 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.2 m -88.08 162.95 16.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 26.0 p-10 -63.14 -32.16 73.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.96 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.1 -43.51 95.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.94 -38.76 79.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.139 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 25.7 t -63.92 -52.12 60.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.169 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.63 -33.53 75.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.32 -21.28 66.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.246 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.676 ' CE3' HG22 ' A' ' 34' ' ' ILE . 48.0 m0 -54.21 165.99 0.45 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.201 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.9 mttm -121.39 -163.64 1.06 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.646 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -49.29 -28.22 4.57 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.046 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.7 t -129.75 116.69 39.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 179.579 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.676 HG22 ' CE3' ' A' ' 30' ' ' TRP . 8.9 pt -56.82 155.11 15.84 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.264 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -50.79 159.55 2.28 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.555 2.17 . . . . 0.0 112.42 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -67.84 -35.04 77.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.1 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -83.19 -23.79 32.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.309 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -79.82 -42.16 24.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.815 0.34 . . . . 0.0 110.342 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.545 ' HA ' HD12 ' A' ' 34' ' ' ILE . . . -64.35 -27.0 68.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.73 179.445 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 89.7 t80 -66.54 -69.11 0.32 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.029 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.3 -28.62 59.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.161 -179.763 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.743 ' HG ' HD21 ' A' ' 20' ' ' LEU . 10.9 mt -59.06 -33.31 70.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.062 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 55.7 tt0 -68.65 -20.95 64.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.329 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.8 mt -88.36 -50.24 13.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.869 0.366 . . . . 0.0 111.376 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.811 HG11 ' HB1' ' A' ' 19' ' ' ALA . 2.5 m -58.69 -37.35 65.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.301 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.507 HG22 ' CD2' ' A' ' 9' ' ' HIS . 70.5 p -80.03 5.57 13.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.798 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.422 ' HB3' ' O ' ' A' ' 46' ' ' THR . . . 67.53 33.99 4.85 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-O 120.803 0.335 . . . . 0.0 110.997 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 76.06 25.88 65.58 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.608 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.84 -62.38 1.91 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.928 0.394 . . . . 0.0 111.016 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.7 mt -95.62 123.84 39.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.742 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.99 119.35 22.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.921 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.473 ' CE1' ' CD2' ' A' ' 57' ' ' TYR . 3.6 t80 -68.31 133.89 49.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.104 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.44 142.29 48.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.491 179.773 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -86.06 45.12 1.19 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.345 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -90.34 -62.0 1.56 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.847 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -85.07 -7.47 59.09 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.703 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.473 ' CD2' ' CE1' ' A' ' 52' ' ' TYR . 17.6 m-85 -106.49 30.71 5.78 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.526 -0.307 . . . . 0.0 110.898 -179.709 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.65 99.52 5.39 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.932 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -135.05 81.62 1.91 Allowed 'General case' 0 N--CA 1.449 -0.479 0 CA-C-O 120.924 0.393 . . . . 0.0 110.911 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -155.06 63.86 0.64 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.073 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.141 0 CA-C-O 118.319 -0.848 . . . . 0.0 111.165 179.879 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.473 ' HB3' HD11 ' A' ' 34' ' ' ILE . 10.1 ttm . . . . . 0 N--CA 1.484 1.258 0 CA-C-O 120.968 0.414 . . . . 0.0 111.27 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 74.4 m-85 -91.0 145.9 24.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.851 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 5.1 ttpm? -54.53 -29.79 51.8 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.938 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 69.0 tttt -61.48 -40.48 94.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.749 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -65.91 -53.84 34.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.935 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.3 t -54.06 -51.04 50.18 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.429 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.085 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 45.3 mt -60.91 -26.43 38.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.977 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.84 -27.67 55.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.365 179.714 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.42 ' CE1' HG22 ' A' ' 46' ' ' THR . 15.3 t-80 -85.8 -33.45 21.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.588 179.768 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.719 ' CE2' HG13 ' A' ' 16' ' ' VAL . 40.4 m-85 -90.45 -38.24 13.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.182 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.28 -36.44 3.81 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.196 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.9 p -145.26 143.84 30.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.734 0.302 . . . . 0.0 110.571 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -52.82 -49.17 66.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.185 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -48.41 -38.96 20.97 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.432 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.92 -48.09 83.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.041 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.719 HG13 ' CE2' ' A' ' 10' ' ' PHE . 0.4 OUTLIER -59.07 -49.12 84.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.058 -179.885 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.646 ' HB1' ' O ' ' A' ' 22' ' ' ILE . . . -58.16 -38.77 77.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.192 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.96 -29.51 66.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.029 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -80.89 -44.77 17.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.187 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 64.9 mt -79.92 -30.73 40.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.929 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 105.76 -7.64 42.21 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.869 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.646 ' O ' ' HB1' ' A' ' 17' ' ' ALA . 37.8 pt -80.0 177.71 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-O 120.861 0.363 . . . . 0.0 111.115 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.9 m -85.57 159.07 19.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -59.69 -30.46 68.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.929 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.6 -38.69 87.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.107 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.565 ' HB3' HD12 ' A' ' 22' ' ' ILE . . . -59.69 -43.55 94.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.097 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 62.4 t -69.18 -34.54 63.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.081 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.6 p -72.9 -31.69 64.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -74.45 -16.23 60.87 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.294 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 17.1 m0 -52.45 125.97 17.91 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.785 0.326 . . . . 0.0 111.178 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.5 mmmt -80.23 -163.78 0.6 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.624 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -51.16 -33.68 28.01 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.846 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.528 HG12 ' HE1' ' A' ' 57' ' ' TYR . 19.4 t -126.15 130.19 72.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.986 0.422 . . . . 0.0 110.992 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.473 HD11 ' HB3' ' A' ' 1' ' ' MET . 35.1 pt -66.63 162.27 52.4 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.215 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_exo -56.84 161.68 9.97 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.407 2.071 . . . . 0.0 111.945 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.402 ' CG ' ' HB3' ' A' ' 57' ' ' TYR . 4.2 tm-20 -68.36 -32.74 73.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.44 -179.741 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -88.95 -17.41 29.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.683 -179.57 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -79.76 -41.72 26.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.88 0.371 . . . . 0.0 110.367 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.636 ' HA ' HD12 ' A' ' 42' ' ' LEU . . . -59.84 -27.27 66.5 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.154 179.574 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -74.58 -46.16 40.54 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.155 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.4 mtp180 -62.57 -31.9 72.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.384 -179.692 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.636 HD12 ' HA ' ' A' ' 39' ' ' ALA . 86.2 mt -58.75 -40.84 85.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.217 -179.685 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -61.43 -18.16 57.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.471 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.8 mt -92.58 -50.13 12.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.833 0.349 . . . . 0.0 111.41 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.442 HG23 HG23 ' A' ' 46' ' ' THR . 3.4 m -64.25 -38.95 83.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.256 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.567 ' HB ' ' HB3' ' A' ' 49' ' ' ALA . 43.9 p -80.04 4.79 16.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.739 -179.735 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 65.29 31.19 10.78 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.981 0.42 . . . . 0.0 111.023 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.34 24.92 53.06 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.632 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.567 ' HB3' ' HB ' ' A' ' 46' ' ' THR . . . -66.9 -55.75 13.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.872 0.367 . . . . 0.0 111.023 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.418 ' CD1' HG21 ' A' ' 46' ' ' THR . 4.8 mp -91.07 132.17 36.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.812 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.5 mppt? -84.68 97.06 9.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.005 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.436 ' HA ' ' HE3' ' A' ' 1' ' ' MET . 21.5 t80 -60.82 133.68 56.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.625 179.669 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -136.52 111.12 8.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.053 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.36 -15.24 56.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.161 179.771 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 32.4 m-20 -50.61 -45.47 57.54 Favored 'General case' 0 C--O 1.223 -0.299 0 CA-C-O 120.706 0.289 . . . . 0.0 111.118 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -90.24 13.56 14.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.984 179.695 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.528 ' HE1' HG12 ' A' ' 33' ' ' VAL . 58.3 m-85 -133.18 25.32 4.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.896 0.379 . . . . 0.0 110.876 -179.831 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.17 -43.09 2.34 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.722 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -150.32 35.15 0.64 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.67 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -118.11 126.88 53.12 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.24 179.689 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.003 0 CA-C-O 118.24 -0.886 . . . . 0.0 111.156 -179.95 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.487 ' SD ' HD22 ' A' ' 50' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.488 1.45 0 CA-C-O 120.863 0.364 . . . . 0.0 111.227 . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.413 ' HA ' ' HA ' ' A' ' 33' ' ' VAL . 10.5 m-85 -84.42 141.11 31.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.938 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.95 -29.14 59.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.161 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.53 -26.81 63.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.196 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -83.8 -46.58 12.05 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.994 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.594 HG21 HG21 ' A' ' 34' ' ' ILE . 3.5 t -53.35 -55.41 12.99 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.409 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.403 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 42.4 mt -56.16 -27.38 23.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.1 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.28 -28.39 47.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.017 0.437 . . . . 0.0 110.487 179.714 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.665 ' NE2' HG22 ' A' ' 46' ' ' THR . 8.2 t60 -85.57 -30.03 23.66 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.662 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.665 ' CE2' HG13 ' A' ' 16' ' ' VAL . 55.2 m-85 -96.12 -28.49 14.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.103 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 88.59 -52.23 3.97 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.041 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.9 p -133.32 141.25 47.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.731 0.3 . . . . 0.0 110.534 179.577 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -50.47 -47.08 57.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.092 -179.773 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.2 ttp85 -47.13 -32.96 4.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.315 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.409 ' HB3' ' HB3' ' A' ' 10' ' ' PHE . . . -65.53 -50.96 63.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.057 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.665 HG13 ' CE2' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -59.84 -41.85 87.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.594 ' HB1' ' O ' ' A' ' 22' ' ' ILE . . . -57.81 -33.15 68.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.105 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.3 ttmm -78.76 -30.28 45.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.924 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.623 ' HB1' ' CB ' ' A' ' 45' ' ' VAL . . . -74.44 -48.17 29.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.101 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.677 HD21 ' HG ' ' A' ' 42' ' ' LEU . 6.5 mt -80.08 -33.11 39.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 98.33 27.94 8.37 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.508 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.594 ' O ' ' HB1' ' A' ' 17' ' ' ALA . 39.4 pt -113.78 179.89 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.87 0.367 . . . . 0.0 111.047 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 39.8 m -80.46 149.9 29.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 19.0 p-10 -60.23 -31.79 70.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.881 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.34 -42.32 98.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.098 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.66 -35.56 74.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.038 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.502 HG13 ' CZ3' ' A' ' 30' ' ' TRP . 39.7 t -66.52 -50.76 64.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.062 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.86 -30.9 71.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -67.43 -19.28 65.35 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.307 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.502 ' CZ3' HG13 ' A' ' 27' ' ' VAL . 33.7 m0 -52.04 148.82 5.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.741 0.305 . . . . 0.0 111.182 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.4 mttt -96.04 -163.9 1.1 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.3 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.406 ' O ' ' CD2' ' A' ' 2' ' ' TYR . 8.4 mt-10 -51.04 -29.14 11.9 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.935 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.413 ' HA ' ' HA ' ' A' ' 2' ' ' TYR . 19.7 t -126.9 136.66 60.17 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.408 0 CA-C-N 116.587 -0.279 . . . . 0.0 110.939 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.594 HG21 HG21 ' A' ' 6' ' ' VAL . 8.3 pt -70.49 152.51 95.4 Favored Pre-proline 0 C--N 1.331 -0.202 0 CA-C-O 120.846 0.355 . . . . 0.0 111.225 -179.807 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_exo -51.78 -175.96 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.684 2.256 . . . . 0.0 112.461 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.52 -49.41 7.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.207 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 43.8 mttp -71.35 -20.62 62.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.479 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -79.64 -46.41 17.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.88 0.372 . . . . 0.0 110.306 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.849 ' HA ' HD12 ' A' ' 42' ' ' LEU . . . -61.49 -25.72 67.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.898 179.543 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 80.2 t80 -70.54 -59.46 2.83 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.059 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.78 -29.53 70.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.224 -179.737 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.849 HD12 ' HA ' ' A' ' 39' ' ' ALA . 17.7 mt -55.14 -37.77 67.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.324 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -66.56 -23.38 66.2 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.31 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.8 mt -85.83 -49.04 15.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.787 0.327 . . . . 0.0 111.504 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.623 ' CB ' ' HB1' ' A' ' 19' ' ' ALA . 2.8 m -61.09 -37.54 77.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.403 -179.729 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.665 HG22 ' NE2' ' A' ' 9' ' ' HIS . 55.0 p -79.98 7.66 8.54 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.876 -179.651 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 65.73 30.41 10.24 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.847 0.356 . . . . 0.0 111.018 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 79.39 8.98 87.4 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.891 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.407 ' HB3' ' HB ' ' A' ' 46' ' ' THR . . . -63.74 -38.75 92.29 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.816 0.341 . . . . 0.0 110.837 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.487 HD22 ' SD ' ' A' ' 1' ' ' MET . 14.3 mt -106.78 121.9 45.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.736 179.767 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.0 135.05 36.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.916 -179.665 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -92.76 128.14 38.51 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.675 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 68.1 mm-40 -118.91 108.11 14.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.776 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -79.15 3.66 16.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.554 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 67.0 m-20 -53.28 -70.44 0.09 Allowed 'General case' 0 C--O 1.225 -0.189 0 CA-C-O 120.647 0.26 . . . . 0.0 110.847 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.0 -16.92 62.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.178 179.581 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -94.21 19.79 8.9 Favored 'General case' 0 CA--C 1.528 0.112 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.3 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -86.12 -31.01 22.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.845 0.355 . . . . 0.0 110.855 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -149.49 117.11 6.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.619 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -92.7 -66.86 0.89 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.355 -0.831 . . . . 0.0 110.967 -179.922 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.578 ' CG ' HD11 ' A' ' 34' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.922 0.392 . . . . 0.0 111.166 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.418 ' CE2' ' HG2' ' A' ' 32' ' ' GLU . 3.0 m-85 -82.71 159.34 22.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.882 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.79 -33.98 77.11 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.939 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -51.56 -45.49 63.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.225 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -60.81 -52.72 63.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.741 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.531 HG21 HG21 ' A' ' 34' ' ' ILE . 2.9 t -56.65 -49.52 77.65 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.961 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 35.3 mm -59.45 -30.85 45.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.061 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.26 -25.05 51.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.553 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.419 ' CE1' HG22 ' A' ' 46' ' ' THR . 25.5 t-80 -84.35 -31.6 24.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.57 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.474 ' CE2' HG13 ' A' ' 16' ' ' VAL . 46.0 m-85 -94.2 -41.03 9.7 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.076 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 96.15 -33.2 5.76 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.332 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.7 p -146.57 147.77 31.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.841 0.353 . . . . 0.0 110.673 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -56.9 -50.89 71.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.007 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.7 mtm105 -44.35 -42.55 6.9 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.426 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.33 -50.91 72.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.901 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.474 HG13 ' CE2' ' A' ' 10' ' ' PHE . 1.1 t -57.7 -46.91 86.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.209 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.09 -40.19 76.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.158 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.19 -28.43 63.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.689 ' HB1' ' CG1' ' A' ' 45' ' ' VAL . . . -75.08 -53.12 9.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.131 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.65 HD22 ' HB2' ' A' ' 41' ' ' ARG . 9.7 mt -79.87 -34.47 39.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.849 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 89.54 48.33 3.74 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.418 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.2 pt -111.73 -96.41 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.506 0.193 . . . . 0.0 111.042 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.6 m -175.87 154.75 1.55 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.799 0.333 . . . . 0.0 110.804 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.01 -19.56 44.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.093 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.34 -45.68 15.8 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.777 0.322 . . . . 0.0 111.146 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.4 ' O ' ' CD1' ' A' ' 30' ' ' TRP . . . -57.94 -44.55 87.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.124 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 46.4 t -65.07 -43.8 95.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.035 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.53 -29.44 67.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.955 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -80.81 -11.19 59.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.467 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.4 ' CD1' ' O ' ' A' ' 26' ' ' ALA . 24.2 m0 -53.97 127.78 27.71 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.882 0.372 . . . . 0.0 111.093 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.5 mttm -83.29 -166.68 1.43 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.027 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.418 ' HG2' ' CE2' ' A' ' 2' ' ' TYR . 0.2 OUTLIER -49.31 -28.04 4.48 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.696 0.284 . . . . 0.0 111.056 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.491 HG12 ' HE1' ' A' ' 57' ' ' TYR . 13.3 t -127.89 133.32 67.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.069 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.578 HD11 ' CG ' ' A' ' 1' ' ' MET . 29.8 pt -68.72 151.71 97.1 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.35 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -52.57 163.61 1.76 Allowed 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.505 2.137 . . . . 0.0 112.281 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -68.4 -44.73 74.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.171 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.1 mtpp -76.65 -19.29 57.93 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.433 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -79.72 -45.24 19.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.909 0.385 . . . . 0.0 110.384 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.5 ' HA ' HD12 ' A' ' 34' ' ' ILE . . . -61.46 -25.94 67.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.055 179.61 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 44.5 t80 -69.83 -55.18 10.5 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.912 0.387 . . . . 0.0 111.127 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.65 ' HB2' HD22 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -57.76 -28.21 63.75 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.342 -179.748 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.646 HD13 HD13 ' A' ' 50' ' ' LEU . 23.7 mt -50.43 -48.31 56.34 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.915 0.388 . . . . 0.0 111.3 -179.741 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -59.22 -20.03 50.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.375 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.7 mt -91.19 -48.44 13.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.796 0.332 . . . . 0.0 111.499 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.689 ' CG1' ' HB1' ' A' ' 19' ' ' ALA . 5.1 m -67.32 -40.56 85.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.391 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.622 ' HB ' ' HB3' ' A' ' 49' ' ' ALA . 38.6 p -79.77 2.2 23.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.667 -179.721 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 66.33 30.94 8.69 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.87 0.367 . . . . 0.0 110.996 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 83.22 26.38 44.28 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.699 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.622 ' HB3' ' HB ' ' A' ' 46' ' ' THR . . . -85.06 -38.57 19.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.882 0.372 . . . . 0.0 110.974 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.646 HD13 HD13 ' A' ' 42' ' ' LEU . 36.8 mt -99.03 124.07 43.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.851 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.2 tptt -79.91 121.53 25.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.954 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 13.6 t80 -93.48 127.4 39.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.693 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -130.75 117.05 18.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.801 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -71.95 -5.52 35.38 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.664 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 34.0 m-20 -47.37 -67.93 0.23 Allowed 'General case' 0 C--O 1.227 -0.115 0 CA-C-O 120.659 0.266 . . . . 0.0 111.183 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.11 -14.9 63.35 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.866 179.669 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.491 ' HE1' HG12 ' A' ' 33' ' ' VAL . 27.8 m-85 -99.65 24.87 7.73 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.855 0.36 . . . . 0.0 111.189 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.7 mtt85 -106.62 150.45 26.18 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.93 0.395 . . . . 0.0 110.702 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -84.84 117.99 24.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.03 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -160.03 98.41 1.32 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.086 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.311 -0.852 . . . . 0.0 111.078 -179.945 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.711 ' HG3' HD22 ' A' ' 50' ' ' LEU . 12.1 ttm . . . . . 0 N--CA 1.485 1.322 0 CA-C-O 120.817 0.342 . . . . 0.0 111.278 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.516 ' O ' HG23 ' A' ' 6' ' ' VAL . 3.1 m-85 -89.88 149.96 22.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.022 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.8 ttpm? -64.37 -36.25 83.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.3 tppt? -57.8 -42.06 83.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.996 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -63.45 -50.52 69.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.084 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 2' ' ' TYR . 2.9 t -56.07 -47.72 79.99 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.422 0 CA-C-O 120.92 0.39 . . . . 0.0 111.264 -179.773 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 80.5 mt -63.64 -35.15 71.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.164 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.34 -24.47 50.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.581 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 24.2 t-80 -83.44 -25.21 31.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.732 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.457 ' CE2' ' HA ' ' A' ' 16' ' ' VAL . 3.8 m-85 -95.74 -48.64 5.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.957 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 123.45 -28.14 5.59 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.397 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.2 p -150.71 -179.08 6.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.816 0.341 . . . . 0.0 110.784 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -86.32 -53.04 5.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.823 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.75 -28.99 52.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.967 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.401 ' HA ' ' CD ' ' A' ' 18' ' ' LYS . . . -63.63 -45.36 90.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.968 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.457 ' HA ' ' CE2' ' A' ' 10' ' ' PHE . 1.0 OUTLIER -59.51 -29.36 42.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.247 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.815 ' HB1' ' O ' ' A' ' 22' ' ' ILE . . . -74.54 -24.53 58.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.547 -179.804 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.401 ' CD ' ' HA ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -90.3 20.75 4.22 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.573 -179.844 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 1.016 ' HB1' HG21 ' A' ' 45' ' ' VAL . . . -120.7 -42.7 2.51 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.857 0.361 . . . . 0.0 111.031 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.559 HD21 ' HG ' ' A' ' 42' ' ' LEU . 3.0 mt -93.67 -29.89 15.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 109.04 35.1 2.41 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.5 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.815 ' O ' ' HB1' ' A' ' 17' ' ' ALA . 27.3 pt -123.03 -177.97 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.828 0.347 . . . . 0.0 111.114 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.419 ' O ' HG23 ' A' ' 27' ' ' VAL . 22.4 m -99.49 176.93 5.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.939 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -69.39 -29.15 66.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.964 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.37 -48.2 76.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.13 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.93 -31.2 68.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.224 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 23' ' ' SER . 45.9 t -74.86 -44.49 45.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.097 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.07 -29.8 68.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -73.61 -19.59 60.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.451 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.556 ' CD2' HG22 ' A' ' 34' ' ' ILE . 34.8 m0 -52.72 136.53 33.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.951 0.405 . . . . 0.0 111.194 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.8 mttm -86.97 -167.06 1.75 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.599 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -49.09 -29.23 4.93 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.746 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 33.5 t -130.82 116.15 33.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.738 179.705 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.556 HG22 ' CD2' ' A' ' 30' ' ' TRP . 12.5 pt -52.32 160.11 1.37 Allowed Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.361 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -49.38 176.44 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.679 2.253 . . . . 0.0 112.571 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -83.23 -31.65 26.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.007 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.36 -21.86 22.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.369 -179.834 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -79.9 -41.43 26.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.892 0.377 . . . . 0.0 110.792 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.547 ' HB2' HG13 ' A' ' 34' ' ' ILE . . . -69.08 -25.72 64.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.971 179.672 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 92.0 t80 -68.72 -59.96 2.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.961 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.416 ' HB2' HD22 ' A' ' 20' ' ' LEU . 28.7 mtt180 -56.36 -28.87 60.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.05 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.559 ' HG ' HD21 ' A' ' 20' ' ' LEU . 11.9 mt -58.3 -46.27 86.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.005 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -53.34 -28.98 31.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.171 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.0 mt -88.2 -44.18 15.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.916 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 1.016 HG21 ' HB1' ' A' ' 19' ' ' ALA . 0.3 OUTLIER -62.89 -38.93 83.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.108 179.931 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.605 ' HB ' ' HB3' ' A' ' 49' ' ' ALA . 36.4 p -79.63 2.18 23.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.765 -179.652 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.434 ' HB3' ' O ' ' A' ' 46' ' ' THR . . . 68.71 39.62 1.96 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.954 0.407 . . . . 0.0 111.271 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 71.94 25.4 74.88 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.653 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.605 ' HB3' ' HB ' ' A' ' 46' ' ' THR . . . -74.45 -50.83 16.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.887 0.375 . . . . 0.0 111.03 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.711 HD22 ' HG3' ' A' ' 1' ' ' MET . 2.8 mt -90.9 148.12 22.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.819 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.52 123.65 47.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.938 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.498 ' CE1' ' CD2' ' A' ' 57' ' ' TYR . 14.7 t80 -80.28 130.52 35.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.028 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -126.75 106.31 9.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -59.54 -20.93 59.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.195 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 33.0 m120 -52.23 -28.1 17.32 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.163 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -97.44 -25.75 15.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.191 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.498 ' CD2' ' CE1' ' A' ' 52' ' ' TYR . 24.3 m-85 -98.41 29.51 3.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.975 -179.697 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.3 ptt180 -114.91 -34.22 5.18 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.869 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 9.5 mm-40 -83.59 -50.11 8.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.791 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -135.2 118.45 16.62 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.891 0.377 . . . . 0.0 111.54 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.976 0 CA-C-O 118.247 -0.882 . . . . 0.0 111.106 -179.908 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.6 mtm . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.774 0.321 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.553 ' O ' HG23 ' A' ' 6' ' ' VAL . 3.7 m-85 -92.79 147.12 23.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.869 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 19.6 tttm -56.98 -30.61 64.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -71.04 -41.88 70.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.956 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -61.74 -52.38 64.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.131 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 2' ' ' TYR . 3.2 t -55.06 -47.52 76.97 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.341 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 98.3 mt -64.35 -32.66 58.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.107 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.55 -27.74 51.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.491 179.776 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 15.1 t-80 -84.73 -26.49 27.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.812 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.73 ' CE2' HG13 ' A' ' 16' ' ' VAL . 3.5 m-85 -92.47 -49.87 5.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.965 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.467 ' O ' HG23 ' A' ' 12' ' ' THR . . . 118.01 -27.75 7.29 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.425 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.467 HG23 ' O ' ' A' ' 11' ' ' GLY . 0.9 OUTLIER -159.69 159.22 32.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.748 0.308 . . . . 0.0 110.823 179.881 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.408 ' O ' HG23 ' A' ' 16' ' ' VAL . 3.5 pt20 -66.92 -42.18 85.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.921 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.2 ttm180 -58.54 -29.52 66.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.997 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.71 -37.92 82.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.143 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.73 HG13 ' CE2' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -75.62 -34.1 28.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.872 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.752 ' HB1' ' O ' ' A' ' 22' ' ' ILE . . . -62.85 -28.78 70.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.139 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.7 -30.78 21.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.009 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.937 ' HB1' HG21 ' A' ' 45' ' ' VAL . . . -66.96 -53.46 31.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.167 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.4 mt -79.98 -32.46 39.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.935 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 105.5 27.13 5.9 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.49 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.752 ' O ' ' HB1' ' A' ' 17' ' ' ALA . 32.7 pt -114.22 -179.2 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.771 0.32 . . . . 0.0 111.119 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 72.5 m -92.25 163.46 13.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -59.35 -30.9 68.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.26 -47.35 84.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.072 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.412 ' HB3' HD12 ' A' ' 22' ' ' ILE . . . -58.68 -36.9 74.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.104 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.425 HG13 ' CZ3' ' A' ' 30' ' ' TRP . 48.3 t -70.06 -43.44 79.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.99 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.2 p -70.91 -31.39 67.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.872 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.42 -17.45 63.01 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.528 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.437 ' CD1' ' HD3' ' A' ' 35' ' ' PRO . 24.4 m0 -52.35 150.28 4.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.083 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 27.7 mtpt -110.25 -163.52 0.86 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.648 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -49.5 -27.7 4.6 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.014 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.8 t -134.65 115.26 19.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.966 179.766 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.728 ' CD1' HD12 ' A' ' 42' ' ' LEU . 31.3 pt -56.18 160.68 4.56 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.077 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.437 ' HD3' ' CD1' ' A' ' 30' ' ' TRP . 76.5 Cg_exo -48.54 168.74 0.1 OUTLIER 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.425 2.083 . . . . 0.0 112.599 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -72.86 -44.89 60.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.274 -179.66 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.16 -13.87 58.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.648 -179.62 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -79.92 -48.87 12.73 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.774 0.321 . . . . 0.0 110.844 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.515 ' HB2' HG13 ' A' ' 34' ' ' ILE . . . -62.97 -28.07 69.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.939 179.71 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 91.3 t80 -62.84 -56.09 20.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.936 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 37.2 mtt85 -62.27 -31.05 71.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.02 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.728 HD12 ' CD1' ' A' ' 34' ' ' ILE . 12.5 mt -57.23 -48.27 79.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.131 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -52.54 -29.42 25.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.384 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.8 mt -86.65 -44.88 16.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.913 0.387 . . . . 0.0 111.118 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.937 HG21 ' HB1' ' A' ' 19' ' ' ALA . 0.3 OUTLIER -62.73 -38.8 82.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.222 -179.916 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.556 ' HB ' ' HB3' ' A' ' 49' ' ' ALA . 25.4 p -79.61 3.23 19.63 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.825 -179.635 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.455 ' HB3' ' O ' ' A' ' 46' ' ' THR . . . 69.76 29.38 4.13 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.8 0.334 . . . . 0.0 111.312 179.774 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.6 22.18 54.3 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.893 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.556 ' HB3' ' HB ' ' A' ' 46' ' ' THR . . . -66.05 -63.54 1.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.856 0.36 . . . . 0.0 110.988 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.6 mt -96.31 122.49 39.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.756 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.96 145.3 32.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.944 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -73.85 153.08 40.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.012 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.411 ' O ' ' CD2' ' A' ' 57' ' ' TYR . 63.4 mt-30 -142.76 92.88 2.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -57.34 -19.8 24.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.478 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 63.7 m-80 -46.48 -75.0 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.548 -0.297 . . . . 0.0 111.556 -179.601 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -55.63 -28.99 58.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.882 0.372 . . . . 0.0 111.596 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.411 ' CD2' ' O ' ' A' ' 53' ' ' GLN . 24.5 m-85 -80.22 -12.76 59.6 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.617 -179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.448 HH12 ' HB2' ' A' ' 60' ' ' ALA . 1.2 tmt_? -79.54 88.87 5.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.05 0.453 . . . . 0.0 111.101 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -126.45 118.83 25.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.007 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.448 ' HB2' HH12 ' A' ' 58' ' ' ARG . . . -75.51 176.49 7.52 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.045 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.847 0 CA-C-O 118.128 -0.939 . . . . 0.0 111.045 -179.815 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.434 ' CG ' HD11 ' A' ' 34' ' ' ILE . 2.0 ptt? . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.851 0.358 . . . . 0.0 111.144 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -88.15 159.22 18.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.97 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.811 ' NZ ' HD11 ' A' ' 7' ' ' ILE . 5.2 tttm -69.51 -30.48 68.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.919 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.2 tttm -62.57 -41.03 98.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.992 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -61.43 -47.7 84.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.049 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.588 HG13 HD22 ' A' ' 42' ' ' LEU . 2.7 t -57.23 -43.35 81.7 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.425 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.307 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.811 HD11 ' NZ ' ' A' ' 3' ' ' LYS . 60.6 mt -70.96 -35.18 58.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.131 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.37 -23.3 54.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.577 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.453 ' NE2' HG22 ' A' ' 46' ' ' THR . 6.2 t60 -84.07 -28.38 27.62 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.775 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.462 ' CE2' ' HA ' ' A' ' 16' ' ' VAL . 3.6 m-85 -93.21 -48.86 6.26 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.95 -179.686 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 108.58 -28.38 11.68 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.414 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.1 p -140.15 162.3 35.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.803 0.335 . . . . 0.0 110.949 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -77.75 -52.82 8.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.844 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -51.15 -30.57 16.99 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.054 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.07 -48.18 74.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.941 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.462 ' HA ' ' CE2' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -60.22 -33.87 55.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.854 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.854 ' HB1' ' O ' ' A' ' 22' ' ' ILE . . . -77.87 -27.26 49.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.181 -179.818 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.5 ttmt -80.95 -28.8 35.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.047 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.92 -51.69 30.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.191 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 14.9 mt -79.95 -34.05 39.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.052 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 109.72 24.57 5.77 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.601 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.854 ' O ' ' HB1' ' A' ' 17' ' ' ALA . 28.6 pt -112.32 -177.1 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.734 0.302 . . . . 0.0 111.086 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 57.6 p -95.1 158.81 15.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.791 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -58.07 -29.96 65.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.972 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.74 -44.23 96.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.174 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.36 -44.8 92.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.093 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.461 HG13 ' CZ3' ' A' ' 30' ' ' TRP . 58.8 t -61.63 -41.34 89.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.123 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.3 p -67.42 -29.02 68.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.844 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -70.34 -21.06 62.94 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.268 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.461 ' CZ3' HG13 ' A' ' 27' ' ' VAL . 32.8 m0 -52.35 137.85 28.17 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.149 0.499 . . . . 0.0 111.279 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.5 pttt -93.32 -166.92 1.61 Allowed 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.997 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -49.18 -28.13 4.2 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-O 120.86 0.362 . . . . 0.0 111.21 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.563 HG12 ' OH ' ' A' ' 57' ' ' TYR . 14.5 t -128.42 119.93 51.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.792 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.454 HG21 HG21 ' A' ' 6' ' ' VAL . 5.5 pt -60.22 156.12 41.61 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.35 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -53.33 -179.9 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.633 2.222 . . . . 0.0 112.289 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -81.45 -52.35 7.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.841 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 42.5 mtpt -67.06 -20.11 65.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.229 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -79.55 -49.07 12.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.926 0.393 . . . . 0.0 110.075 179.574 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.541 ' HA ' HD12 ' A' ' 42' ' ' LEU . . . -58.72 -29.01 66.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.886 179.429 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 45.4 t80 -78.4 -53.14 7.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.953 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 56.7 mtt-85 -66.06 -21.79 66.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.259 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.588 HD22 HG13 ' A' ' 6' ' ' VAL . 14.1 mt -67.28 -30.49 70.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.283 -179.6 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -62.62 -51.17 68.35 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.873 0.368 . . . . 0.0 110.631 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.649 ' H ' HD12 ' A' ' 44' ' ' ILE . 3.6 mp -60.4 -46.87 94.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.008 -0.542 . . . . 0.0 112.244 -179.625 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.453 HG22 ' HA ' ' A' ' 42' ' ' LEU . 14.6 m -59.11 -42.49 86.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.814 0.34 . . . . 0.0 111.534 -179.349 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.776 HG21 HD12 ' A' ' 50' ' ' LEU . 40.1 p -83.43 39.06 0.64 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.845 -179.379 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 49.26 27.22 1.79 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.705 0.288 . . . . 0.0 111.668 179.574 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 76.8 3.26 79.42 Favored Glycine 0 CA--C 1.519 0.322 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.95 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.35 -48.65 80.35 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.889 0.376 . . . . 0.0 111.133 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.776 HD12 HG21 ' A' ' 46' ' ' THR . 29.1 mt -79.94 113.48 18.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.687 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.93 125.02 29.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.018 -179.793 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.43 ' CZ ' ' HG2' ' A' ' 54' ' ' GLU . 10.9 t80 -81.82 127.89 33.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.72 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -121.49 127.46 51.07 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.585 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.43 ' HG2' ' CZ ' ' A' ' 52' ' ' TYR . 33.2 mt-10 -88.29 24.04 2.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.611 -179.67 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.8 p-10 -60.68 -52.83 63.47 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 120.928 0.394 . . . . 0.0 110.225 179.72 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -96.26 14.72 23.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.455 179.013 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.563 ' OH ' HG12 ' A' ' 33' ' ' VAL . 11.4 m-85 -132.21 27.42 4.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.719 -179.634 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -98.61 177.12 5.41 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 121.002 0.429 . . . . 0.0 110.737 -179.547 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -115.62 10.72 15.63 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.416 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . 63.04 -81.14 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.139 0 CA-C-O 121.111 0.482 . . . . 0.0 110.935 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.236 0 CA-C-O 118.092 -0.956 . . . . 0.0 111.116 -179.713 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.48 ' HB3' HD11 ' A' ' 34' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.314 0 CA-C-O 120.818 0.342 . . . . 0.0 111.236 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.428 ' O ' HG23 ' A' ' 6' ' ' VAL . 3.3 m-85 -96.31 146.58 24.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.76 ' HE2' HD11 ' A' ' 7' ' ' ILE . 9.4 tttt -57.99 -29.45 65.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.048 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.4 ttpm? -61.92 -47.24 85.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.023 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -60.68 -51.38 69.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.91 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 2' ' ' TYR . 3.2 t -53.46 -51.67 39.58 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.354 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.76 HD11 ' HE2' ' A' ' 3' ' ' LYS . 54.1 mt -59.24 -26.96 35.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.184 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.77 -28.38 55.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.912 0.387 . . . . 0.0 110.362 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.47 ' CE1' ' HB ' ' A' ' 46' ' ' THR . 24.1 t60 -86.05 -31.46 21.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.678 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.688 ' CE2' HG13 ' A' ' 16' ' ' VAL . 42.7 m-85 -92.69 -29.45 16.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.094 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 90.56 -49.35 3.15 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.262 -179.685 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -132.86 140.06 47.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.842 0.353 . . . . 0.0 110.63 179.742 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -49.01 -51.89 28.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.268 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.42 -36.55 10.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.342 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.02 -51.02 71.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.923 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.688 HG13 ' CE2' ' A' ' 10' ' ' PHE . 0.6 OUTLIER -54.58 -31.68 23.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.156 179.868 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.765 ' HB1' ' O ' ' A' ' 22' ' ' ILE . . . -64.94 -26.08 68.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.359 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.0 mttm -76.12 -52.25 10.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.935 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.682 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . -59.28 -39.01 81.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.05 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.99 -30.8 19.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.012 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 86.86 28.47 26.09 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.557 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.765 ' O ' ' HB1' ' A' ' 17' ' ' ALA . 24.9 pt -111.55 -179.17 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.839 0.352 . . . . 0.0 111.066 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 28.9 t -87.06 160.56 18.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -61.52 -31.61 71.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.33 -44.12 84.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.188 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.68 -30.24 65.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.216 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.469 HG13 ' CZ3' ' A' ' 30' ' ' TRP . 27.4 t -75.48 -56.71 7.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.193 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.98 -26.62 62.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.025 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -75.19 -17.03 60.45 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-O 121.031 0.443 . . . . 0.0 111.684 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.469 ' CZ3' HG13 ' A' ' 27' ' ' VAL . 32.4 m0 -53.56 129.68 33.44 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.911 0.386 . . . . 0.0 111.065 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.8 pttt -80.12 -168.34 1.62 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.628 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -47.94 -30.73 4.48 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.093 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.488 HG11 ' HB1' ' A' ' 56' ' ' ALA . 27.6 t -128.34 116.84 43.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.043 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.587 ' CD1' ' HB2' ' A' ' 39' ' ' ALA . 10.7 pt -51.97 161.1 1.0 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.36 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.419 ' HD3' ' CD1' ' A' ' 30' ' ' TRP . 52.1 Cg_exo -53.14 164.1 1.93 Allowed 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.623 2.215 . . . . 0.0 112.538 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.457 ' HG2' ' OH ' ' A' ' 52' ' ' TYR . 1.1 tm-20 -72.68 -35.84 67.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.096 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.2 mmtp -87.75 -19.33 27.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.53 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -79.86 -43.93 21.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.825 0.345 . . . . 0.0 110.668 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.587 ' HB2' ' CD1' ' A' ' 34' ' ' ILE . . . -64.97 -26.65 68.39 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.937 179.706 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -72.0 -37.19 69.86 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.973 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.4 ' O ' HG22 ' A' ' 45' ' ' VAL . 27.3 mtp180 -78.0 -29.0 49.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.031 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.598 ' O ' HG23 ' A' ' 46' ' ' THR . 53.8 mt -66.2 -32.6 74.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.173 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -66.96 -22.63 65.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.314 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.8 mt -88.56 -51.98 11.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.825 0.345 . . . . 0.0 111.319 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.682 HG11 ' HB1' ' A' ' 19' ' ' ALA . 6.4 m -59.91 -39.5 80.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.458 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.598 HG23 ' O ' ' A' ' 42' ' ' LEU . 30.7 p -79.75 12.78 2.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.011 -0.54 . . . . 0.0 112.121 -179.375 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 61.32 30.71 19.22 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.819 0.342 . . . . 0.0 111.122 179.771 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 72.76 22.28 79.15 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.696 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.34 -32.41 70.06 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.89 0.376 . . . . 0.0 110.819 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.5 mt -116.95 126.42 52.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.588 179.728 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 7.8 tttt -79.92 113.11 17.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.038 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.502 ' CZ ' ' CD2' ' A' ' 57' ' ' TYR . 14.4 t80 -61.15 118.57 6.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -106.25 112.53 25.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.973 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -62.04 -17.89 58.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.353 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 18.6 m-20 -48.92 -38.32 22.48 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 120.815 0.341 . . . . 0.0 111.131 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.488 ' HB1' HG11 ' A' ' 33' ' ' VAL . . . -98.23 17.64 18.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.3 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.502 ' CD2' ' CZ ' ' A' ' 52' ' ' TYR . 28.3 m-85 -146.45 29.59 1.04 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.05 0.453 . . . . 0.0 110.913 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.42 157.2 23.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.935 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.52 -178.12 4.85 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.339 0.59 . . . . 0.0 110.684 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.27 -62.59 1.33 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.214 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.324 -0.846 . . . . 0.0 111.033 179.973 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.658 ' HG2' HD13 ' A' ' 50' ' ' LEU . 1.4 mtm . . . . . 0 N--CA 1.485 1.3 0 CA-C-O 120.851 0.358 . . . . 0.0 111.151 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.559 ' O ' HG23 ' A' ' 6' ' ' VAL . 3.3 m-85 -93.46 143.7 26.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 18.5 tttt -58.22 -44.22 88.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.955 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.96 -35.74 35.11 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.222 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 -75.18 -53.37 8.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.817 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.559 HG23 ' O ' ' A' ' 2' ' ' TYR . 3.6 t -53.74 -49.61 56.42 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.171 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.434 HD12 ' OE1' ' A' ' 13' ' ' GLN . 40.0 mm -59.12 -33.08 49.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.083 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.2 -24.98 54.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.664 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.53 ' CE1' HG22 ' A' ' 46' ' ' THR . 12.4 t-80 -82.65 -31.53 28.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.331 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.54 ' CE2' HG13 ' A' ' 16' ' ' VAL . 37.9 m-85 -94.36 -30.29 14.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.254 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 92.03 -48.72 2.73 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.715 -0.755 . . . . 0.0 111.998 -179.563 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.4 p -124.09 -179.36 4.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.821 0.343 . . . . 0.0 110.44 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.434 ' OE1' HD12 ' A' ' 7' ' ' ILE . 3.9 mm100 -86.9 -55.66 3.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.929 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -48.63 -29.78 4.71 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.217 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.76 -52.01 62.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.995 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.54 HG13 ' CE2' ' A' ' 10' ' ' PHE . 1.3 t -54.81 -45.59 74.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.089 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.88 ' HB1' ' O ' ' A' ' 22' ' ' ILE . . . -66.66 -30.95 71.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.077 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.18 -30.36 69.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.943 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.436 ' O ' HG11 ' A' ' 45' ' ' VAL . . . -89.72 -38.63 13.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.154 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.01 -27.91 39.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.989 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 99.35 -11.33 61.65 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.742 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.88 ' O ' ' HB1' ' A' ' 17' ' ' ALA . 41.5 pt -79.87 -179.23 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.796 0.331 . . . . 0.0 111.249 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.6 m -95.53 164.36 12.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.978 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -60.19 -31.1 69.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.963 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.39 -47.66 84.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.128 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.79 -39.48 85.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.06 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.472 HG22 HD11 ' A' ' 22' ' ' ILE . 45.1 t -70.13 -44.54 78.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.162 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 35.4 t -67.85 -30.64 70.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.946 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -75.18 -12.14 60.23 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.551 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.729 ' CD2' HG22 ' A' ' 34' ' ' ILE . 29.5 m0 -55.17 170.98 0.17 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.87 0.367 . . . . 0.0 110.983 -179.828 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.7 mmmp? -134.22 -163.8 1.42 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.384 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -47.99 -28.91 3.02 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.091 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 26.6 t -134.96 112.46 14.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.106 179.646 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.729 HG22 ' CD2' ' A' ' 30' ' ' TRP . 8.6 pt -56.3 152.81 21.72 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.108 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.457 ' HG2' ' HB2' ' A' ' 38' ' ' ASP . 3.4 Cg_endo -49.27 179.56 0.02 OUTLIER 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.527 2.151 . . . . 0.0 112.049 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -76.57 -65.74 0.9 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.26 -0.427 . . . . 0.0 112.03 -179.154 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.7 pttm -54.31 -24.38 18.93 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 -178.744 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.457 ' HB2' ' HG2' ' A' ' 35' ' ' PRO . 55.8 m-20 -79.67 -49.66 11.79 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.934 0.397 . . . . 0.0 110.197 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.429 ' HA ' HD12 ' A' ' 34' ' ' ILE . . . -59.75 -26.32 65.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.813 179.307 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 91.6 t80 -73.72 -57.07 4.24 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.864 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.6 mtp85 -64.01 -29.69 70.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.079 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.54 HD12 ' CD1' ' A' ' 34' ' ' ILE . 6.1 mt -57.95 -38.1 75.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.087 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -63.33 -17.29 62.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.318 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.8 mt -91.1 -49.86 13.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.774 0.321 . . . . 0.0 111.481 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.436 HG11 ' O ' ' A' ' 19' ' ' ALA . 2.4 m -61.03 -37.62 77.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.287 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.53 HG22 ' CE1' ' A' ' 9' ' ' HIS . 77.2 p -79.93 4.42 16.86 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.699 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.413 ' HB3' ' O ' ' A' ' 46' ' ' THR . . . 67.3 32.02 6.19 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 120.844 0.354 . . . . 0.0 110.854 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 78.63 24.93 61.64 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.511 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.418 ' HB3' ' HB ' ' A' ' 46' ' ' THR . . . -60.1 -54.71 42.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.86 0.362 . . . . 0.0 110.998 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.658 HD13 ' HG2' ' A' ' 1' ' ' MET . 5.6 mt -90.65 163.11 14.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.792 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.8 ttmt -116.78 110.88 18.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.954 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.531 ' CZ ' ' CD2' ' A' ' 57' ' ' TYR . 20.9 t80 -61.17 137.05 58.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.963 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -128.38 109.78 11.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.04 -33.17 50.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.238 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.26 -22.87 32.64 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.863 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.409 ' O ' ' CD1' ' A' ' 57' ' ' TYR . . . -102.29 16.4 26.3 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.68 0.276 . . . . 0.0 111.518 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.531 ' CD2' ' CZ ' ' A' ' 52' ' ' TYR . 29.4 m-85 -153.07 28.74 0.51 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.945 0.402 . . . . 0.0 110.863 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.1 tpt180 -126.3 92.65 3.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.122 179.592 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -157.55 160.51 38.25 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.871 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -104.07 174.44 5.87 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.066 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.298 -0.858 . . . . 0.0 110.934 -179.9 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.319 0 CA-C-O 120.797 0.332 . . . . 0.0 111.246 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -88.93 145.5 25.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.834 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.33 -32.63 68.7 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.022 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.9 tptm -64.6 -30.47 71.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.926 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -73.35 -47.81 39.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.94 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.562 HG21 HG21 ' A' ' 34' ' ' ILE . 2.9 t -56.79 -46.55 83.38 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.424 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.084 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 81.9 mt -63.7 -37.35 79.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.118 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.64 -23.66 56.33 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.373 179.583 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.67 ' CE1' HG22 ' A' ' 46' ' ' THR . 7.5 t-80 -82.75 -27.48 31.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.575 179.702 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.454 ' CE2' ' HA ' ' A' ' 16' ' ' VAL . 3.2 m-85 -96.04 -47.65 6.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.974 -179.732 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 115.34 -30.41 6.75 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.441 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 72.9 p -143.21 179.78 6.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.865 0.364 . . . . 0.0 110.816 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 -89.98 -53.03 4.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.006 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 38.2 ttt180 -51.66 -30.33 21.33 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.233 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.16 -47.82 78.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.946 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.454 ' HA ' ' CE2' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -61.45 -36.87 75.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.967 -179.935 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.853 ' HB1' ' O ' ' A' ' 22' ' ' ILE . . . -69.43 -32.11 70.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.11 -29.1 54.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.966 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 1.004 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . -68.94 -52.81 25.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.289 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.549 HD13 ' OD1' ' A' ' 38' ' ' ASP . 2.9 mt -79.89 -33.12 40.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.036 -179.803 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 107.89 26.64 5.46 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.513 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.853 ' O ' ' HB1' ' A' ' 17' ' ' ALA . 41.1 pt -113.54 -178.62 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.793 0.33 . . . . 0.0 111.083 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.3 m -93.97 164.13 13.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.856 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 19.6 p-10 -59.46 -31.68 69.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.49 -40.63 97.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.089 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.558 ' HB3' HD12 ' A' ' 22' ' ' ILE . . . -61.89 -37.37 84.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.019 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.474 HG13 ' CZ3' ' A' ' 30' ' ' TRP . 33.8 t -67.04 -51.88 49.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.135 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.8 t -66.23 -32.16 73.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.955 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -65.09 -22.71 66.99 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.305 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.474 ' CZ3' HG13 ' A' ' 27' ' ' VAL . 47.6 m0 -54.35 163.09 0.92 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.173 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.54 -163.5 0.86 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.951 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -49.86 -33.8 18.08 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.826 0.346 . . . . 0.0 110.989 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 24.5 t -123.06 122.32 65.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.786 0.327 . . . . 0.0 110.97 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.603 HD12 ' HA ' ' A' ' 39' ' ' ALA . 12.6 pt -54.98 151.49 16.0 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.278 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -50.62 156.88 3.92 Favored 'Trans proline' 0 C--N 1.343 0.266 0 C-N-CA 122.727 2.285 . . . . 0.0 112.37 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -65.86 -28.92 69.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.277 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 47.6 mttt -89.99 -24.87 21.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.592 -179.604 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.549 ' OD1' HD13 ' A' ' 20' ' ' LEU . 4.3 m-20 -79.77 -37.2 35.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.847 0.355 . . . . 0.0 110.735 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.603 ' HA ' HD12 ' A' ' 34' ' ' ILE . . . -68.28 -25.53 65.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.517 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -70.41 -56.71 5.98 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.934 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.72 -28.95 67.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.112 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.603 HD12 ' HA ' ' A' ' 39' ' ' ALA . 12.8 mt -56.06 -39.86 72.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.081 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -58.85 -20.36 50.11 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.412 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.8 mt -88.93 -50.79 13.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.86 0.362 . . . . 0.0 111.439 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 1.004 HG11 ' HB1' ' A' ' 19' ' ' ALA . 2.7 m -63.3 -37.53 79.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.628 -179.605 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.67 HG22 ' CE1' ' A' ' 9' ' ' HIS . 76.8 p -81.53 11.58 4.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.984 -179.448 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 62.9 28.53 16.39 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.832 0.348 . . . . 0.0 111.27 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 77.32 20.75 74.48 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.811 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.15 -43.93 66.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.901 0.381 . . . . 0.0 110.904 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.431 HD12 HG21 ' A' ' 46' ' ' THR . 58.5 mt -91.87 113.36 25.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.704 179.652 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.96 125.64 30.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.982 -179.784 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.427 ' CE1' ' CD2' ' A' ' 57' ' ' TYR . 9.6 t80 -78.13 136.02 37.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.803 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.6 mp0 -127.7 102.63 6.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.887 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -55.21 -25.9 35.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.11 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -57.43 -29.14 63.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.857 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -100.17 16.72 23.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.427 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.427 ' CD2' ' CE1' ' A' ' 52' ' ' TYR . 71.4 m-85 -142.07 23.11 2.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.811 -179.626 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.43 -170.49 1.68 Allowed 'General case' 0 N--CA 1.454 -0.226 0 CA-C-O 120.873 0.368 . . . . 0.0 110.645 -179.577 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -110.64 -32.53 6.85 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.82 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -100.71 -70.97 0.72 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.961 -179.736 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.261 0 CA-C-O 118.607 -0.711 . . . . 0.0 111.052 179.946 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.4 ttm . . . . . 0 N--CA 1.488 1.425 0 CA-C-O 120.893 0.378 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.641 ' O ' HG23 ' A' ' 6' ' ' VAL . 2.4 m-85 -82.47 154.47 25.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.919 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.677 ' HE2' HD11 ' A' ' 7' ' ' ILE . 10.1 tttt -71.16 -30.82 66.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.953 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.3 ttpm? -64.48 -36.87 85.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.13 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.42 -50.08 49.19 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.096 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.641 HG23 ' O ' ' A' ' 2' ' ' TYR . 2.9 t -56.05 -49.47 75.45 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.346 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.677 HD11 ' HE2' ' A' ' 3' ' ' LYS . 52.1 mt -61.93 -29.13 45.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.13 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.41 -25.24 54.3 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.879 0.371 . . . . 0.0 110.557 179.796 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.555 ' NE2' HG22 ' A' ' 46' ' ' THR . 16.3 t60 -84.86 -33.78 22.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.521 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.549 ' CE2' HG13 ' A' ' 16' ' ' VAL . 28.5 m-85 -88.9 -41.83 12.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.192 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.68 -29.03 10.35 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.265 -179.7 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -146.93 136.47 22.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.73 0.3 . . . . 0.0 110.595 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -51.06 -49.78 59.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.239 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -45.95 -42.32 12.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.449 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.84 -49.38 77.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.082 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.549 HG13 ' CE2' ' A' ' 10' ' ' PHE . 0.8 OUTLIER -58.45 -49.32 82.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.109 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.531 ' HB1' ' O ' ' A' ' 22' ' ' ILE . . . -60.13 -31.01 69.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.043 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.4 mmtt -74.82 -34.89 62.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.65 -41.74 65.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.108 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.7 HD21 ' HG ' ' A' ' 42' ' ' LEU . 53.9 mt -82.8 -31.07 28.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.035 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 106.71 -7.75 39.24 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.785 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.531 ' O ' ' HB1' ' A' ' 17' ' ' ALA . 43.5 pt -79.99 -178.89 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.737 0.303 . . . . 0.0 111.094 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.4 m -85.43 153.83 22.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.842 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -60.34 -31.34 70.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.902 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.85 -40.0 91.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.952 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.13 -31.76 69.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.945 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.442 ' CG2' ' HB2' ' A' ' 17' ' ' ALA . 48.5 t -69.1 -42.74 81.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.986 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.87 -28.99 64.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.881 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -74.4 -14.71 60.9 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.293 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.46 ' CD2' HG22 ' A' ' 34' ' ' ILE . 16.7 m0 -52.7 169.27 0.09 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.771 0.319 . . . . 0.0 111.151 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.71 -164.27 1.35 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.826 -179.772 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -49.48 -28.31 5.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.647 0.26 . . . . 0.0 111.173 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 23.5 t -135.27 119.01 24.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.981 179.565 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.824 HD12 HD12 ' A' ' 42' ' ' LEU . 29.9 pt -61.89 158.78 40.86 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.251 -179.76 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -50.96 157.67 3.7 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.553 2.169 . . . . 0.0 112.613 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.424 ' HG2' ' HB3' ' A' ' 57' ' ' TYR . 0.5 OUTLIER -59.72 -49.7 76.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.373 -179.808 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.23 -15.66 60.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.684 -179.45 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -79.77 -48.23 13.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.908 0.385 . . . . 0.0 110.877 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.578 ' HB2' HG13 ' A' ' 34' ' ' ILE . . . -64.44 -24.27 67.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.031 179.754 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -66.48 -70.29 0.25 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.001 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.2 mtp85 -58.44 -28.31 65.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.15 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.824 HD12 HD12 ' A' ' 34' ' ' ILE . 7.6 mt -58.96 -34.76 72.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.119 -179.774 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -71.18 -29.53 65.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.993 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.9 mt -78.87 -45.53 24.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.246 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.495 HG23 HG23 ' A' ' 46' ' ' THR . 12.4 m -57.48 -41.1 78.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.334 -179.821 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.555 HG22 ' NE2' ' A' ' 9' ' ' HIS . 60.7 p -83.16 32.6 0.44 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.996 -0.547 . . . . 0.0 112.09 -179.411 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 46.97 38.04 5.74 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.736 0.303 . . . . 0.0 111.566 179.58 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 66.56 23.07 71.95 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.539 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.42 -33.61 72.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.932 0.396 . . . . 0.0 110.942 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -106.27 -176.6 3.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.709 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.94 118.72 14.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.93 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 30.0 t80 -60.83 145.58 49.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.833 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.41 ' O ' ' CD2' ' A' ' 57' ' ' TYR . 51.2 mt-30 -131.66 88.86 2.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.008 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 22.1 pt-20 -58.79 -20.22 47.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.224 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -52.06 -48.9 64.39 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.399 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -86.2 5.73 32.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.631 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.424 ' HB3' ' HG2' ' A' ' 36' ' ' GLU . 44.5 m-85 -115.89 -17.06 11.08 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.707 0.289 . . . . 0.0 111.361 -179.778 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.1 ptt180 -79.96 110.68 15.57 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.825 0.345 . . . . 0.0 110.82 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -145.02 130.93 19.17 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.694 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -136.18 86.4 2.22 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.871 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.895 0 CA-C-O 118.58 -0.724 . . . . 0.0 110.931 -179.955 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.53 ' HB3' HD11 ' A' ' 34' ' ' ILE . 2.5 mtm . . . . . 0 N--CA 1.487 1.407 0 CA-C-O 120.79 0.328 . . . . 0.0 111.095 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -88.89 146.47 24.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.945 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 47.2 tttt -57.93 -44.25 86.78 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.059 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.3 ttmm -51.5 -41.63 61.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.264 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -61.91 -52.78 62.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.01 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.8 t -56.97 -39.23 64.31 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.267 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.484 HD13 HG21 ' A' ' 16' ' ' VAL . 41.0 mm -71.55 -36.33 59.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.134 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.99 -24.88 55.36 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.404 179.806 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 1.002 ' CE1' HG22 ' A' ' 46' ' ' THR . 7.5 t-80 -82.85 -27.39 30.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.7 179.743 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.45 ' CE2' ' HA ' ' A' ' 16' ' ' VAL . 2.8 m-85 -95.67 -42.73 8.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.028 -179.66 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 109.08 -30.11 8.99 Favored Glycine 0 N--CA 1.453 -0.205 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.464 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 18.9 p -142.19 171.58 13.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.762 0.315 . . . . 0.0 110.916 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -84.38 -51.74 6.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.834 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -53.27 -29.21 31.79 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.08 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.73 -46.53 81.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.046 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.484 HG21 HD13 ' A' ' 7' ' ' ILE . 0.4 OUTLIER -59.07 -31.96 46.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.958 -179.939 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.861 ' HB1' ' O ' ' A' ' 22' ' ' ILE . . . -73.3 -26.86 61.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.197 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.6 ttmt -74.5 -38.12 62.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.033 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.926 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . -65.28 -49.74 68.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.162 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.416 HD13 ' OD1' ' A' ' 38' ' ' ASP . 10.5 mt -79.97 -27.22 39.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.068 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 95.28 26.11 12.87 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.469 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.861 ' O ' ' HB1' ' A' ' 17' ' ' ALA . 26.7 pt -110.87 -177.88 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.739 0.304 . . . . 0.0 111.015 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.2 m -94.34 163.69 13.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.782 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -59.27 -31.16 68.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.927 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.01 -46.29 88.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.099 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.483 ' HB3' HD12 ' A' ' 22' ' ' ILE . . . -59.11 -35.98 74.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.157 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.4 HG13 ' CZ3' ' A' ' 30' ' ' TRP . 44.8 t -72.76 -45.13 57.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.032 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 40.5 t -68.01 -29.6 68.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.986 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -76.02 -17.67 59.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.004 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.404 ' CD1' ' O ' ' A' ' 26' ' ' ALA . 32.5 m0 -52.79 150.29 5.45 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.909 0.385 . . . . 0.0 111.149 -179.86 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.39 -169.81 1.65 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.315 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -47.65 -29.1 2.73 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.017 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 32.5 t -128.44 116.34 41.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.805 179.56 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.53 HD11 ' HB3' ' A' ' 1' ' ' MET . 11.0 pt -53.85 160.99 1.86 Allowed Pre-proline 0 C--N 1.331 -0.223 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.391 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -53.89 165.76 1.76 Allowed 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.655 2.237 . . . . 0.0 112.489 -179.711 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -71.43 -33.0 69.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.37 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.9 mttm -90.02 -20.21 23.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.796 -179.402 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.416 ' OD1' HD13 ' A' ' 20' ' ' LEU . 5.8 m-20 -79.73 -40.87 27.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.837 0.351 . . . . 0.0 110.636 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.525 ' HA ' HD12 ' A' ' 34' ' ' ILE . . . -64.32 -25.72 68.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.974 179.666 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -67.37 -70.42 0.25 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.038 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 19.0 mtp180 -54.92 -27.44 43.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.261 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.497 HD12 HD12 ' A' ' 34' ' ' ILE . 7.8 mt -59.56 -34.42 72.67 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.965 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -68.84 -21.93 64.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.297 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.7 mt -85.98 -49.64 15.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.309 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.926 HG11 ' HB1' ' A' ' 19' ' ' ALA . 2.4 m -57.55 -36.81 55.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.427 -179.82 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' THR . . . . . 1.002 HG22 ' CE1' ' A' ' 9' ' ' HIS . 17.5 p -81.95 9.53 8.1 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.814 -179.547 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 65.28 32.84 9.61 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.803 0.335 . . . . 0.0 111.119 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 76.97 27.66 60.01 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.612 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.604 ' HB3' ' HB ' ' A' ' 46' ' ' THR . . . -74.76 -50.47 17.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.833 0.349 . . . . 0.0 110.994 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.9 mt -93.2 115.64 28.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.806 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.0 124.7 28.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.981 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.505 ' CE1' ' CD2' ' A' ' 57' ' ' TYR . 16.9 t80 -66.25 149.92 49.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.786 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.434 ' O ' ' CD2' ' A' ' 57' ' ' TYR . 45.6 mt-30 -144.78 108.88 4.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.884 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.16 -15.31 45.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.608 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -45.68 -52.61 10.58 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.706 0.289 . . . . 0.0 111.551 -179.695 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -78.28 -24.28 46.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.984 0.421 . . . . 0.0 111.421 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.505 ' CD2' ' CE1' ' A' ' 52' ' ' TYR . 2.3 m-85 -105.34 38.36 1.98 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.819 -179.612 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -104.41 -38.34 6.86 Favored 'General case' 0 CA--C 1.522 -0.103 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.118 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -113.25 -36.7 4.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.149 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.59 163.33 9.13 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.118 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.184 -0.912 . . . . 0.0 111.002 -179.823 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.65 ' SD ' HD13 ' A' ' 50' ' ' LEU . 2.7 ptp . . . . . 0 N--CA 1.487 1.407 0 CA-C-O 120.865 0.364 . . . . 0.0 111.204 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -83.66 136.61 34.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.934 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.3 tttp -57.66 -28.25 63.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.116 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.5 tptm -60.63 -49.83 75.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.064 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.665 ' OD2' HD21 ' A' ' 50' ' ' LEU . 0.6 OUTLIER -58.86 -47.1 86.1 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.0 -179.858 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.0 t -55.52 -55.14 18.76 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.438 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.293 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 63.9 mt -59.15 -31.84 46.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.061 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.9 -24.51 52.52 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.492 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 31.7 t60 -84.46 -32.03 24.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.592 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.559 ' CE2' HG13 ' A' ' 16' ' ' VAL . 36.5 m-85 -92.54 -35.76 13.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.031 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 92.57 -46.33 2.55 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.202 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 60.1 p -130.0 147.6 51.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.778 0.323 . . . . 0.0 110.725 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -58.21 -55.39 35.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.96 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.5 tpt180 -45.52 -32.41 2.23 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.285 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.27 -54.63 37.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.833 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.559 HG13 ' CE2' ' A' ' 10' ' ' PHE . 1.1 t -57.46 -39.95 71.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.111 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.698 ' HB1' ' O ' ' A' ' 22' ' ' ILE . . . -68.43 -30.89 69.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.174 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.7 tttp -79.5 -37.11 37.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.988 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.51 -41.79 60.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.189 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.403 HD22 ' HB2' ' A' ' 41' ' ' ARG . 55.8 mt -80.05 -33.81 38.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.993 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 100.67 27.24 7.64 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.499 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.698 ' O ' ' HB1' ' A' ' 17' ' ' ALA . 36.2 pt -116.93 -179.25 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.841 0.353 . . . . 0.0 111.072 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 29.4 t -89.57 160.67 16.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.914 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -60.37 -31.7 70.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.851 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.76 -42.73 90.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.111 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.405 ' O ' ' CD1' ' A' ' 30' ' ' TRP . . . -59.43 -31.0 68.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.08 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 41.9 t -75.6 -46.88 35.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.152 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.86 -37.94 85.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.957 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -60.27 -20.04 57.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.106 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.419 ' CE3' HG22 ' A' ' 34' ' ' ILE . 42.6 m0 -53.05 157.54 1.74 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.867 0.365 . . . . 0.0 111.378 -179.783 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.2 pttt -119.32 -163.25 0.96 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.814 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -46.7 -36.65 7.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.694 0.283 . . . . 0.0 111.175 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 24.2 t -122.91 117.33 51.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.841 0.353 . . . . 0.0 110.929 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.526 HD12 ' HA ' ' A' ' 39' ' ' ALA . 8.6 pt -55.42 159.22 4.78 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.3 -179.79 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -53.1 157.7 7.99 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.661 2.241 . . . . 0.0 112.4 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.439 ' HG3' ' CD1' ' A' ' 57' ' ' TYR . 6.1 tt0 -68.23 -32.84 73.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.463 -179.649 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.4 pttt -89.95 -22.78 21.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.778 -179.315 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 -79.89 -40.49 28.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.852 0.358 . . . . 0.0 110.602 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.577 ' HA ' HD12 ' A' ' 42' ' ' LEU . . . -64.93 -27.88 69.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.833 179.604 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -67.73 -57.39 6.43 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.918 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.403 ' HB2' HD22 ' A' ' 20' ' ' LEU . 0.8 OUTLIER -62.36 -29.55 70.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.994 -179.838 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.577 HD12 ' HA ' ' A' ' 39' ' ' ALA . 18.3 mt -57.19 -51.03 70.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.087 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.84 -47.17 64.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.175 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.8 mt -71.11 -44.68 74.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.329 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.72 -37.38 75.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.42 -179.758 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 31.4 p -88.26 37.78 0.83 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.757 -179.459 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 46.89 28.83 0.9 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.732 0.301 . . . . 0.0 111.694 179.581 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 70.41 31.59 68.43 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.517 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.79 -45.3 71.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.798 0.332 . . . . 0.0 111.116 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.665 HD21 ' OD2' ' A' ' 5' ' ' ASP . 2.0 mt -94.36 176.44 6.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.792 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.3 ptmt -126.33 125.75 42.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.958 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.467 ' CE1' ' CD2' ' A' ' 57' ' ' TYR . 7.3 t80 -83.98 115.45 22.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.97 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -108.75 138.32 45.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.62 179.729 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -90.1 44.69 1.22 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.905 0.383 . . . . 0.0 111.244 -179.692 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 69.5 m-20 -90.28 -74.79 0.48 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.564 179.669 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.93 -13.96 62.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.171 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.467 ' CD2' ' CE1' ' A' ' 52' ' ' TYR . 21.9 m-85 -89.17 12.33 16.15 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.345 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.31 95.22 4.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.085 0.469 . . . . 0.0 111.042 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -89.01 60.33 5.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.693 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -102.84 31.8 3.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.101 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.121 0 CA-C-O 118.28 -0.867 . . . . 0.0 111.056 179.954 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.824 0.345 . . . . 0.0 111.185 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -88.96 144.96 25.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.004 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.508 ' HG2' HD13 ' A' ' 7' ' ' ILE . 6.1 tttm -61.69 -42.76 99.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.044 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 17.3 tttm -53.53 -25.58 17.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.325 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -76.16 -47.71 23.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.096 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.407 HG23 ' H ' ' A' ' 6' ' ' VAL . 2.9 t -54.94 -56.74 9.33 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.398 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.371 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.508 HD13 ' HG2' ' A' ' 3' ' ' LYS . 3.0 mp -59.92 -24.93 31.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.963 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.5 -28.25 56.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.012 0.434 . . . . 0.0 110.147 179.551 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.667 ' CE1' HG22 ' A' ' 46' ' ' THR . 3.6 t-80 -90.08 -29.47 18.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.453 179.674 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.446 ' CE2' ' HA ' ' A' ' 16' ' ' VAL . 2.5 m-85 -91.84 -46.3 7.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.1 -179.528 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 106.86 -40.4 2.52 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.505 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 13.2 p -126.5 175.55 7.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.821 0.344 . . . . 0.0 110.96 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -88.05 -50.6 6.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.88 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.8 ttt180 -54.42 -30.36 52.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.946 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.02 -45.78 92.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.844 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.512 ' O ' HD12 ' A' ' 20' ' ' LEU . 0.5 OUTLIER -60.49 -39.46 81.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.778 ' HB1' ' O ' ' A' ' 22' ' ' ILE . . . -65.2 -28.5 69.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.096 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.0 mmtt -90.11 16.46 8.4 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.455 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.823 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . -111.47 -42.21 3.93 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.875 0.369 . . . . 0.0 111.094 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.824 HD23 ' HB2' ' A' ' 41' ' ' ARG . 0.9 OUTLIER -97.75 -30.13 12.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.939 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 113.0 28.11 3.49 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.462 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.778 ' O ' ' HB1' ' A' ' 17' ' ' ALA . 32.8 pt -114.53 -178.92 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.794 0.331 . . . . 0.0 111.163 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.1 p -97.33 165.15 12.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.992 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -59.91 -30.94 69.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.944 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.02 -46.36 91.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.105 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.21 -37.17 76.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.146 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 61.7 t -70.76 -38.86 74.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.026 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 18.7 m -69.19 -28.9 66.8 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.967 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -78.67 -17.06 56.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.388 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.585 ' CD2' HG22 ' A' ' 34' ' ' ILE . 26.4 m0 -52.91 125.11 15.99 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.833 0.349 . . . . 0.0 111.119 -179.799 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.6 pttm -87.99 -163.92 1.03 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.929 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -49.37 -27.76 4.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.684 0.278 . . . . 0.0 111.168 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.6 t -131.36 120.37 45.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.109 0.48 . . . . 0.0 111.132 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.634 HG13 ' HB2' ' A' ' 39' ' ' ALA . 20.3 pt -70.78 159.8 84.1 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.187 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -49.24 158.34 1.56 Allowed 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.701 2.268 . . . . 0.0 112.633 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -68.76 -28.95 67.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.138 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.83 -22.56 22.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.506 -179.585 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.464 ' HA ' HD22 ' A' ' 20' ' ' LEU . 23.1 m-20 -79.79 -44.59 20.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.825 0.345 . . . . 0.0 110.559 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.634 ' HB2' HG13 ' A' ' 34' ' ' ILE . . . -65.55 -24.61 67.14 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.833 179.552 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -66.8 -58.73 4.47 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.918 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.824 ' HB2' HD23 ' A' ' 20' ' ' LEU . 17.9 mtm180 -57.61 -37.42 73.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.948 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.591 HD12 ' CD1' ' A' ' 34' ' ' ILE . 19.5 mt -53.85 -52.19 61.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.062 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 50.9 tt0 -50.03 -30.13 10.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.183 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.0 mt -88.94 -44.43 15.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.95 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.823 HG11 ' HB1' ' A' ' 19' ' ' ALA . 22.9 t -65.22 -21.16 28.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.604 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.667 HG22 ' CE1' ' A' ' 9' ' ' HIS . 14.7 p -92.36 23.8 3.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.278 -179.679 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 56.45 31.04 18.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.843 0.354 . . . . 0.0 111.082 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 71.05 25.76 75.12 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.528 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -73.12 -54.2 9.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.816 0.341 . . . . 0.0 110.998 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 62.7 mt -80.08 165.39 22.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.821 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.2 tptt -123.32 120.19 32.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.943 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.508 ' CE1' ' CD2' ' A' ' 57' ' ' TYR . 5.3 t80 -78.7 121.97 25.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.021 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -112.48 128.56 56.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.712 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -90.12 37.42 0.89 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.324 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -90.18 -32.17 16.73 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 120.897 0.379 . . . . 0.0 110.579 179.748 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -102.4 -23.84 13.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.177 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.508 ' CD2' ' CE1' ' A' ' 52' ' ' TYR . 11.3 m-85 -94.06 18.88 9.91 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.227 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.2 45.92 1.01 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.771 0.319 . . . . 0.0 111.002 179.559 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -124.73 32.12 5.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.034 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -145.39 33.1 1.07 Allowed 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.04 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.892 0 CA-C-O 118.127 -0.939 . . . . 0.0 111.338 179.614 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.743 ' HG3' ' HB1' ' A' ' 39' ' ' ALA . 4.1 mmt . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.789 0.328 . . . . 0.0 111.202 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -73.5 125.59 28.29 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.734 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.521 ' HE3' HD11 ' A' ' 7' ' ' ILE . 19.8 ttpt -52.95 -28.19 22.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.099 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.0 tttp -57.32 -44.77 84.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.869 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -70.07 -45.18 67.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.721 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.614 HG12 ' CD2' ' A' ' 10' ' ' PHE . 2.8 t -57.15 -52.88 50.68 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.473 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.02 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.521 HD11 ' HE3' ' A' ' 3' ' ' LYS . 64.7 mt -55.98 -29.39 26.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.083 179.789 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.92 -29.41 50.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.31 179.705 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -84.08 -31.6 25.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.369 179.598 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.733 ' CD2' HG13 ' A' ' 16' ' ' VAL . 37.9 m-85 -90.64 -28.96 18.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.985 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 92.98 -45.28 2.48 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.415 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -145.46 -177.64 5.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.812 0.339 . . . . 0.0 110.707 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.401 ' O ' HG23 ' A' ' 16' ' ' VAL . 82.8 mt-30 -75.22 -43.32 52.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.84 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.07 -38.19 70.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.072 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.535 ' HB3' ' HB3' ' A' ' 10' ' ' PHE . . . -59.48 -39.03 82.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.085 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.733 HG13 ' CD2' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -77.86 -42.13 28.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.948 179.812 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.806 ' HB1' ' O ' ' A' ' 22' ' ' ILE . . . -55.07 -36.27 65.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.314 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.0 pttt -77.21 -26.59 52.89 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.984 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.801 ' HB1' HG21 ' A' ' 45' ' ' VAL . . . -68.96 -59.17 3.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.282 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.575 HD22 ' HB2' ' A' ' 41' ' ' ARG . 11.3 mt -79.81 -23.96 41.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.207 -179.809 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 97.06 28.29 8.78 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.608 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.806 ' O ' ' HB1' ' A' ' 17' ' ' ALA . 31.3 pt -111.22 -179.97 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.78 0.324 . . . . 0.0 111.098 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 73.8 m -95.8 168.61 10.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.792 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -58.31 -30.52 66.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.964 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.43 -44.61 90.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.015 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.576 ' HB3' HD12 ' A' ' 22' ' ' ILE . . . -57.9 -46.3 85.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.113 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 58.6 t -68.55 -37.01 77.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.997 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 23.0 t -72.87 -34.7 66.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -68.28 -18.58 64.57 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.146 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.434 ' CE3' HG22 ' A' ' 34' ' ' ILE . 27.1 m0 -53.17 -178.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.929 0.395 . . . . 0.0 111.236 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 29.1 mttm -147.56 -162.95 1.65 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.773 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -49.93 -26.67 4.37 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.189 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.654 HG12 ' HE1' ' A' ' 57' ' ' TYR . 3.5 t -136.2 114.9 15.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.969 179.817 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.609 ' CD1' HD11 ' A' ' 42' ' ' LEU . 39.9 pt -65.15 161.0 52.75 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.318 -179.818 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.419 ' HD2' ' HB ' ' A' ' 34' ' ' ILE . 53.3 Cg_exo -52.69 163.23 1.99 Allowed 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.471 2.114 . . . . 0.0 112.308 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -72.89 -30.37 63.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.037 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 9.6 mttp -85.07 -23.37 28.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.204 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -79.67 -46.8 16.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.896 0.379 . . . . 0.0 110.067 179.5 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.743 ' HB1' ' HG3' ' A' ' 1' ' ' MET . . . -60.85 -24.63 66.05 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.956 179.256 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 21.6 t80 -68.1 -55.83 11.05 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.172 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.575 ' HB2' HD22 ' A' ' 20' ' ' LEU . 7.2 mtt85 -55.87 -22.08 23.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.58 -179.64 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.609 HD11 ' CD1' ' A' ' 34' ' ' ILE . 51.3 mt -52.52 -57.98 8.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.797 0.332 . . . . 0.0 111.344 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -53.81 -23.74 13.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.596 -179.665 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.8 mt -85.97 -50.66 14.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.736 0.303 . . . . 0.0 111.35 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.801 HG21 ' HB1' ' A' ' 19' ' ' ALA . 0.6 OUTLIER -71.73 -42.91 70.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.037 0.446 . . . . 0.0 111.484 -179.596 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.436 ' N ' ' CG1' ' A' ' 45' ' ' VAL . 19.2 p -79.82 3.95 18.01 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.901 -179.583 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 62.79 30.2 16.71 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.811 0.339 . . . . 0.0 111.237 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 80.74 27.07 52.16 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.532 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.61 -50.98 71.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.862 0.363 . . . . 0.0 110.907 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.8 mp -98.93 -178.07 3.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.754 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.53 103.88 9.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.877 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -71.63 115.77 11.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -123.87 133.18 53.82 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.712 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -90.16 26.05 2.0 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.386 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -72.76 -74.96 0.15 Allowed 'General case' 0 C--O 1.234 0.265 0 CA-C-O 120.756 0.312 . . . . 0.0 110.482 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.11 -18.48 60.93 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.896 0.379 . . . . 0.0 111.008 179.558 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.654 ' HE1' HG12 ' A' ' 33' ' ' VAL . 21.7 m-85 -79.56 -14.84 58.57 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.184 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 16.3 mtp180 -80.02 -174.38 4.42 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-O 121.129 0.49 . . . . 0.0 110.529 -179.668 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -99.74 166.03 11.3 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.933 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . 64.89 -78.48 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.866 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.822 0 CA-C-O 118.155 -0.926 . . . . 0.0 111.108 -179.867 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.58 ' HE3' ' HB1' ' A' ' 39' ' ' ALA . 0.9 OUTLIER . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.895 0.379 . . . . 0.0 111.322 . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.461 ' O ' HG23 ' A' ' 6' ' ' VAL . 4.3 m-85 -76.85 159.08 30.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.835 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 11.2 tttt -71.11 -30.14 66.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.934 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 9.8 ttmt -60.67 -44.31 96.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.99 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.13 -51.96 66.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.016 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 2' ' ' TYR . 3.4 t -53.81 -53.68 25.07 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.354 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.186 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 52.8 mt -57.85 -29.33 35.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.12 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.19 -27.02 53.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.889 0.376 . . . . 0.0 110.343 179.773 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.528 ' CE1' HG22 ' A' ' 46' ' ' THR . 25.0 t-80 -85.69 -30.9 22.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.713 179.792 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.675 ' CE2' HG13 ' A' ' 16' ' ' VAL . 43.2 m-85 -93.8 -34.61 13.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.219 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 92.33 -45.98 2.6 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.19 -179.656 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 43.2 p -132.85 137.8 46.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.71 0.291 . . . . 0.0 110.527 179.671 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -50.87 -51.12 54.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.251 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.1 tpp180 -46.95 -34.14 5.26 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.291 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.43 -51.49 65.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.024 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.675 HG13 ' CE2' ' A' ' 10' ' ' PHE . 0.5 OUTLIER -54.75 -43.64 67.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.187 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.755 ' HB1' ' O ' ' A' ' 22' ' ' ILE . . . -59.7 -28.57 67.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.136 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.88 -30.85 62.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.001 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.674 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . -79.65 -36.25 38.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.208 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.531 HD23 ' HB2' ' A' ' 41' ' ' ARG . 10.7 mt -89.49 -31.17 17.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.901 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 92.95 26.75 15.59 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.371 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.755 ' O ' ' HB1' ' A' ' 17' ' ' ALA . 39.9 pt -112.43 -178.01 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.826 0.345 . . . . 0.0 111.051 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.2 p -84.79 161.64 19.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.841 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -65.61 -32.34 73.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.91 -43.85 97.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.119 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.54 -32.74 70.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.12 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.424 HG13 ' CZ3' ' A' ' 30' ' ' TRP . 47.8 t -72.76 -43.04 61.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.095 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.7 t -71.03 -30.46 66.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.909 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -72.68 -13.95 61.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.478 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.498 ' CD2' HG22 ' A' ' 34' ' ' ILE . 20.1 m0 -54.97 129.66 38.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.934 0.397 . . . . 0.0 111.176 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.14 -164.91 0.95 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.595 179.749 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -47.82 -28.93 2.83 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.025 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.7 t -133.75 124.8 48.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.889 179.767 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.649 ' CD1' HD12 ' A' ' 42' ' ' LEU . 42.4 pt -64.51 158.34 67.53 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.154 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.435 ' HD3' ' CD1' ' A' ' 30' ' ' TRP . 77.7 Cg_exo -50.77 168.66 0.2 Allowed 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.596 2.198 . . . . 0.0 112.643 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.428 ' HG3' ' CD1' ' A' ' 57' ' ' TYR . 4.3 tt0 -67.5 -58.95 3.82 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.34 -179.776 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.0 mttt -65.63 -15.68 62.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.789 -179.406 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -79.85 -53.13 7.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.816 0.341 . . . . 0.0 110.637 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.58 ' HB1' ' HE3' ' A' ' 1' ' ' MET . . . -62.19 -22.31 65.8 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.493 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 83.4 t80 -72.91 -63.61 1.14 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.026 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.531 ' HB2' HD23 ' A' ' 20' ' ' LEU . 5.0 mtp85 -57.07 -21.23 30.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.423 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.649 HD12 ' CD1' ' A' ' 34' ' ' ILE . 15.1 mt -64.52 -40.59 95.92 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.568 -179.501 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -54.83 -52.16 63.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.902 0.382 . . . . 0.0 111.007 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.634 ' H ' HD12 ' A' ' 44' ' ' ILE . 3.6 mp -58.65 -47.51 88.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.084 -0.507 . . . . 0.0 112.328 -179.494 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.674 HG11 ' HB1' ' A' ' 19' ' ' ALA . 11.3 m -63.76 -41.24 91.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.948 0.404 . . . . 0.0 111.548 -179.258 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.528 HG22 ' CE1' ' A' ' 9' ' ' HIS . 65.2 p -79.7 6.59 10.38 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.854 -179.508 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 63.78 35.24 11.36 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.912 0.387 . . . . 0.0 111.183 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 76.56 26.46 63.16 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.593 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.42 -56.76 17.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.895 0.379 . . . . 0.0 110.939 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.485 HD13 ' SD ' ' A' ' 1' ' ' MET . 2.9 mt -98.24 144.95 27.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.62 179.672 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.45 112.35 24.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.89 0.376 . . . . 0.0 111.217 -179.702 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.499 ' CE1' ' CD2' ' A' ' 57' ' ' TYR . 2.3 t80 -67.79 132.1 46.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.9 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -117.76 143.82 45.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.435 179.682 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -90.25 38.09 0.92 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.786 0.327 . . . . 0.0 111.426 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -90.4 -76.9 0.42 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.563 -0.289 . . . . 0.0 110.94 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.98 -13.35 61.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.827 0.346 . . . . 0.0 111.579 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.499 ' CD2' ' CE1' ' A' ' 52' ' ' TYR . 75.8 m-85 -98.54 26.91 5.14 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.133 0.492 . . . . 0.0 111.187 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.95 80.44 2.73 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.833 179.807 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.47 179.79 3.86 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.837 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -158.32 150.8 22.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 179.753 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.298 -0.858 . . . . 0.0 111.049 -179.842 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.852 0.358 . . . . 0.0 111.152 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -91.79 143.67 26.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.729 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.576 ' HD3' HD11 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -56.86 -27.35 60.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.037 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.9 tttp -59.26 -50.23 74.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.942 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -58.57 -46.87 86.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.921 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.536 HG21 HG21 ' A' ' 34' ' ' ILE . 2.7 t -57.35 -51.68 66.45 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.489 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.188 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.576 HD11 ' HD3' ' A' ' 3' ' ' LYS . 57.5 mt -60.23 -27.99 40.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.224 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.58 -26.42 55.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.532 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.765 ' CE1' HG22 ' A' ' 46' ' ' THR . 31.8 t-80 -86.33 -32.45 21.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.699 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.593 ' CE2' HG13 ' A' ' 16' ' ' VAL . 45.4 m-85 -92.15 -33.2 14.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.001 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 92.02 -46.87 2.68 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.202 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -134.51 148.52 50.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.734 0.302 . . . . 0.0 110.689 179.751 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -56.02 -51.66 67.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.058 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.6 -39.07 7.22 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.403 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.0 -51.33 70.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.998 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.593 HG13 ' CE2' ' A' ' 10' ' ' PHE . 0.6 OUTLIER -55.59 -44.9 78.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.192 179.921 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.01 -29.03 69.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.165 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.36 22.51 3.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.272 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -132.07 -46.29 0.93 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.746 0.308 . . . . 0.0 111.103 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 16.8 mt -80.27 -31.06 38.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.881 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 109.09 28.13 4.54 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.544 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.499 HD12 ' HB3' ' A' ' 26' ' ' ALA . 41.2 pt -116.63 -179.11 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.858 0.361 . . . . 0.0 110.961 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.1 t -89.83 161.19 16.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -59.67 -30.84 69.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.947 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.14 -33.18 69.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.083 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.499 ' HB3' HD12 ' A' ' 22' ' ' ILE . . . -59.36 -43.59 92.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.064 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.437 HG13 ' CZ3' ' A' ' 30' ' ' TRP . 41.7 t -66.35 -47.87 82.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.064 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 18.2 p -67.2 -29.28 68.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.918 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -72.69 -19.43 61.41 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.401 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.437 ' CZ3' HG13 ' A' ' 27' ' ' VAL . 33.1 m0 -52.92 155.92 2.23 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.056 0.455 . . . . 0.0 111.145 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.4 mmtp -107.12 -170.66 1.74 Allowed 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.834 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -48.08 -28.49 2.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.779 0.323 . . . . 0.0 110.95 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 31.7 t -127.02 119.77 53.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 179.653 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.568 ' CD1' ' HB2' ' A' ' 39' ' ' ALA . 47.2 pt -56.01 156.96 9.14 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.201 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -53.55 -175.05 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.489 2.126 . . . . 0.0 112.256 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.401 ' CG ' ' HB3' ' A' ' 57' ' ' TYR . 71.1 tt0 -89.95 -41.14 11.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.182 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 9.2 mtpt -81.45 -17.8 47.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.49 -179.584 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -79.75 -47.88 14.54 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 179.681 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.887 ' HA ' HD12 ' A' ' 42' ' ' LEU . . . -56.88 -25.83 57.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.852 179.281 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -75.89 -49.62 17.36 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.972 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 18.0 mtt85 -67.53 -30.47 70.14 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.144 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.887 HD12 ' HA ' ' A' ' 39' ' ' ALA . 14.7 mt -58.52 -39.47 80.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.115 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.74 -17.82 65.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.247 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.8 mt -91.14 -48.25 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.032 0.444 . . . . 0.0 111.011 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.549 HG23 HG23 ' A' ' 46' ' ' THR . 16.6 m -61.49 -43.13 96.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.261 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.765 HG22 ' CE1' ' A' ' 9' ' ' HIS . 74.7 p -79.83 4.72 15.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.895 -179.491 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 65.88 30.39 9.93 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 120.824 0.345 . . . . 0.0 111.244 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 80.63 26.91 52.94 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.649 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.514 ' HB3' ' HB ' ' A' ' 46' ' ' THR . . . -68.68 -36.66 78.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.798 0.332 . . . . 0.0 110.975 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 23.4 mt -102.53 -176.53 3.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.763 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -128.26 107.77 10.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.888 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -74.54 126.51 30.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.866 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.421 ' O ' ' CD2' ' A' ' 57' ' ' TYR . 36.8 mt-30 -128.35 120.7 27.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.566 179.619 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -85.1 19.2 2.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.715 -179.707 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -61.25 -69.13 0.25 Allowed 'General case' 0 CA--C 1.518 -0.287 0 CA-C-O 120.764 0.316 . . . . 0.0 110.326 179.72 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.23 -13.34 62.13 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-O 120.812 0.339 . . . . 0.0 110.989 179.328 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.421 ' CD2' ' O ' ' A' ' 53' ' ' GLN . 14.6 m-85 -97.4 26.52 4.83 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.0 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 16.1 ttp85 -101.95 -57.71 2.02 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.09 0.471 . . . . 0.0 110.987 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.42 139.98 43.71 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.079 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -139.16 -47.37 0.48 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.052 -179.662 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.261 0 CA-C-O 117.687 -1.149 . . . . 0.0 111.319 179.954 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.59 ' CG ' HD11 ' A' ' 34' ' ' ILE . 3.4 ptp . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.837 0.351 . . . . 0.0 111.174 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -83.05 139.9 32.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.965 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.703 ' CE ' HD11 ' A' ' 7' ' ' ILE . 34.5 tttt -59.32 -24.39 63.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.059 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.8 -38.38 67.25 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.032 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.98 -48.84 33.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.802 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.1 t -54.29 -57.13 6.8 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.018 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.703 HD11 ' CE ' ' A' ' 3' ' ' LYS . 46.3 mt -56.86 -26.76 24.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.119 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.96 -27.73 49.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.001 0.429 . . . . 0.0 110.343 179.651 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.477 ' CD2' HG22 ' A' ' 46' ' ' THR . 17.9 t60 -87.43 -29.11 21.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.725 179.78 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.565 ' HB3' ' HB3' ' A' ' 15' ' ' ALA . 55.0 m-85 -96.43 -27.38 14.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.132 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 92.37 -47.82 2.61 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.12 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.7 p -142.5 155.97 45.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.808 0.337 . . . . 0.0 110.51 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -54.86 -50.69 68.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.997 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.1 ttt-85 -44.9 -40.21 6.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.499 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.565 ' HB3' ' HB3' ' A' ' 10' ' ' PHE . . . -60.62 -51.12 70.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.072 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.45 HG13 ' CE2' ' A' ' 10' ' ' PHE . 0.9 OUTLIER -55.91 -40.92 65.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.199 179.927 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.78 ' HB1' ' O ' ' A' ' 22' ' ' ILE . . . -61.01 -30.01 70.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.168 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.3 mmtp -76.2 -30.87 58.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.996 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.45 ' HB2' ' HE1' ' A' ' 10' ' ' PHE . . . -76.24 -49.45 17.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.255 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.569 HD21 ' HG ' ' A' ' 42' ' ' LEU . 15.5 mt -79.93 -29.57 39.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.974 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 93.57 28.0 12.08 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.458 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.78 ' O ' ' HB1' ' A' ' 17' ' ' ALA . 31.6 pt -110.01 -179.57 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.82 0.343 . . . . 0.0 111.127 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 91.9 p -88.91 161.65 16.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.895 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.07 -31.39 72.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.944 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.36 -44.16 97.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.02 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.54 -42.89 93.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.083 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 28.7 t -60.9 -52.44 61.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.161 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.8 t -63.19 -36.47 83.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.981 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -61.15 -19.5 61.61 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.562 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.435 ' CE3' HG22 ' A' ' 34' ' ' ILE . 46.7 m0 -53.93 166.94 0.3 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.261 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.4 pttt -126.71 -166.61 1.61 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.16 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -44.67 -30.7 0.98 Allowed 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.386 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 30.5 t -130.51 120.7 49.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.85 179.587 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.59 HD11 ' CG ' ' A' ' 1' ' ' MET . 12.6 pt -54.59 157.88 4.76 Favored Pre-proline 0 C--N 1.33 -0.239 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.165 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_exo -51.0 171.35 0.12 Allowed 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.543 2.162 . . . . 0.0 112.425 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -77.69 -33.21 53.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.228 -179.745 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.1 mttp -90.02 -20.05 23.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.675 -179.605 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -79.73 -40.44 28.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.814 0.34 . . . . 0.0 110.544 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.555 ' HB3' ' CE2' ' A' ' 52' ' ' TYR . . . -62.92 -26.75 68.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.752 179.523 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.4 ' O ' HD12 ' A' ' 44' ' ' ILE . 72.0 t80 -74.14 -51.68 14.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.92 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.434 ' HB2' HD22 ' A' ' 20' ' ' LEU . 4.3 mtt180 -65.82 -24.15 66.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.096 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.569 ' HG ' HD21 ' A' ' 20' ' ' LEU . 9.9 mt -66.52 -34.65 78.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.36 -179.679 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.64 -51.34 70.35 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.976 0.417 . . . . 0.0 110.914 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.645 ' H ' HD12 ' A' ' 44' ' ' ILE . 3.5 mp -61.18 -47.01 95.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.985 -0.552 . . . . 0.0 112.421 -179.368 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.465 HG22 ' HA ' ' A' ' 42' ' ' LEU . 15.2 m -61.11 -42.33 92.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.881 0.372 . . . . 0.0 111.778 -179.232 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.64 ' HB ' ' HB3' ' A' ' 49' ' ' ALA . 23.4 p -79.83 6.5 10.88 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.848 -179.568 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 64.87 31.83 11.26 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-O 120.861 0.362 . . . . 0.0 111.121 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 79.61 26.07 57.38 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.673 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.64 ' HB3' ' HB ' ' A' ' 46' ' ' THR . . . -70.81 -32.12 69.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.912 0.387 . . . . 0.0 110.993 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.521 HD13 ' SD ' ' A' ' 1' ' ' MET . 3.5 mt -118.72 117.76 29.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.736 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 6.9 ttpp -79.92 119.49 22.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.073 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.555 ' CE2' ' HB3' ' A' ' 39' ' ' ALA . 12.0 t80 -61.71 139.7 58.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.028 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.41 ' O ' ' CD2' ' A' ' 57' ' ' TYR . 17.7 mm-40 -133.94 126.19 29.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.693 179.719 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -89.16 46.33 1.37 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.183 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -90.16 -54.72 3.9 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.64 179.672 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.581 ' O ' ' HB3' ' A' ' 60' ' ' ALA . . . -88.61 -18.67 27.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.197 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.517 ' CD2' ' CE1' ' A' ' 52' ' ' TYR . 22.7 m-85 -79.86 -23.86 41.65 Favored 'General case' 0 CA--C 1.528 0.127 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.981 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 7.1 tpm_? -79.97 -66.76 0.83 Allowed 'General case' 0 C--O 1.235 0.313 0 CA-C-O 121.004 0.431 . . . . 0.0 110.695 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -123.19 101.08 7.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.947 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.581 ' HB3' ' O ' ' A' ' 56' ' ' ALA . . . -169.39 119.49 0.68 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.198 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.202 -0.904 . . . . 0.0 111.098 -179.878 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.543 ' HB3' HD11 ' A' ' 34' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.855 0.359 . . . . 0.0 111.11 . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -89.14 147.35 24.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.632 ' CE ' HD11 ' A' ' 7' ' ' ILE . 7.6 tttt -57.12 -27.14 61.55 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.064 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.66 -48.39 79.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.019 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -61.0 -51.77 67.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.945 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.531 HG13 HD22 ' A' ' 42' ' ' LEU . 3.0 t -54.49 -52.56 38.95 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.434 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.17 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.632 HD11 ' CE ' ' A' ' 3' ' ' LYS . 57.7 mt -57.66 -27.92 30.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.14 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.36 -28.12 52.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.996 0.427 . . . . 0.0 110.45 179.681 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.521 ' CE1' HG22 ' A' ' 46' ' ' THR . 11.0 t-80 -85.33 -30.54 23.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.542 179.812 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.576 ' CG ' HG22 ' A' ' 16' ' ' VAL . 47.6 m-85 -94.38 -27.67 15.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.157 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 88.37 -52.63 4.06 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.279 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.408 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 0.8 OUTLIER -129.98 148.05 51.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.729 0.299 . . . . 0.0 110.674 179.828 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -56.55 -53.84 52.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.994 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.99 -31.57 3.3 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.309 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 12' ' ' THR . . . -61.8 -53.76 51.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.886 179.811 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.576 HG22 ' CG ' ' A' ' 10' ' ' PHE . 1.2 t -55.62 -41.02 62.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.077 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.32 -37.25 82.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.09 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.17 22.28 3.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.461 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.762 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . -125.58 -48.86 1.66 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.795 0.331 . . . . 0.0 111.096 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.91 HD23 HG21 ' A' ' 45' ' ' VAL . 11.2 mt -79.97 -30.81 39.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 113.14 27.73 3.59 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.49 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.427 HD12 ' HB3' ' A' ' 26' ' ' ALA . 30.6 pt -122.05 -178.9 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.882 0.372 . . . . 0.0 110.999 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 60.7 p -93.83 162.47 13.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -59.74 -32.15 70.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.853 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.2 -38.91 88.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.137 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.427 ' HB3' HD12 ' A' ' 22' ' ' ILE . . . -62.58 -38.11 88.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.146 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.8 t -67.94 -50.78 56.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.094 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.4 m -61.76 -29.71 70.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.941 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -71.84 -22.19 61.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.335 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.516 ' CE3' HG22 ' A' ' 34' ' ' ILE . 46.8 m0 -53.48 125.89 19.57 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.841 0.353 . . . . 0.0 111.063 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.7 mtmm -80.09 -163.49 0.55 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.624 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -49.58 -27.96 5.09 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.652 0.263 . . . . 0.0 110.991 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.529 HG12 ' HE1' ' A' ' 57' ' ' TYR . 16.1 t -127.91 127.15 67.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.839 0.352 . . . . 0.0 110.956 179.752 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.557 HD13 ' CD1' ' A' ' 42' ' ' LEU . 3.8 pt -57.42 154.61 22.55 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.398 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -55.58 162.76 5.96 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.556 2.171 . . . . 0.0 112.26 179.763 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.34 -54.08 28.83 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.263 -179.758 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.86 -19.3 64.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.558 -179.595 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -79.66 -45.46 19.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.836 0.35 . . . . 0.0 110.276 179.698 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.871 ' HA ' HD12 ' A' ' 42' ' ' LEU . . . -60.15 -28.44 67.91 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.003 179.564 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.413 ' O ' HD12 ' A' ' 44' ' ' ILE . 92.0 t80 -74.07 -45.46 49.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.99 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.842 ' O ' HG23 ' A' ' 45' ' ' VAL . 0.3 OUTLIER -71.07 -30.02 66.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 -179.849 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.871 HD12 ' HA ' ' A' ' 39' ' ' ALA . 11.8 mt -58.59 -43.45 89.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.06 -179.746 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 59.1 tt0 -49.3 -60.34 2.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.913 0.387 . . . . 0.0 110.77 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.635 ' H ' HD12 ' A' ' 44' ' ' ILE . 3.6 mp -56.14 -46.34 81.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.501 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.91 HG21 HD23 ' A' ' 20' ' ' LEU . 19.6 t -63.28 -35.75 73.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.51 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.635 ' HB ' ' HB3' ' A' ' 49' ' ' ALA . 70.7 p -87.58 11.7 14.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.7 -179.762 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 60.83 28.17 17.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.686 0.279 . . . . 0.0 111.143 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 83.35 29.69 32.63 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.665 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.635 ' HB3' ' HB ' ' A' ' 46' ' ' THR . . . -76.82 -42.3 40.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.841 0.353 . . . . 0.0 110.98 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' A' ' 50' ' ' LEU . 28.4 mt -108.21 125.58 51.81 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.842 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.06 105.73 13.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.988 -179.797 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -65.37 135.02 54.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.656 179.77 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -130.66 102.73 6.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.04 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -59.78 -22.59 62.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.952 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 13.0 p30 -57.45 -34.78 69.33 Favored 'General case' 0 C--O 1.224 -0.25 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.833 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -92.67 14.03 18.29 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.023 179.663 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.529 ' HE1' HG12 ' A' ' 33' ' ' VAL . 61.6 m-85 -140.43 22.88 2.35 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.787 0.327 . . . . 0.0 110.906 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 15.8 mtt180 -129.0 30.01 5.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.928 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -117.68 74.78 0.95 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.042 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -111.43 -32.77 6.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.019 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.141 -0.933 . . . . 0.0 111.015 179.965 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.598 ' HG2' HD11 ' A' ' 34' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.944 0.402 . . . . 0.0 111.175 . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -76.33 148.57 37.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.02 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.622 ' HE2' HD12 ' A' ' 7' ' ' ILE . 0.4 OUTLIER -70.27 -32.5 70.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.143 -179.937 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 16.3 ttpp -59.24 -19.97 50.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.495 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.55 -48.17 9.82 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.702 0.287 . . . . 0.0 111.252 -179.752 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.58 HG21 HG21 ' A' ' 34' ' ' ILE . 3.1 t -53.84 -44.74 61.34 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 CA-C-O 120.846 0.355 . . . . 0.0 111.184 -179.753 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.622 HD12 ' HE2' ' A' ' 3' ' ' LYS . 99.6 mt -70.34 -32.81 51.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.981 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.45 -25.37 50.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.602 179.676 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.6 t60 -84.07 -27.41 28.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.703 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.436 ' CD2' HG13 ' A' ' 16' ' ' VAL . 4.3 m-85 -91.5 -49.94 6.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.992 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 121.03 -29.04 5.9 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.488 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -152.4 179.15 8.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.767 0.318 . . . . 0.0 110.873 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 59.2 mt-30 -84.18 -44.54 13.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.894 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 6.9 ttm180 -59.16 -30.86 68.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.931 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.28 -35.28 79.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.072 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.487 HG11 HG12 ' A' ' 6' ' ' VAL . 0.0 OUTLIER -82.37 -35.75 13.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 179.917 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.552 ' HB1' ' O ' ' A' ' 22' ' ' ILE . . . -68.14 -27.38 66.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.252 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.7 -30.94 22.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.919 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.724 ' HB1' HG21 ' A' ' 45' ' ' VAL . . . -68.35 -49.49 59.92 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.165 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.608 HD22 ' HG3' ' A' ' 41' ' ' ARG . 20.6 mt -80.03 -33.6 39.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 106.2 27.29 5.65 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.658 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.552 ' O ' ' HB1' ' A' ' 17' ' ' ALA . 24.8 pt -112.44 -179.99 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.838 0.351 . . . . 0.0 111.068 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -88.95 161.49 16.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -59.05 -31.35 68.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.975 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.61 -41.54 92.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.04 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.11 -45.07 83.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.118 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.428 HG13 ' CZ3' ' A' ' 30' ' ' TRP . 51.5 t -62.96 -42.05 95.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 76.7 p -71.88 -30.94 65.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.995 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.3 -10.55 59.56 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.545 179.825 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.434 ' CD1' ' HD3' ' A' ' 35' ' ' PRO . 21.1 m0 -58.61 130.29 46.15 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.755 0.312 . . . . 0.0 110.699 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.7 mtmm -81.91 -168.46 1.93 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.272 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -48.2 -37.89 16.96 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.771 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 24.3 t -118.07 122.97 70.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.662 179.503 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.616 HD12 ' HA ' ' A' ' 39' ' ' ALA . 7.9 pt -55.82 157.42 7.95 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.425 -179.643 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.434 ' HD3' ' CD1' ' A' ' 30' ' ' TRP . 74.9 Cg_exo -49.11 166.52 0.17 Allowed 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.777 2.318 . . . . 0.0 112.76 -179.714 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.426 ' HG2' ' OH ' ' A' ' 52' ' ' TYR . 6.0 tm-20 -74.05 -36.35 64.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.305 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.8 mttt -90.04 -19.61 24.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.723 -179.496 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -79.75 -41.28 26.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.941 0.401 . . . . 0.0 110.665 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.616 ' HA ' HD12 ' A' ' 34' ' ' ILE . . . -64.52 -24.66 67.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.21 179.643 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -67.67 -75.34 0.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.276 -179.617 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.608 ' HG3' HD22 ' A' ' 20' ' ' LEU . 15.4 ptt180 -51.86 -25.33 7.68 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.326 -179.68 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.442 HD12 ' HA ' ' A' ' 39' ' ' ALA . 9.2 mt -57.74 -37.3 73.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.867 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -63.47 -30.79 71.86 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.884 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.7 mt -79.01 -49.45 20.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.185 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.724 HG21 ' HB1' ' A' ' 19' ' ' ALA . 0.4 OUTLIER -60.09 -39.34 80.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.213 -179.825 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.401 ' N ' ' CG1' ' A' ' 45' ' ' VAL . 72.8 p -82.1 26.51 0.52 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.783 -0.644 . . . . 0.0 112.066 -179.324 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 50.52 27.14 2.71 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.76 0.314 . . . . 0.0 111.462 179.717 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 76.76 22.64 71.67 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.644 -0.788 . . . . 0.0 112.626 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.6 -54.77 38.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.86 0.362 . . . . 0.0 110.897 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.0 mt -86.96 167.25 14.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.628 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.79 125.45 44.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.923 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.516 ' CE1' ' CD2' ' A' ' 57' ' ' TYR . 13.5 t80 -72.84 130.69 41.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.129 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.471 ' O ' ' CD2' ' A' ' 57' ' ' TYR . 4.9 mt-30 -124.27 124.41 42.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.363 179.659 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -87.58 29.74 0.86 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.665 -179.549 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -90.4 -36.03 14.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.653 0.263 . . . . 0.0 110.526 179.567 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -94.81 -16.52 22.9 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.196 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.516 ' CD2' ' CE1' ' A' ' 52' ' ' TYR . 22.2 m-85 -94.31 22.0 6.45 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.1 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 38.5 mtt-85 -110.01 -175.37 2.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.731 0.3 . . . . 0.0 110.708 -179.601 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -147.46 130.86 16.64 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.08 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . 59.68 176.09 0.08 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.095 0.474 . . . . 0.0 110.508 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.257 1.461 0 CA-C-O 118.176 -0.916 . . . . 0.0 111.054 179.881 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 32.2 tpp . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.801 0.334 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -75.44 140.55 42.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.792 179.857 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.22 -40.75 86.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.086 -179.91 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 21.8 ttpt -52.64 -40.92 63.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.242 -179.912 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -60.44 -51.46 69.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.993 179.934 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.435 ' H ' HG23 ' A' ' 6' ' ' VAL . 2.8 t -57.97 -41.75 80.97 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.219 -179.931 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 50.3 mm -69.52 -37.19 74.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.268 -179.787 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.8 -24.89 58.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.351 179.747 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.544 ' CE1' HG22 ' A' ' 46' ' ' THR . 12.4 t-80 -83.51 -25.35 31.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.655 179.808 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.408 ' CE2' ' HA ' ' A' ' 16' ' ' VAL . 3.1 m-85 -98.01 -43.76 6.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.989 -179.798 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 112.34 -27.38 10.1 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.382 -179.763 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 47.6 p -151.29 179.37 8.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.819 0.342 . . . . 0.0 110.771 179.928 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -89.01 -51.17 5.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.864 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.8 tpp180 -52.29 -29.61 24.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.1 179.855 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.15 -48.43 80.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.989 179.922 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.408 ' HA ' ' CE2' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -59.99 -32.3 49.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 -179.979 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.853 ' HB1' ' O ' ' A' ' 22' ' ' ILE . . . -63.22 -29.28 70.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.074 -179.92 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.4 mttt -76.28 -46.2 28.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.902 -179.984 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.967 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . -59.35 -47.17 86.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.141 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 8.5 mt -84.9 -30.86 24.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.71 26.61 19.48 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.382 -179.932 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.853 ' O ' ' HB1' ' A' ' 17' ' ' ALA . 42.2 pt -109.41 -178.71 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.857 0.361 . . . . 0.0 111.083 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.73 162.19 16.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 179.915 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -58.88 -30.41 67.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.956 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.48 -45.34 91.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.155 -179.943 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.719 ' HB3' HD12 ' A' ' 22' ' ' ILE . . . -58.42 -36.85 74.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.152 179.911 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.413 HG13 ' CZ3' ' A' ' 30' ' ' TRP . 45.5 t -75.63 -44.78 40.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.099 179.905 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.4 t -69.35 -30.8 68.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.862 -179.963 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -71.13 -19.75 62.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.255 179.93 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.413 ' CZ3' HG13 ' A' ' 27' ' ' VAL . 31.4 m0 -52.34 123.44 10.83 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.89 0.376 . . . . 0.0 111.106 -179.95 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.25 -165.52 0.87 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.489 -179.905 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -49.44 -31.67 10.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.131 179.963 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 24.0 t -127.34 111.66 25.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.011 0.434 . . . . 0.0 111.11 179.919 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.565 HG13 ' HB2' ' A' ' 39' ' ' ALA . 35.6 pt -58.39 159.31 12.1 Favored Pre-proline 0 C--N 1.331 -0.23 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.19 179.912 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -49.91 161.53 0.93 Allowed 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.646 2.231 . . . . 0.0 112.354 -179.912 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -69.31 -39.87 77.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.136 -179.889 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.3 mmtp -82.6 -17.47 44.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.427 -179.718 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -79.78 -48.75 13.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.789 0.328 . . . . 0.0 110.435 179.733 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.565 ' HB2' HG13 ' A' ' 34' ' ' ILE . . . -60.51 -27.58 67.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.798 179.461 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -70.32 -53.39 16.94 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.876 179.855 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.34 -26.48 61.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.052 179.948 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 42' ' ' LEU . 31.1 mt -59.31 -44.05 92.59 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.076 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.56 -46.88 70.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.012 179.917 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.476 ' N ' HD13 ' A' ' 44' ' ' ILE . 3.9 mm -59.34 -48.42 87.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.975 -179.809 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.967 HG11 ' HB1' ' A' ' 19' ' ' ALA . 7.8 m -69.49 -39.97 79.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.334 -0.393 . . . . 0.0 112.023 -179.241 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.544 HG22 ' CE1' ' A' ' 9' ' ' HIS . 79.2 p -79.77 14.67 1.63 Allowed 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -179.215 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 58.86 26.72 15.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.746 0.308 . . . . 0.0 111.28 179.625 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 73.43 40.5 47.88 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.628 179.978 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -86.0 -43.91 12.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.912 0.387 . . . . 0.0 110.991 179.968 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 10.5 mt -94.06 124.44 38.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.817 179.87 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 17.3 pttt -80.47 112.18 17.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.06 -179.761 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.506 ' CE1' ' CD2' ' A' ' 57' ' ' TYR . 10.2 t80 -61.95 117.67 6.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.916 179.774 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -99.58 115.94 30.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.934 179.968 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -90.29 34.37 0.87 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.334 -179.9 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -88.61 -45.93 9.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.827 0.346 . . . . 0.0 110.572 179.803 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -89.82 -10.07 46.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.333 179.73 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.506 ' CD2' ' CE1' ' A' ' 52' ' ' TYR . 35.0 m-85 -90.41 11.7 20.73 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.327 -179.935 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.68 -30.39 14.33 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-O 120.76 0.314 . . . . 0.0 111.0 179.904 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -139.96 98.77 3.53 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.532 -179.804 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . 59.89 -177.82 0.1 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.793 179.4 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.177 0 CA-C-O 118.058 -0.972 . . . . 0.0 111.523 179.823 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.537 ' HB3' HD11 ' A' ' 34' ' ' ILE . 1.9 ttm . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.894 0.378 . . . . 0.0 111.148 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.461 ' O ' HG23 ' A' ' 6' ' ' VAL . 2.1 m-85 -86.14 138.56 31.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.488 ' HD3' HD11 ' A' ' 7' ' ' ILE . 0.1 OUTLIER -59.46 -31.4 69.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.963 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.71 -31.82 71.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.803 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 47.8 m-20 -79.4 -45.62 19.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.844 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 2' ' ' TYR . 2.8 t -56.35 -51.43 64.08 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.182 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.488 HD11 ' HD3' ' A' ' 3' ' ' LYS . 56.3 mt -58.97 -29.4 40.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.184 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.57 -26.21 54.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.977 0.418 . . . . 0.0 110.538 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.507 ' CD2' HG22 ' A' ' 46' ' ' THR . 13.4 t60 -84.65 -30.79 24.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.576 179.758 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.543 ' CE2' HG13 ' A' ' 16' ' ' VAL . 41.4 m-85 -94.68 -29.78 14.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.193 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 87.86 -52.62 4.19 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.136 -179.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 20.8 p -125.24 135.37 52.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.782 0.325 . . . . 0.0 110.472 179.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -50.22 -48.84 54.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.298 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 12.0 mtp180 -47.97 -32.08 6.05 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.181 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.35 -50.84 64.07 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.077 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.543 HG13 ' CE2' ' A' ' 10' ' ' PHE . 0.8 OUTLIER -55.62 -46.17 79.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.071 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.8 ' HB1' ' O ' ' A' ' 22' ' ' ILE . . . -60.0 -33.21 71.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.097 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -75.01 -30.09 61.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.941 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.811 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . -70.19 -49.47 49.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.022 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.743 HD21 ' HG ' ' A' ' 42' ' ' LEU . 9.1 mt -80.01 -33.62 39.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 106.66 27.61 5.41 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.592 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.8 ' O ' ' HB1' ' A' ' 17' ' ' ALA . 29.9 pt -115.42 -179.54 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.829 0.347 . . . . 0.0 111.098 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.2 m -88.08 162.95 16.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 26.0 p-10 -63.14 -32.16 73.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.96 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.1 -43.51 95.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.94 -38.76 79.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.139 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 25.7 t -63.92 -52.12 60.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.169 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.63 -33.53 75.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.32 -21.28 66.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.246 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.676 ' CE3' HG22 ' A' ' 34' ' ' ILE . 48.0 m0 -54.21 165.99 0.45 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.201 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.9 mttm -121.39 -163.64 1.06 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.646 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -49.29 -28.22 4.57 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.046 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.7 t -129.75 116.69 39.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 179.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.676 HG22 ' CE3' ' A' ' 30' ' ' TRP . 8.9 pt -56.82 155.11 15.84 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.264 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -50.79 159.55 2.28 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.555 2.17 . . . . 0.0 112.42 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -67.84 -35.04 77.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.1 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -83.19 -23.79 32.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.309 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -79.82 -42.16 24.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.815 0.34 . . . . 0.0 110.342 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.545 ' HA ' HD12 ' A' ' 34' ' ' ILE . . . -64.35 -27.0 68.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.73 179.445 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 89.7 t80 -66.54 -69.11 0.32 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.029 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.3 -28.62 59.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.161 -179.763 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.743 ' HG ' HD21 ' A' ' 20' ' ' LEU . 10.9 mt -59.06 -33.31 70.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.062 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 55.7 tt0 -68.65 -20.95 64.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.329 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.8 mt -88.36 -50.24 13.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.869 0.366 . . . . 0.0 111.376 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.811 HG11 ' HB1' ' A' ' 19' ' ' ALA . 2.5 m -58.69 -37.35 65.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.301 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.507 HG22 ' CD2' ' A' ' 9' ' ' HIS . 70.5 p -80.03 5.57 13.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.798 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.422 ' HB3' ' O ' ' A' ' 46' ' ' THR . . . 67.53 33.99 4.85 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-O 120.803 0.335 . . . . 0.0 110.997 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 76.06 25.88 65.58 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.608 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.84 -62.38 1.91 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.928 0.394 . . . . 0.0 111.016 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.7 mt -95.62 123.84 39.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.742 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.99 119.35 22.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.921 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.473 ' CE1' ' CD2' ' A' ' 57' ' ' TYR . 3.6 t80 -68.31 133.89 49.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.104 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.44 142.29 48.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.491 179.773 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -86.06 45.12 1.19 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.345 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -90.34 -62.0 1.56 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.847 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -85.07 -7.47 59.09 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.703 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.473 ' CD2' ' CE1' ' A' ' 52' ' ' TYR . 17.6 m-85 -106.49 30.71 5.78 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.526 -0.307 . . . . 0.0 110.898 -179.709 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.932 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.473 ' HB3' HD11 ' A' ' 34' ' ' ILE . 10.1 ttm . . . . . 0 N--CA 1.484 1.258 0 CA-C-O 120.968 0.414 . . . . 0.0 111.27 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 74.4 m-85 -91.0 145.9 24.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.851 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 5.1 ttpm? -54.53 -29.79 51.8 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.938 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 69.0 tttt -61.48 -40.48 94.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.749 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -65.91 -53.84 34.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.935 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.3 t -54.06 -51.04 50.18 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.429 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.085 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 45.3 mt -60.91 -26.43 38.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.977 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.84 -27.67 55.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.365 179.714 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.476 ' CE1' ' HB ' ' A' ' 46' ' ' THR . 18.3 t60 -85.8 -33.45 21.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.588 179.768 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.719 ' CE2' HG13 ' A' ' 16' ' ' VAL . 40.4 m-85 -90.45 -38.24 13.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.182 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.28 -36.44 3.81 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.196 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.9 p -145.26 143.84 30.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.734 0.302 . . . . 0.0 110.571 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -52.82 -49.17 66.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.185 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -48.41 -38.96 20.97 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.432 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.92 -48.09 83.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.041 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.719 HG13 ' CE2' ' A' ' 10' ' ' PHE . 0.4 OUTLIER -59.07 -49.12 84.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.058 -179.885 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.646 ' HB1' ' O ' ' A' ' 22' ' ' ILE . . . -58.16 -38.77 77.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.192 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.96 -29.51 66.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.029 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -80.89 -44.77 17.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.187 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 64.9 mt -79.92 -30.73 40.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.929 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 105.76 -7.64 42.21 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.869 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.646 ' O ' ' HB1' ' A' ' 17' ' ' ALA . 37.8 pt -80.0 177.71 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-O 120.861 0.363 . . . . 0.0 111.115 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.9 m -85.57 159.07 19.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -59.69 -30.46 68.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.929 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.6 -38.69 87.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.107 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.565 ' HB3' HD12 ' A' ' 22' ' ' ILE . . . -59.69 -43.55 94.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.097 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 62.4 t -69.18 -34.54 63.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.081 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.6 p -72.9 -31.69 64.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -74.45 -16.23 60.87 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.294 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 17.1 m0 -52.45 125.97 17.91 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.785 0.326 . . . . 0.0 111.178 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.5 mmmt -80.23 -163.78 0.6 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.624 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -51.16 -33.68 28.01 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.846 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.528 HG12 ' HE1' ' A' ' 57' ' ' TYR . 19.4 t -126.15 130.19 72.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.986 0.422 . . . . 0.0 110.992 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.473 HD11 ' HB3' ' A' ' 1' ' ' MET . 35.1 pt -66.63 162.27 52.4 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.215 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_exo -56.84 161.68 9.97 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.407 2.071 . . . . 0.0 111.945 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.402 ' CG ' ' HB3' ' A' ' 57' ' ' TYR . 4.2 tm-20 -68.36 -32.74 73.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.44 -179.741 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -88.95 -17.41 29.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.683 -179.57 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -79.76 -41.72 26.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.88 0.371 . . . . 0.0 110.367 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.636 ' HA ' HD12 ' A' ' 42' ' ' LEU . . . -59.84 -27.27 66.5 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.154 179.574 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -74.58 -46.16 40.54 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.155 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.4 mtp180 -62.57 -31.9 72.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.384 -179.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.636 HD12 ' HA ' ' A' ' 39' ' ' ALA . 86.2 mt -58.75 -40.84 85.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.217 -179.685 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -61.43 -18.16 57.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.471 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.8 mt -92.58 -50.13 12.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.833 0.349 . . . . 0.0 111.41 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.442 HG23 HG23 ' A' ' 46' ' ' THR . 3.4 m -64.25 -38.95 83.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.256 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.567 ' HB ' ' HB3' ' A' ' 49' ' ' ALA . 43.9 p -80.04 4.79 16.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.739 -179.735 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 65.29 31.19 10.78 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.981 0.42 . . . . 0.0 111.023 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.34 24.92 53.06 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.632 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.567 ' HB3' ' HB ' ' A' ' 46' ' ' THR . . . -66.9 -55.75 13.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.872 0.367 . . . . 0.0 111.023 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.418 ' CD1' HG21 ' A' ' 46' ' ' THR . 4.8 mp -91.07 132.17 36.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.812 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.5 mppt? -84.68 97.06 9.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.005 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.436 ' HA ' ' HE3' ' A' ' 1' ' ' MET . 21.5 t80 -60.82 133.68 56.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.625 179.669 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -136.52 111.12 8.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.053 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.36 -15.24 56.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.161 179.771 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 32.4 m-20 -50.61 -45.47 57.54 Favored 'General case' 0 C--O 1.223 -0.299 0 CA-C-O 120.706 0.289 . . . . 0.0 111.118 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -90.24 13.56 14.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.984 179.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.528 ' HE1' HG12 ' A' ' 33' ' ' VAL . 58.3 m-85 -133.18 25.32 4.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.896 0.379 . . . . 0.0 110.876 -179.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.235 0.341 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.722 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.487 ' SD ' HD22 ' A' ' 50' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.488 1.45 0 CA-C-O 120.863 0.364 . . . . 0.0 111.227 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.413 ' HA ' ' HA ' ' A' ' 33' ' ' VAL . 10.5 m-85 -84.42 141.11 31.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.938 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.95 -29.14 59.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.161 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.53 -26.81 63.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.196 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -83.8 -46.58 12.05 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.994 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.594 HG21 HG21 ' A' ' 34' ' ' ILE . 3.5 t -53.35 -55.41 12.99 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.409 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.403 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 42.4 mt -56.16 -27.38 23.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.1 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.28 -28.39 47.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.017 0.437 . . . . 0.0 110.487 179.714 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.665 ' NE2' HG22 ' A' ' 46' ' ' THR . 8.2 t60 -85.57 -30.03 23.66 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.662 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.665 ' CE2' HG13 ' A' ' 16' ' ' VAL . 55.2 m-85 -96.12 -28.49 14.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.103 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 88.59 -52.23 3.97 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.041 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.9 p -133.32 141.25 47.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.731 0.3 . . . . 0.0 110.534 179.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.47 -47.08 57.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.092 -179.773 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.2 ttp85 -47.13 -32.96 4.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.315 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.409 ' HB3' ' HB3' ' A' ' 10' ' ' PHE . . . -65.53 -50.96 63.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.057 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.665 HG13 ' CE2' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -59.84 -41.85 87.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.594 ' HB1' ' O ' ' A' ' 22' ' ' ILE . . . -57.81 -33.15 68.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.105 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.3 ttmm -78.76 -30.28 45.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.924 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.623 ' HB1' ' CB ' ' A' ' 45' ' ' VAL . . . -74.44 -48.17 29.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.101 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.677 HD21 ' HG ' ' A' ' 42' ' ' LEU . 6.5 mt -80.08 -33.11 39.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 98.33 27.94 8.37 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.508 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.594 ' O ' ' HB1' ' A' ' 17' ' ' ALA . 39.4 pt -113.78 179.89 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.87 0.367 . . . . 0.0 111.047 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 39.8 m -80.46 149.9 29.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 19.0 p-10 -60.23 -31.79 70.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.881 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.34 -42.32 98.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.098 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.66 -35.56 74.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.038 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.502 HG13 ' CZ3' ' A' ' 30' ' ' TRP . 39.7 t -66.52 -50.76 64.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.062 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.86 -30.9 71.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -67.43 -19.28 65.35 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.307 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.502 ' CZ3' HG13 ' A' ' 27' ' ' VAL . 33.7 m0 -52.04 148.82 5.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.741 0.305 . . . . 0.0 111.182 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.4 mttt -96.04 -163.9 1.1 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.3 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.406 ' O ' ' CD2' ' A' ' 2' ' ' TYR . 8.4 mt-10 -51.04 -29.14 11.9 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.935 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.413 ' HA ' ' HA ' ' A' ' 2' ' ' TYR . 19.7 t -126.9 136.66 60.17 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.408 0 CA-C-N 116.587 -0.279 . . . . 0.0 110.939 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.594 HG21 HG21 ' A' ' 6' ' ' VAL . 8.3 pt -70.49 152.51 95.4 Favored Pre-proline 0 C--N 1.331 -0.202 0 CA-C-O 120.846 0.355 . . . . 0.0 111.225 -179.807 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_exo -51.78 -175.96 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.684 2.256 . . . . 0.0 112.461 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.52 -49.41 7.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.207 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 43.8 mttp -71.35 -20.62 62.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.479 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -79.64 -46.41 17.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.88 0.372 . . . . 0.0 110.306 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.849 ' HA ' HD12 ' A' ' 42' ' ' LEU . . . -61.49 -25.72 67.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.898 179.543 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 80.2 t80 -70.54 -59.46 2.83 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.059 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.78 -29.53 70.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.224 -179.737 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.849 HD12 ' HA ' ' A' ' 39' ' ' ALA . 17.7 mt -55.14 -37.77 67.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.324 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -66.56 -23.38 66.2 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.31 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.8 mt -85.83 -49.04 15.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.787 0.327 . . . . 0.0 111.504 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.623 ' CB ' ' HB1' ' A' ' 19' ' ' ALA . 2.8 m -61.09 -37.54 77.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.403 -179.729 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.665 HG22 ' NE2' ' A' ' 9' ' ' HIS . 55.0 p -79.98 7.66 8.54 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.876 -179.651 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 65.73 30.41 10.24 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.847 0.356 . . . . 0.0 111.018 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 79.39 8.98 87.4 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.891 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.407 ' HB3' ' HB ' ' A' ' 46' ' ' THR . . . -63.74 -38.75 92.29 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.816 0.341 . . . . 0.0 110.837 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.487 HD22 ' SD ' ' A' ' 1' ' ' MET . 14.3 mt -106.78 121.9 45.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.736 179.767 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.0 135.05 36.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.916 -179.665 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -92.76 128.14 38.51 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.675 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 68.1 mm-40 -118.91 108.11 14.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.776 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -79.15 3.66 16.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.554 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 67.0 m-20 -53.28 -70.44 0.09 Allowed 'General case' 0 C--O 1.225 -0.189 0 CA-C-O 120.647 0.26 . . . . 0.0 110.847 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.0 -16.92 62.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.178 179.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -94.21 19.79 8.9 Favored 'General case' 0 CA--C 1.528 0.112 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.3 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.33 -0.276 0 CA-C-O 120.845 0.355 . . . . 0.0 110.855 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.578 ' CG ' HD11 ' A' ' 34' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.922 0.392 . . . . 0.0 111.166 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.418 ' CE2' ' HG2' ' A' ' 32' ' ' GLU . 3.0 m-85 -82.71 159.34 22.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.882 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.79 -33.98 77.11 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.939 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -51.56 -45.49 63.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.225 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -60.81 -52.72 63.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.741 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.531 HG21 HG21 ' A' ' 34' ' ' ILE . 2.9 t -56.65 -49.52 77.65 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.961 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 35.3 mm -59.45 -30.85 45.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.061 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.26 -25.05 51.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.553 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 20.9 t60 -84.35 -31.6 24.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.57 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.474 ' CE2' HG13 ' A' ' 16' ' ' VAL . 46.0 m-85 -94.2 -41.03 9.7 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.076 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 96.15 -33.2 5.76 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.332 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.7 p -146.57 147.77 31.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.841 0.353 . . . . 0.0 110.673 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -56.9 -50.89 71.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.007 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.7 mtm105 -44.35 -42.55 6.9 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.426 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.33 -50.91 72.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.901 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.474 HG13 ' CE2' ' A' ' 10' ' ' PHE . 1.1 t -57.7 -46.91 86.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.209 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.09 -40.19 76.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.158 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.19 -28.43 63.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.689 ' HB1' ' CG1' ' A' ' 45' ' ' VAL . . . -75.08 -53.12 9.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.131 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.65 HD22 ' HB2' ' A' ' 41' ' ' ARG . 9.7 mt -79.87 -34.47 39.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.849 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 89.54 48.33 3.74 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.418 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.2 pt -111.73 -96.41 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.506 0.193 . . . . 0.0 111.042 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.6 m -175.87 154.75 1.55 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.799 0.333 . . . . 0.0 110.804 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.01 -19.56 44.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.093 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.34 -45.68 15.8 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.777 0.322 . . . . 0.0 111.146 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.4 ' O ' ' CD1' ' A' ' 30' ' ' TRP . . . -57.94 -44.55 87.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.124 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 46.4 t -65.07 -43.8 95.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.035 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.53 -29.44 67.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.955 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -80.81 -11.19 59.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.467 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.4 ' CD1' ' O ' ' A' ' 26' ' ' ALA . 24.2 m0 -53.97 127.78 27.71 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.882 0.372 . . . . 0.0 111.093 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.5 mttm -83.29 -166.68 1.43 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.027 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.418 ' HG2' ' CE2' ' A' ' 2' ' ' TYR . 0.2 OUTLIER -49.31 -28.04 4.48 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.696 0.284 . . . . 0.0 111.056 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.491 HG12 ' HE1' ' A' ' 57' ' ' TYR . 13.3 t -127.89 133.32 67.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.069 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.578 HD11 ' CG ' ' A' ' 1' ' ' MET . 29.8 pt -68.72 151.71 97.1 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.35 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -52.57 163.61 1.76 Allowed 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.505 2.137 . . . . 0.0 112.281 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -68.4 -44.73 74.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.171 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.1 mtpp -76.65 -19.29 57.93 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.433 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -79.72 -45.24 19.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.909 0.385 . . . . 0.0 110.384 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.5 ' HA ' HD12 ' A' ' 34' ' ' ILE . . . -61.46 -25.94 67.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.055 179.61 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 44.5 t80 -69.83 -55.18 10.5 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.912 0.387 . . . . 0.0 111.127 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.65 ' HB2' HD22 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -57.76 -28.21 63.75 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.342 -179.748 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.646 HD13 HD13 ' A' ' 50' ' ' LEU . 23.7 mt -50.43 -48.31 56.34 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.915 0.388 . . . . 0.0 111.3 -179.741 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -59.22 -20.03 50.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.375 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.7 mt -91.19 -48.44 13.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.796 0.332 . . . . 0.0 111.499 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.689 ' CG1' ' HB1' ' A' ' 19' ' ' ALA . 5.1 m -67.32 -40.56 85.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.391 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.622 ' HB ' ' HB3' ' A' ' 49' ' ' ALA . 38.6 p -79.77 2.2 23.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.667 -179.721 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 66.33 30.94 8.69 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.87 0.367 . . . . 0.0 110.996 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 83.22 26.38 44.28 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.699 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.622 ' HB3' ' HB ' ' A' ' 46' ' ' THR . . . -85.06 -38.57 19.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.882 0.372 . . . . 0.0 110.974 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.646 HD13 HD13 ' A' ' 42' ' ' LEU . 36.8 mt -99.03 124.07 43.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.851 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.2 tptt -79.91 121.53 25.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.954 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 13.6 t80 -93.48 127.4 39.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.693 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -130.75 117.05 18.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.801 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -71.95 -5.52 35.38 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.664 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 34.0 m-20 -47.37 -67.93 0.23 Allowed 'General case' 0 C--O 1.227 -0.115 0 CA-C-O 120.659 0.266 . . . . 0.0 111.183 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.11 -14.9 63.35 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.866 179.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.491 ' HE1' HG12 ' A' ' 33' ' ' VAL . 27.8 m-85 -99.65 24.87 7.73 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.855 0.36 . . . . 0.0 111.189 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.7 mtt85 . . . . . 0 C--O 1.233 0.229 0 CA-C-O 120.93 0.395 . . . . 0.0 110.702 -179.969 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.711 ' HG3' HD22 ' A' ' 50' ' ' LEU . 12.1 ttm . . . . . 0 N--CA 1.485 1.322 0 CA-C-O 120.817 0.342 . . . . 0.0 111.278 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.516 ' O ' HG23 ' A' ' 6' ' ' VAL . 3.1 m-85 -89.88 149.96 22.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.022 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.8 ttpm? -64.37 -36.25 83.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.3 tppt? -57.8 -42.06 83.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.996 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -63.45 -50.52 69.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.084 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 2' ' ' TYR . 2.9 t -56.07 -47.72 79.99 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.422 0 CA-C-O 120.92 0.39 . . . . 0.0 111.264 -179.773 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 80.5 mt -63.64 -35.15 71.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.164 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.34 -24.47 50.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.581 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 18.7 t60 -83.44 -25.21 31.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.732 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.457 ' CE2' ' HA ' ' A' ' 16' ' ' VAL . 3.8 m-85 -95.74 -48.64 5.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.957 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 123.45 -28.14 5.59 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.397 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.2 p -150.71 -179.08 6.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.816 0.341 . . . . 0.0 110.784 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -86.32 -53.04 5.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.823 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.75 -28.99 52.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.967 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.401 ' HA ' ' CD ' ' A' ' 18' ' ' LYS . . . -63.63 -45.36 90.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.968 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.457 ' HA ' ' CE2' ' A' ' 10' ' ' PHE . 1.0 OUTLIER -59.51 -29.36 42.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.247 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.815 ' HB1' ' O ' ' A' ' 22' ' ' ILE . . . -74.54 -24.53 58.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.547 -179.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.401 ' CD ' ' HA ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -90.3 20.75 4.22 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.573 -179.844 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 1.016 ' HB1' HG21 ' A' ' 45' ' ' VAL . . . -120.7 -42.7 2.51 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.857 0.361 . . . . 0.0 111.031 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.559 HD21 ' HG ' ' A' ' 42' ' ' LEU . 3.0 mt -93.67 -29.89 15.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 109.04 35.1 2.41 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.5 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.815 ' O ' ' HB1' ' A' ' 17' ' ' ALA . 27.3 pt -123.03 -177.97 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.828 0.347 . . . . 0.0 111.114 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.419 ' O ' HG23 ' A' ' 27' ' ' VAL . 22.4 m -99.49 176.93 5.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.939 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -69.39 -29.15 66.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.964 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.37 -48.2 76.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.13 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.93 -31.2 68.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.224 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 23' ' ' SER . 45.9 t -74.86 -44.49 45.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.097 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.07 -29.8 68.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -73.61 -19.59 60.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.451 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.556 ' CD2' HG22 ' A' ' 34' ' ' ILE . 34.8 m0 -52.72 136.53 33.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.951 0.405 . . . . 0.0 111.194 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.8 mttm -86.97 -167.06 1.75 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.599 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -49.09 -29.23 4.93 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.746 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 33.5 t -130.82 116.15 33.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.738 179.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.556 HG22 ' CD2' ' A' ' 30' ' ' TRP . 12.5 pt -52.32 160.11 1.37 Allowed Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.361 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -49.38 176.44 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.679 2.253 . . . . 0.0 112.571 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -83.23 -31.65 26.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.007 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.36 -21.86 22.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.369 -179.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -79.9 -41.43 26.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.892 0.377 . . . . 0.0 110.792 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.547 ' HB2' HG13 ' A' ' 34' ' ' ILE . . . -69.08 -25.72 64.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.971 179.672 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 92.0 t80 -68.72 -59.96 2.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.961 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.416 ' HB2' HD22 ' A' ' 20' ' ' LEU . 28.7 mtt180 -56.36 -28.87 60.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.05 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.559 ' HG ' HD21 ' A' ' 20' ' ' LEU . 11.9 mt -58.3 -46.27 86.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.005 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -53.34 -28.98 31.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.171 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.0 mt -88.2 -44.18 15.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.916 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 1.016 HG21 ' HB1' ' A' ' 19' ' ' ALA . 0.3 OUTLIER -62.89 -38.93 83.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.108 179.931 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.605 ' HB ' ' HB3' ' A' ' 49' ' ' ALA . 36.4 p -79.63 2.18 23.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.765 -179.652 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.434 ' HB3' ' O ' ' A' ' 46' ' ' THR . . . 68.71 39.62 1.96 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.954 0.407 . . . . 0.0 111.271 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 71.94 25.4 74.88 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.653 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.605 ' HB3' ' HB ' ' A' ' 46' ' ' THR . . . -74.45 -50.83 16.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.887 0.375 . . . . 0.0 111.03 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.711 HD22 ' HG3' ' A' ' 1' ' ' MET . 2.8 mt -90.9 148.12 22.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.819 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.52 123.65 47.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.938 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.498 ' CE1' ' CD2' ' A' ' 57' ' ' TYR . 14.7 t80 -80.28 130.52 35.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.028 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -126.75 106.31 9.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -59.54 -20.93 59.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.195 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 33.0 m120 -52.23 -28.1 17.32 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.163 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -97.44 -25.75 15.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.191 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.498 ' CD2' ' CE1' ' A' ' 52' ' ' TYR . 24.3 m-85 -98.41 29.51 3.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.975 -179.697 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.3 ptt180 . . . . . 0 CA--C 1.534 0.328 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.869 -179.691 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.6 mtm . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.774 0.321 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.553 ' O ' HG23 ' A' ' 6' ' ' VAL . 3.7 m-85 -92.79 147.12 23.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.869 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 19.6 tttm -56.98 -30.61 64.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -71.04 -41.88 70.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.956 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -61.74 -52.38 64.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.131 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 2' ' ' TYR . 3.2 t -55.06 -47.52 76.97 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.341 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 98.3 mt -64.35 -32.66 58.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.107 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.55 -27.74 51.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.491 179.776 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.401 ' O ' ' CD2' ' A' ' 9' ' ' HIS . 7.6 t60 -84.73 -26.49 27.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.812 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.73 ' CE2' HG13 ' A' ' 16' ' ' VAL . 3.5 m-85 -92.47 -49.87 5.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.965 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.467 ' O ' HG23 ' A' ' 12' ' ' THR . . . 118.01 -27.75 7.29 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.425 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.467 HG23 ' O ' ' A' ' 11' ' ' GLY . 0.9 OUTLIER -159.69 159.22 32.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.748 0.308 . . . . 0.0 110.823 179.881 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.408 ' O ' HG23 ' A' ' 16' ' ' VAL . 3.5 pt20 -66.92 -42.18 85.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.921 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.2 ttm180 -58.54 -29.52 66.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.997 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.71 -37.92 82.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.143 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.73 HG13 ' CE2' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -75.62 -34.1 28.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.872 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.752 ' HB1' ' O ' ' A' ' 22' ' ' ILE . . . -62.85 -28.78 70.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.139 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.7 -30.78 21.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.009 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.937 ' HB1' HG21 ' A' ' 45' ' ' VAL . . . -66.96 -53.46 31.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.167 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.4 mt -79.98 -32.46 39.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.935 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 105.5 27.13 5.9 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.49 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.752 ' O ' ' HB1' ' A' ' 17' ' ' ALA . 32.7 pt -114.22 -179.2 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.771 0.32 . . . . 0.0 111.119 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 72.5 m -92.25 163.46 13.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -59.35 -30.9 68.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.26 -47.35 84.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.072 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.412 ' HB3' HD12 ' A' ' 22' ' ' ILE . . . -58.68 -36.9 74.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.104 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.425 HG13 ' CZ3' ' A' ' 30' ' ' TRP . 48.3 t -70.06 -43.44 79.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.99 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.2 p -70.91 -31.39 67.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.872 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.42 -17.45 63.01 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.528 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.437 ' CD1' ' HD3' ' A' ' 35' ' ' PRO . 24.4 m0 -52.35 150.28 4.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.083 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 27.7 mtpt -110.25 -163.52 0.86 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.648 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -49.5 -27.7 4.6 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.014 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.8 t -134.65 115.26 19.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.966 179.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.728 ' CD1' HD12 ' A' ' 42' ' ' LEU . 31.3 pt -56.18 160.68 4.56 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.077 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.437 ' HD3' ' CD1' ' A' ' 30' ' ' TRP . 76.5 Cg_exo -48.54 168.74 0.1 OUTLIER 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.425 2.083 . . . . 0.0 112.599 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -72.86 -44.89 60.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.274 -179.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.16 -13.87 58.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.648 -179.62 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -79.92 -48.87 12.73 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.774 0.321 . . . . 0.0 110.844 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.515 ' HB2' HG13 ' A' ' 34' ' ' ILE . . . -62.97 -28.07 69.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.939 179.71 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 91.3 t80 -62.84 -56.09 20.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.936 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 37.2 mtt85 -62.27 -31.05 71.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.02 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.728 HD12 ' CD1' ' A' ' 34' ' ' ILE . 12.5 mt -57.23 -48.27 79.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.131 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -52.54 -29.42 25.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.384 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.8 mt -86.65 -44.88 16.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.913 0.387 . . . . 0.0 111.118 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.937 HG21 ' HB1' ' A' ' 19' ' ' ALA . 0.3 OUTLIER -62.73 -38.8 82.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.222 -179.916 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.556 ' HB ' ' HB3' ' A' ' 49' ' ' ALA . 25.4 p -79.61 3.23 19.63 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.825 -179.635 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.455 ' HB3' ' O ' ' A' ' 46' ' ' THR . . . 69.76 29.38 4.13 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.8 0.334 . . . . 0.0 111.312 179.774 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.6 22.18 54.3 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.893 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.556 ' HB3' ' HB ' ' A' ' 46' ' ' THR . . . -66.05 -63.54 1.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.856 0.36 . . . . 0.0 110.988 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.6 mt -96.31 122.49 39.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.756 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.96 145.3 32.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.944 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -73.85 153.08 40.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.012 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.411 ' O ' ' CD2' ' A' ' 57' ' ' TYR . 63.4 mt-30 -142.76 92.88 2.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -57.34 -19.8 24.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.478 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 63.7 m-80 -46.48 -75.0 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.548 -0.297 . . . . 0.0 111.556 -179.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -55.63 -28.99 58.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.882 0.372 . . . . 0.0 111.596 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.411 ' CD2' ' O ' ' A' ' 53' ' ' GLN . 24.5 m-85 -80.22 -12.76 59.6 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.617 -179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? . . . . . 0 C--N 1.328 -0.343 0 CA-C-O 121.05 0.453 . . . . 0.0 111.101 179.803 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.434 ' CG ' HD11 ' A' ' 34' ' ' ILE . 2.0 ptt? . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.851 0.358 . . . . 0.0 111.144 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -88.15 159.22 18.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.97 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.811 ' NZ ' HD11 ' A' ' 7' ' ' ILE . 5.2 tttm -69.51 -30.48 68.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.919 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.2 tttm -62.57 -41.03 98.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.992 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -61.43 -47.7 84.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.049 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.588 HG13 HD22 ' A' ' 42' ' ' LEU . 2.7 t -57.23 -43.35 81.7 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.425 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.307 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.811 HD11 ' NZ ' ' A' ' 3' ' ' LYS . 60.6 mt -70.96 -35.18 58.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.131 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.37 -23.3 54.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.577 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.453 ' NE2' HG22 ' A' ' 46' ' ' THR . 6.2 t60 -84.07 -28.38 27.62 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.775 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.462 ' CE2' ' HA ' ' A' ' 16' ' ' VAL . 3.6 m-85 -93.21 -48.86 6.26 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.95 -179.686 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 108.58 -28.38 11.68 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.414 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.1 p -140.15 162.3 35.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.803 0.335 . . . . 0.0 110.949 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -77.75 -52.82 8.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.844 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -51.15 -30.57 16.99 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.054 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.07 -48.18 74.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.941 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.462 ' HA ' ' CE2' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -60.22 -33.87 55.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.854 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.854 ' HB1' ' O ' ' A' ' 22' ' ' ILE . . . -77.87 -27.26 49.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.181 -179.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.5 ttmt -80.95 -28.8 35.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.047 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.92 -51.69 30.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.191 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 14.9 mt -79.95 -34.05 39.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.052 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 109.72 24.57 5.77 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.601 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.854 ' O ' ' HB1' ' A' ' 17' ' ' ALA . 28.6 pt -112.32 -177.1 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.734 0.302 . . . . 0.0 111.086 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 57.6 p -95.1 158.81 15.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.791 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -58.07 -29.96 65.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.972 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.74 -44.23 96.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.174 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.36 -44.8 92.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.093 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.461 HG13 ' CZ3' ' A' ' 30' ' ' TRP . 58.8 t -61.63 -41.34 89.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.123 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.3 p -67.42 -29.02 68.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.844 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -70.34 -21.06 62.94 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.268 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.461 ' CZ3' HG13 ' A' ' 27' ' ' VAL . 32.8 m0 -52.35 137.85 28.17 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.149 0.499 . . . . 0.0 111.279 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.5 pttt -93.32 -166.92 1.61 Allowed 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.997 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -49.18 -28.13 4.2 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-O 120.86 0.362 . . . . 0.0 111.21 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.563 HG12 ' OH ' ' A' ' 57' ' ' TYR . 14.5 t -128.42 119.93 51.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.792 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.454 HG21 HG21 ' A' ' 6' ' ' VAL . 5.5 pt -60.22 156.12 41.61 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.35 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -53.33 -179.9 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.633 2.222 . . . . 0.0 112.289 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -81.45 -52.35 7.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.841 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 42.5 mtpt -67.06 -20.11 65.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.229 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -79.55 -49.07 12.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.926 0.393 . . . . 0.0 110.075 179.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.541 ' HA ' HD12 ' A' ' 42' ' ' LEU . . . -58.72 -29.01 66.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.886 179.429 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 45.4 t80 -78.4 -53.14 7.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.953 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 56.7 mtt-85 -66.06 -21.79 66.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.259 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.588 HD22 HG13 ' A' ' 6' ' ' VAL . 14.1 mt -67.28 -30.49 70.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.283 -179.6 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -62.62 -51.17 68.35 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.873 0.368 . . . . 0.0 110.631 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.649 ' H ' HD12 ' A' ' 44' ' ' ILE . 3.6 mp -60.4 -46.87 94.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.008 -0.542 . . . . 0.0 112.244 -179.625 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.453 HG22 ' HA ' ' A' ' 42' ' ' LEU . 14.6 m -59.11 -42.49 86.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.814 0.34 . . . . 0.0 111.534 -179.349 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.776 HG21 HD12 ' A' ' 50' ' ' LEU . 40.1 p -83.43 39.06 0.64 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.845 -179.379 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 49.26 27.22 1.79 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.705 0.288 . . . . 0.0 111.668 179.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 76.8 3.26 79.42 Favored Glycine 0 CA--C 1.519 0.322 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.95 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.35 -48.65 80.35 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.889 0.376 . . . . 0.0 111.133 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.776 HD12 HG21 ' A' ' 46' ' ' THR . 29.1 mt -79.94 113.48 18.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.687 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.93 125.02 29.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.018 -179.793 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.43 ' CZ ' ' HG2' ' A' ' 54' ' ' GLU . 10.9 t80 -81.82 127.89 33.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.72 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -121.49 127.46 51.07 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.585 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.43 ' HG2' ' CZ ' ' A' ' 52' ' ' TYR . 33.2 mt-10 -88.29 24.04 2.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.611 -179.67 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.8 p-10 -60.68 -52.83 63.47 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 120.928 0.394 . . . . 0.0 110.225 179.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -96.26 14.72 23.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.455 179.013 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.563 ' OH ' HG12 ' A' ' 33' ' ' VAL . 11.4 m-85 -132.21 27.42 4.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.719 -179.634 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 . . . . . 0 C--O 1.236 0.345 0 CA-C-O 121.002 0.429 . . . . 0.0 110.737 -179.547 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.48 ' HB3' HD11 ' A' ' 34' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.314 0 CA-C-O 120.818 0.342 . . . . 0.0 111.236 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.428 ' O ' HG23 ' A' ' 6' ' ' VAL . 3.3 m-85 -96.31 146.58 24.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.76 ' HE2' HD11 ' A' ' 7' ' ' ILE . 9.4 tttt -57.99 -29.45 65.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.048 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.4 ttpm? -61.92 -47.24 85.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.023 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -60.68 -51.38 69.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.91 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 2' ' ' TYR . 3.2 t -53.46 -51.67 39.58 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.354 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.76 HD11 ' HE2' ' A' ' 3' ' ' LYS . 54.1 mt -59.24 -26.96 35.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.184 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.77 -28.38 55.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.912 0.387 . . . . 0.0 110.362 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.47 ' CE1' ' HB ' ' A' ' 46' ' ' THR . 24.1 t60 -86.05 -31.46 21.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.678 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.688 ' CE2' HG13 ' A' ' 16' ' ' VAL . 42.7 m-85 -92.69 -29.45 16.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.094 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 90.56 -49.35 3.15 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.262 -179.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -132.86 140.06 47.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.842 0.353 . . . . 0.0 110.63 179.742 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -49.01 -51.89 28.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.268 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.42 -36.55 10.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.342 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.02 -51.02 71.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.923 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.688 HG13 ' CE2' ' A' ' 10' ' ' PHE . 0.6 OUTLIER -54.58 -31.68 23.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.156 179.868 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.765 ' HB1' ' O ' ' A' ' 22' ' ' ILE . . . -64.94 -26.08 68.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.359 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.0 mttm -76.12 -52.25 10.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.935 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.682 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . -59.28 -39.01 81.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.05 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.99 -30.8 19.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.012 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 86.86 28.47 26.09 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.557 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.765 ' O ' ' HB1' ' A' ' 17' ' ' ALA . 24.9 pt -111.55 -179.17 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.839 0.352 . . . . 0.0 111.066 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 28.9 t -87.06 160.56 18.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -61.52 -31.61 71.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.33 -44.12 84.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.188 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.68 -30.24 65.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.216 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.469 HG13 ' CZ3' ' A' ' 30' ' ' TRP . 27.4 t -75.48 -56.71 7.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.193 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.98 -26.62 62.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.025 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -75.19 -17.03 60.45 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-O 121.031 0.443 . . . . 0.0 111.684 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.469 ' CZ3' HG13 ' A' ' 27' ' ' VAL . 32.4 m0 -53.56 129.68 33.44 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.911 0.386 . . . . 0.0 111.065 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.8 pttt -80.12 -168.34 1.62 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.628 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -47.94 -30.73 4.48 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.093 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.488 HG11 ' HB1' ' A' ' 56' ' ' ALA . 27.6 t -128.34 116.84 43.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.043 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.587 ' CD1' ' HB2' ' A' ' 39' ' ' ALA . 10.7 pt -51.97 161.1 1.0 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.36 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.419 ' HD3' ' CD1' ' A' ' 30' ' ' TRP . 52.1 Cg_exo -53.14 164.1 1.93 Allowed 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.623 2.215 . . . . 0.0 112.538 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.457 ' HG2' ' OH ' ' A' ' 52' ' ' TYR . 1.1 tm-20 -72.68 -35.84 67.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.096 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.2 mmtp -87.75 -19.33 27.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.53 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -79.86 -43.93 21.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.825 0.345 . . . . 0.0 110.668 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.587 ' HB2' ' CD1' ' A' ' 34' ' ' ILE . . . -64.97 -26.65 68.39 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.937 179.706 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -72.0 -37.19 69.86 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.973 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.4 ' O ' HG22 ' A' ' 45' ' ' VAL . 27.3 mtp180 -78.0 -29.0 49.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.031 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.598 ' O ' HG23 ' A' ' 46' ' ' THR . 53.8 mt -66.2 -32.6 74.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.173 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -66.96 -22.63 65.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.314 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.8 mt -88.56 -51.98 11.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.825 0.345 . . . . 0.0 111.319 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.682 HG11 ' HB1' ' A' ' 19' ' ' ALA . 6.4 m -59.91 -39.5 80.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.458 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.598 HG23 ' O ' ' A' ' 42' ' ' LEU . 30.7 p -79.75 12.78 2.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.011 -0.54 . . . . 0.0 112.121 -179.375 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 61.32 30.71 19.22 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.819 0.342 . . . . 0.0 111.122 179.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 72.76 22.28 79.15 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.696 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.34 -32.41 70.06 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.89 0.376 . . . . 0.0 110.819 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.5 mt -116.95 126.42 52.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.588 179.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 7.8 tttt -79.92 113.11 17.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.038 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.502 ' CZ ' ' CD2' ' A' ' 57' ' ' TYR . 14.4 t80 -61.15 118.57 6.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -106.25 112.53 25.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.973 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -62.04 -17.89 58.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.353 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 18.6 m-20 -48.92 -38.32 22.48 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 120.815 0.341 . . . . 0.0 111.131 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.488 ' HB1' HG11 ' A' ' 33' ' ' VAL . . . -98.23 17.64 18.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.3 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.502 ' CD2' ' CZ ' ' A' ' 52' ' ' TYR . 28.3 m-85 -146.45 29.59 1.04 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.05 0.453 . . . . 0.0 110.913 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.935 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.658 ' HG2' HD13 ' A' ' 50' ' ' LEU . 1.4 mtm . . . . . 0 N--CA 1.485 1.3 0 CA-C-O 120.851 0.358 . . . . 0.0 111.151 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.559 ' O ' HG23 ' A' ' 6' ' ' VAL . 3.3 m-85 -93.46 143.7 26.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 18.5 tttt -58.22 -44.22 88.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.955 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.96 -35.74 35.11 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.222 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 -75.18 -53.37 8.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.817 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.559 HG23 ' O ' ' A' ' 2' ' ' TYR . 3.6 t -53.74 -49.61 56.42 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.171 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.434 HD12 ' OE1' ' A' ' 13' ' ' GLN . 40.0 mm -59.12 -33.08 49.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.083 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.2 -24.98 54.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.664 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.413 ' CE1' ' HB ' ' A' ' 46' ' ' THR . 11.2 t60 -82.65 -31.53 28.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.331 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.54 ' CE2' HG13 ' A' ' 16' ' ' VAL . 37.9 m-85 -94.36 -30.29 14.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.254 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 92.03 -48.72 2.73 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.715 -0.755 . . . . 0.0 111.998 -179.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.4 p -124.09 -179.36 4.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.821 0.343 . . . . 0.0 110.44 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.434 ' OE1' HD12 ' A' ' 7' ' ' ILE . 3.9 mm100 -86.9 -55.66 3.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.929 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -48.63 -29.78 4.71 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.217 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.76 -52.01 62.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.995 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.54 HG13 ' CE2' ' A' ' 10' ' ' PHE . 1.3 t -54.81 -45.59 74.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.089 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.88 ' HB1' ' O ' ' A' ' 22' ' ' ILE . . . -66.66 -30.95 71.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.077 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.18 -30.36 69.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.943 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.436 ' O ' HG11 ' A' ' 45' ' ' VAL . . . -89.72 -38.63 13.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.154 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.01 -27.91 39.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.989 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 99.35 -11.33 61.65 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.742 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.88 ' O ' ' HB1' ' A' ' 17' ' ' ALA . 41.5 pt -79.87 -179.23 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.796 0.331 . . . . 0.0 111.249 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.6 m -95.53 164.36 12.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.978 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -60.19 -31.1 69.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.963 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.39 -47.66 84.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.128 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.79 -39.48 85.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.06 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.472 HG22 HD11 ' A' ' 22' ' ' ILE . 45.1 t -70.13 -44.54 78.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.162 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 35.4 t -67.85 -30.64 70.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.946 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -75.18 -12.14 60.23 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.551 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.729 ' CD2' HG22 ' A' ' 34' ' ' ILE . 29.5 m0 -55.17 170.98 0.17 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.87 0.367 . . . . 0.0 110.983 -179.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.7 mmmp? -134.22 -163.8 1.42 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.384 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -47.99 -28.91 3.02 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.091 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 26.6 t -134.96 112.46 14.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.106 179.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.729 HG22 ' CD2' ' A' ' 30' ' ' TRP . 8.6 pt -56.3 152.81 21.72 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.108 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.457 ' HG2' ' HB2' ' A' ' 38' ' ' ASP . 3.4 Cg_endo -49.27 179.56 0.02 OUTLIER 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.527 2.151 . . . . 0.0 112.049 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -76.57 -65.74 0.9 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.26 -0.427 . . . . 0.0 112.03 -179.154 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.7 pttm -54.31 -24.38 18.93 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 -178.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.457 ' HB2' ' HG2' ' A' ' 35' ' ' PRO . 55.8 m-20 -79.67 -49.66 11.79 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.934 0.397 . . . . 0.0 110.197 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.429 ' HA ' HD12 ' A' ' 34' ' ' ILE . . . -59.75 -26.32 65.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.813 179.307 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 91.6 t80 -73.72 -57.07 4.24 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.864 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.6 mtp85 -64.01 -29.69 70.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.079 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.54 HD12 ' CD1' ' A' ' 34' ' ' ILE . 6.1 mt -57.95 -38.1 75.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.087 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -63.33 -17.29 62.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.318 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.8 mt -91.1 -49.86 13.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.774 0.321 . . . . 0.0 111.481 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.436 HG11 ' O ' ' A' ' 19' ' ' ALA . 2.4 m -61.03 -37.62 77.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.287 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.418 ' HB ' ' HB3' ' A' ' 49' ' ' ALA . 77.2 p -79.93 4.42 16.86 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.699 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.413 ' HB3' ' O ' ' A' ' 46' ' ' THR . . . 67.3 32.02 6.19 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 120.844 0.354 . . . . 0.0 110.854 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 78.63 24.93 61.64 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.511 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.418 ' HB3' ' HB ' ' A' ' 46' ' ' THR . . . -60.1 -54.71 42.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.86 0.362 . . . . 0.0 110.998 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.658 HD13 ' HG2' ' A' ' 1' ' ' MET . 5.6 mt -90.65 163.11 14.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.792 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.8 ttmt -116.78 110.88 18.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.954 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.531 ' CZ ' ' CD2' ' A' ' 57' ' ' TYR . 20.9 t80 -61.17 137.05 58.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.963 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -128.38 109.78 11.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.04 -33.17 50.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.238 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.26 -22.87 32.64 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.863 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.409 ' O ' ' CD1' ' A' ' 57' ' ' TYR . . . -102.29 16.4 26.3 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.68 0.276 . . . . 0.0 111.518 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.531 ' CD2' ' CZ ' ' A' ' 52' ' ' TYR . 29.4 m-85 -153.07 28.74 0.51 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.945 0.402 . . . . 0.0 110.863 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.1 tpt180 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.122 179.592 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.319 0 CA-C-O 120.797 0.332 . . . . 0.0 111.246 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -88.93 145.5 25.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.834 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.33 -32.63 68.7 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.022 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.9 tptm -64.6 -30.47 71.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.926 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -73.35 -47.81 39.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.94 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.562 HG21 HG21 ' A' ' 34' ' ' ILE . 2.9 t -56.79 -46.55 83.38 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.424 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.084 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 81.9 mt -63.7 -37.35 79.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.118 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.64 -23.66 56.33 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.373 179.583 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.47 ' NE2' HG22 ' A' ' 46' ' ' THR . 5.6 t60 -82.75 -27.48 31.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.575 179.702 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.454 ' CE2' ' HA ' ' A' ' 16' ' ' VAL . 3.2 m-85 -96.04 -47.65 6.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.974 -179.732 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 115.34 -30.41 6.75 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.441 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 72.9 p -143.21 179.78 6.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.865 0.364 . . . . 0.0 110.816 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 -89.98 -53.03 4.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.006 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 38.2 ttt180 -51.66 -30.33 21.33 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.233 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.16 -47.82 78.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.946 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.454 ' HA ' ' CE2' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -61.45 -36.87 75.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.967 -179.935 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.853 ' HB1' ' O ' ' A' ' 22' ' ' ILE . . . -69.43 -32.11 70.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.11 -29.1 54.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.966 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 1.004 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . -68.94 -52.81 25.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.289 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.549 HD13 ' OD1' ' A' ' 38' ' ' ASP . 2.9 mt -79.89 -33.12 40.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.036 -179.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 107.89 26.64 5.46 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.513 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.853 ' O ' ' HB1' ' A' ' 17' ' ' ALA . 41.1 pt -113.54 -178.62 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.793 0.33 . . . . 0.0 111.083 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.3 m -93.97 164.13 13.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.856 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 19.6 p-10 -59.46 -31.68 69.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.49 -40.63 97.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.089 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.558 ' HB3' HD12 ' A' ' 22' ' ' ILE . . . -61.89 -37.37 84.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.019 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.474 HG13 ' CZ3' ' A' ' 30' ' ' TRP . 33.8 t -67.04 -51.88 49.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.135 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.8 t -66.23 -32.16 73.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.955 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -65.09 -22.71 66.99 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.305 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.474 ' CZ3' HG13 ' A' ' 27' ' ' VAL . 47.6 m0 -54.35 163.09 0.92 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.173 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.54 -163.5 0.86 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.951 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -49.86 -33.8 18.08 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.826 0.346 . . . . 0.0 110.989 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 24.5 t -123.06 122.32 65.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.786 0.327 . . . . 0.0 110.97 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.603 HD12 ' HA ' ' A' ' 39' ' ' ALA . 12.6 pt -54.98 151.49 16.0 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.278 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -50.62 156.88 3.92 Favored 'Trans proline' 0 C--N 1.343 0.266 0 C-N-CA 122.727 2.285 . . . . 0.0 112.37 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -65.86 -28.92 69.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.277 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 47.6 mttt -89.99 -24.87 21.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.592 -179.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.549 ' OD1' HD13 ' A' ' 20' ' ' LEU . 4.3 m-20 -79.77 -37.2 35.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.847 0.355 . . . . 0.0 110.735 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.603 ' HA ' HD12 ' A' ' 34' ' ' ILE . . . -68.28 -25.53 65.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.517 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -70.41 -56.71 5.98 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.934 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.72 -28.95 67.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.112 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.603 HD12 ' HA ' ' A' ' 39' ' ' ALA . 12.8 mt -56.06 -39.86 72.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.081 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -58.85 -20.36 50.11 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.412 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.8 mt -88.93 -50.79 13.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.86 0.362 . . . . 0.0 111.439 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 1.004 HG11 ' HB1' ' A' ' 19' ' ' ALA . 2.7 m -63.3 -37.53 79.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.628 -179.605 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.47 HG22 ' NE2' ' A' ' 9' ' ' HIS . 76.8 p -81.53 11.58 4.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.984 -179.448 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 62.9 28.53 16.39 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.832 0.348 . . . . 0.0 111.27 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 77.32 20.75 74.48 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.811 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.15 -43.93 66.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.901 0.381 . . . . 0.0 110.904 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.431 HD12 HG21 ' A' ' 46' ' ' THR . 58.5 mt -91.87 113.36 25.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.704 179.652 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.96 125.64 30.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.982 -179.784 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.427 ' CE1' ' CD2' ' A' ' 57' ' ' TYR . 9.6 t80 -78.13 136.02 37.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.803 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.6 mp0 -127.7 102.63 6.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.887 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -55.21 -25.9 35.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.11 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -57.43 -29.14 63.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.857 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -100.17 16.72 23.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.427 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.427 ' CD2' ' CE1' ' A' ' 52' ' ' TYR . 71.4 m-85 -142.07 23.11 2.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.811 -179.626 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.226 0 CA-C-O 120.873 0.368 . . . . 0.0 110.645 -179.577 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.4 ttm . . . . . 0 N--CA 1.488 1.425 0 CA-C-O 120.893 0.378 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.641 ' O ' HG23 ' A' ' 6' ' ' VAL . 2.4 m-85 -82.47 154.47 25.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.919 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.677 ' HE2' HD11 ' A' ' 7' ' ' ILE . 10.1 tttt -71.16 -30.82 66.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.953 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.3 ttpm? -64.48 -36.87 85.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.13 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.42 -50.08 49.19 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.096 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.641 HG23 ' O ' ' A' ' 2' ' ' TYR . 2.9 t -56.05 -49.47 75.45 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.346 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.677 HD11 ' HE2' ' A' ' 3' ' ' LYS . 52.1 mt -61.93 -29.13 45.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.13 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.41 -25.24 54.3 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.879 0.371 . . . . 0.0 110.557 179.796 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.555 ' NE2' HG22 ' A' ' 46' ' ' THR . 16.3 t60 -84.86 -33.78 22.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.521 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.549 ' CE2' HG13 ' A' ' 16' ' ' VAL . 28.5 m-85 -88.9 -41.83 12.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.192 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.68 -29.03 10.35 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.265 -179.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -146.93 136.47 22.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.73 0.3 . . . . 0.0 110.595 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -51.06 -49.78 59.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.239 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -45.95 -42.32 12.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.449 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.84 -49.38 77.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.082 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.549 HG13 ' CE2' ' A' ' 10' ' ' PHE . 0.8 OUTLIER -58.45 -49.32 82.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.109 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.531 ' HB1' ' O ' ' A' ' 22' ' ' ILE . . . -60.13 -31.01 69.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.043 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.4 mmtt -74.82 -34.89 62.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.65 -41.74 65.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.108 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.7 HD21 ' HG ' ' A' ' 42' ' ' LEU . 53.9 mt -82.8 -31.07 28.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.035 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 106.71 -7.75 39.24 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.785 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.531 ' O ' ' HB1' ' A' ' 17' ' ' ALA . 43.5 pt -79.99 -178.89 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.737 0.303 . . . . 0.0 111.094 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.4 m -85.43 153.83 22.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.842 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -60.34 -31.34 70.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.902 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.85 -40.0 91.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.952 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.13 -31.76 69.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.945 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.442 ' CG2' ' HB2' ' A' ' 17' ' ' ALA . 48.5 t -69.1 -42.74 81.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.986 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.87 -28.99 64.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.881 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -74.4 -14.71 60.9 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.293 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.46 ' CD2' HG22 ' A' ' 34' ' ' ILE . 16.7 m0 -52.7 169.27 0.09 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.771 0.319 . . . . 0.0 111.151 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.71 -164.27 1.35 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.826 -179.772 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -49.48 -28.31 5.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.647 0.26 . . . . 0.0 111.173 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 23.5 t -135.27 119.01 24.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.981 179.565 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.824 HD12 HD12 ' A' ' 42' ' ' LEU . 29.9 pt -61.89 158.78 40.86 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.251 -179.76 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -50.96 157.67 3.7 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.553 2.169 . . . . 0.0 112.613 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.424 ' HG2' ' HB3' ' A' ' 57' ' ' TYR . 0.5 OUTLIER -59.72 -49.7 76.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.373 -179.808 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.23 -15.66 60.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.684 -179.45 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -79.77 -48.23 13.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.908 0.385 . . . . 0.0 110.877 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.578 ' HB2' HG13 ' A' ' 34' ' ' ILE . . . -64.44 -24.27 67.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.031 179.754 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -66.48 -70.29 0.25 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.001 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.2 mtp85 -58.44 -28.31 65.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.15 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.824 HD12 HD12 ' A' ' 34' ' ' ILE . 7.6 mt -58.96 -34.76 72.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.119 -179.774 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -71.18 -29.53 65.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.993 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.9 mt -78.87 -45.53 24.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.246 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.495 HG23 HG23 ' A' ' 46' ' ' THR . 12.4 m -57.48 -41.1 78.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.334 -179.821 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.555 HG22 ' NE2' ' A' ' 9' ' ' HIS . 60.7 p -83.16 32.6 0.44 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.996 -0.547 . . . . 0.0 112.09 -179.411 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 46.97 38.04 5.74 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.736 0.303 . . . . 0.0 111.566 179.58 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 66.56 23.07 71.95 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.539 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.42 -33.61 72.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.932 0.396 . . . . 0.0 110.942 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -106.27 -176.6 3.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.709 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.94 118.72 14.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.93 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 30.0 t80 -60.83 145.58 49.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.833 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.41 ' O ' ' CD2' ' A' ' 57' ' ' TYR . 51.2 mt-30 -131.66 88.86 2.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.008 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 22.1 pt-20 -58.79 -20.22 47.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.224 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -52.06 -48.9 64.39 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.399 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -86.2 5.73 32.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.631 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.424 ' HB3' ' HG2' ' A' ' 36' ' ' GLU . 44.5 m-85 -115.89 -17.06 11.08 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.707 0.289 . . . . 0.0 111.361 -179.778 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.1 ptt180 . . . . . 0 C--N 1.331 -0.204 0 CA-C-O 120.825 0.345 . . . . 0.0 110.82 -179.905 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.53 ' HB3' HD11 ' A' ' 34' ' ' ILE . 2.5 mtm . . . . . 0 N--CA 1.487 1.407 0 CA-C-O 120.79 0.328 . . . . 0.0 111.095 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -88.89 146.47 24.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.945 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 47.2 tttt -57.93 -44.25 86.78 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.059 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.3 ttmm -51.5 -41.63 61.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.264 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -61.91 -52.78 62.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.01 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.8 t -56.97 -39.23 64.31 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.267 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.484 HD13 HG21 ' A' ' 16' ' ' VAL . 41.0 mm -71.55 -36.33 59.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.134 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.99 -24.88 55.36 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.404 179.806 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.802 ' NE2' HG22 ' A' ' 46' ' ' THR . 5.9 t60 -82.85 -27.39 30.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.7 179.743 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.45 ' CE2' ' HA ' ' A' ' 16' ' ' VAL . 2.8 m-85 -95.67 -42.73 8.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.028 -179.66 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 109.08 -30.11 8.99 Favored Glycine 0 N--CA 1.453 -0.205 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.464 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 18.9 p -142.19 171.58 13.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.762 0.315 . . . . 0.0 110.916 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -84.38 -51.74 6.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.834 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -53.27 -29.21 31.79 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.08 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.73 -46.53 81.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.046 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.484 HG21 HD13 ' A' ' 7' ' ' ILE . 0.4 OUTLIER -59.07 -31.96 46.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.958 -179.939 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.861 ' HB1' ' O ' ' A' ' 22' ' ' ILE . . . -73.3 -26.86 61.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.197 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.6 ttmt -74.5 -38.12 62.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.033 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.926 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . -65.28 -49.74 68.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.162 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.416 HD13 ' OD1' ' A' ' 38' ' ' ASP . 10.5 mt -79.97 -27.22 39.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.068 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 95.28 26.11 12.87 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.469 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.861 ' O ' ' HB1' ' A' ' 17' ' ' ALA . 26.7 pt -110.87 -177.88 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.739 0.304 . . . . 0.0 111.015 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.2 m -94.34 163.69 13.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.782 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -59.27 -31.16 68.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.927 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.01 -46.29 88.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.099 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.483 ' HB3' HD12 ' A' ' 22' ' ' ILE . . . -59.11 -35.98 74.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.157 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.4 HG13 ' CZ3' ' A' ' 30' ' ' TRP . 44.8 t -72.76 -45.13 57.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.032 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 40.5 t -68.01 -29.6 68.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.986 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -76.02 -17.67 59.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.004 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.404 ' CD1' ' O ' ' A' ' 26' ' ' ALA . 32.5 m0 -52.79 150.29 5.45 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.909 0.385 . . . . 0.0 111.149 -179.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.39 -169.81 1.65 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.315 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -47.65 -29.1 2.73 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.017 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 32.5 t -128.44 116.34 41.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.805 179.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.53 HD11 ' HB3' ' A' ' 1' ' ' MET . 11.0 pt -53.85 160.99 1.86 Allowed Pre-proline 0 C--N 1.331 -0.223 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.391 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -53.89 165.76 1.76 Allowed 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.655 2.237 . . . . 0.0 112.489 -179.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -71.43 -33.0 69.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.37 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.9 mttm -90.02 -20.21 23.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.796 -179.402 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.416 ' OD1' HD13 ' A' ' 20' ' ' LEU . 5.8 m-20 -79.73 -40.87 27.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.837 0.351 . . . . 0.0 110.636 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.525 ' HA ' HD12 ' A' ' 34' ' ' ILE . . . -64.32 -25.72 68.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.974 179.666 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -67.37 -70.42 0.25 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.038 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 19.0 mtp180 -54.92 -27.44 43.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.261 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.497 HD12 HD12 ' A' ' 34' ' ' ILE . 7.8 mt -59.56 -34.42 72.67 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.965 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -68.84 -21.93 64.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.297 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.7 mt -85.98 -49.64 15.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.309 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.926 HG11 ' HB1' ' A' ' 19' ' ' ALA . 2.4 m -57.55 -36.81 55.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.427 -179.82 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.802 HG22 ' NE2' ' A' ' 9' ' ' HIS . 17.5 p -81.95 9.53 8.1 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.814 -179.547 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 65.28 32.84 9.61 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.803 0.335 . . . . 0.0 111.119 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 76.97 27.66 60.01 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.612 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.604 ' HB3' ' HB ' ' A' ' 46' ' ' THR . . . -74.76 -50.47 17.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.833 0.349 . . . . 0.0 110.994 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.9 mt -93.2 115.64 28.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.806 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.0 124.7 28.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.981 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.505 ' CE1' ' CD2' ' A' ' 57' ' ' TYR . 16.9 t80 -66.25 149.92 49.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.786 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.434 ' O ' ' CD2' ' A' ' 57' ' ' TYR . 45.6 mt-30 -144.78 108.88 4.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.884 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.16 -15.31 45.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.608 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -45.68 -52.61 10.58 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.706 0.289 . . . . 0.0 111.551 -179.695 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -78.28 -24.28 46.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.984 0.421 . . . . 0.0 111.421 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.505 ' CD2' ' CE1' ' A' ' 52' ' ' TYR . 2.3 m-85 -105.34 38.36 1.98 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.819 -179.612 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.522 -0.103 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.118 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.65 ' SD ' HD13 ' A' ' 50' ' ' LEU . 2.7 ptp . . . . . 0 N--CA 1.487 1.407 0 CA-C-O 120.865 0.364 . . . . 0.0 111.204 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -83.66 136.61 34.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.934 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.3 tttp -57.66 -28.25 63.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.116 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.5 tptm -60.63 -49.83 75.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.064 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.665 ' OD2' HD21 ' A' ' 50' ' ' LEU . 0.6 OUTLIER -58.86 -47.1 86.1 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.0 -179.858 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.0 t -55.52 -55.14 18.76 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.438 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.293 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 63.9 mt -59.15 -31.84 46.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.061 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.9 -24.51 52.52 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.492 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 31.7 t60 -84.46 -32.03 24.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.592 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.559 ' CE2' HG13 ' A' ' 16' ' ' VAL . 36.5 m-85 -92.54 -35.76 13.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.031 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 92.57 -46.33 2.55 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.202 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 60.1 p -130.0 147.6 51.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.778 0.323 . . . . 0.0 110.725 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -58.21 -55.39 35.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.96 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.5 tpt180 -45.52 -32.41 2.23 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.285 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.27 -54.63 37.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.833 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.559 HG13 ' CE2' ' A' ' 10' ' ' PHE . 1.1 t -57.46 -39.95 71.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.111 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.698 ' HB1' ' O ' ' A' ' 22' ' ' ILE . . . -68.43 -30.89 69.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.174 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.7 tttp -79.5 -37.11 37.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.988 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.51 -41.79 60.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.189 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.403 HD22 ' HB2' ' A' ' 41' ' ' ARG . 55.8 mt -80.05 -33.81 38.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.993 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 100.67 27.24 7.64 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.499 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.698 ' O ' ' HB1' ' A' ' 17' ' ' ALA . 36.2 pt -116.93 -179.25 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.841 0.353 . . . . 0.0 111.072 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 29.4 t -89.57 160.67 16.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.914 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -60.37 -31.7 70.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.851 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.76 -42.73 90.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.111 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.405 ' O ' ' CD1' ' A' ' 30' ' ' TRP . . . -59.43 -31.0 68.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.08 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 41.9 t -75.6 -46.88 35.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.152 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.86 -37.94 85.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.957 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -60.27 -20.04 57.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.106 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.419 ' CE3' HG22 ' A' ' 34' ' ' ILE . 42.6 m0 -53.05 157.54 1.74 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.867 0.365 . . . . 0.0 111.378 -179.783 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.2 pttt -119.32 -163.25 0.96 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.814 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -46.7 -36.65 7.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.694 0.283 . . . . 0.0 111.175 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 24.2 t -122.91 117.33 51.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.841 0.353 . . . . 0.0 110.929 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.526 HD12 ' HA ' ' A' ' 39' ' ' ALA . 8.6 pt -55.42 159.22 4.78 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.3 -179.79 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -53.1 157.7 7.99 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.661 2.241 . . . . 0.0 112.4 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.439 ' HG3' ' CD1' ' A' ' 57' ' ' TYR . 6.1 tt0 -68.23 -32.84 73.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.463 -179.649 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.4 pttt -89.95 -22.78 21.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.778 -179.315 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 -79.89 -40.49 28.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.852 0.358 . . . . 0.0 110.602 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.577 ' HA ' HD12 ' A' ' 42' ' ' LEU . . . -64.93 -27.88 69.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.833 179.604 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -67.73 -57.39 6.43 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.918 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.403 ' HB2' HD22 ' A' ' 20' ' ' LEU . 0.8 OUTLIER -62.36 -29.55 70.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.994 -179.838 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.577 HD12 ' HA ' ' A' ' 39' ' ' ALA . 18.3 mt -57.19 -51.03 70.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.087 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.84 -47.17 64.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.175 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.8 mt -71.11 -44.68 74.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.329 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.72 -37.38 75.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.42 -179.758 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 31.4 p -88.26 37.78 0.83 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.757 -179.459 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 46.89 28.83 0.9 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.732 0.301 . . . . 0.0 111.694 179.581 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 70.41 31.59 68.43 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.517 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.79 -45.3 71.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.798 0.332 . . . . 0.0 111.116 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.665 HD21 ' OD2' ' A' ' 5' ' ' ASP . 2.0 mt -94.36 176.44 6.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.792 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.3 ptmt -126.33 125.75 42.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.958 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.467 ' CE1' ' CD2' ' A' ' 57' ' ' TYR . 7.3 t80 -83.98 115.45 22.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.97 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -108.75 138.32 45.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.62 179.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -90.1 44.69 1.22 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.905 0.383 . . . . 0.0 111.244 -179.692 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 69.5 m-20 -90.28 -74.79 0.48 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.564 179.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.93 -13.96 62.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.171 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.467 ' CD2' ' CE1' ' A' ' 52' ' ' TYR . 21.9 m-85 -89.17 12.33 16.15 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.345 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.33 0 CA-C-O 121.085 0.469 . . . . 0.0 111.042 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.824 0.345 . . . . 0.0 111.185 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -88.96 144.96 25.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.004 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.508 ' HG2' HD13 ' A' ' 7' ' ' ILE . 6.1 tttm -61.69 -42.76 99.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.044 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 17.3 tttm -53.53 -25.58 17.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.325 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -76.16 -47.71 23.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.096 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.407 HG23 ' H ' ' A' ' 6' ' ' VAL . 2.9 t -54.94 -56.74 9.33 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.398 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.371 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.508 HD13 ' HG2' ' A' ' 3' ' ' LYS . 3.0 mp -59.92 -24.93 31.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.963 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.5 -28.25 56.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.012 0.434 . . . . 0.0 110.147 179.551 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.52 ' CD2' HG22 ' A' ' 46' ' ' THR . 3.3 t60 -90.08 -29.47 18.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.453 179.674 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.446 ' CE2' ' HA ' ' A' ' 16' ' ' VAL . 2.5 m-85 -91.84 -46.3 7.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.1 -179.528 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 106.86 -40.4 2.52 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.505 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 13.2 p -126.5 175.55 7.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.821 0.344 . . . . 0.0 110.96 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -88.05 -50.6 6.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.88 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.8 ttt180 -54.42 -30.36 52.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.946 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.02 -45.78 92.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.844 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.512 ' O ' HD12 ' A' ' 20' ' ' LEU . 0.5 OUTLIER -60.49 -39.46 81.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.778 ' HB1' ' O ' ' A' ' 22' ' ' ILE . . . -65.2 -28.5 69.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.096 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.0 mmtt -90.11 16.46 8.4 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.455 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.823 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . -111.47 -42.21 3.93 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.875 0.369 . . . . 0.0 111.094 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.824 HD23 ' HB2' ' A' ' 41' ' ' ARG . 0.9 OUTLIER -97.75 -30.13 12.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.939 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 113.0 28.11 3.49 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.462 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.778 ' O ' ' HB1' ' A' ' 17' ' ' ALA . 32.8 pt -114.53 -178.92 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.794 0.331 . . . . 0.0 111.163 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.1 p -97.33 165.15 12.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.992 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -59.91 -30.94 69.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.944 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.02 -46.36 91.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.105 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.21 -37.17 76.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.146 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 61.7 t -70.76 -38.86 74.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.026 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 18.7 m -69.19 -28.9 66.8 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.967 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -78.67 -17.06 56.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.388 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.585 ' CD2' HG22 ' A' ' 34' ' ' ILE . 26.4 m0 -52.91 125.11 15.99 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.833 0.349 . . . . 0.0 111.119 -179.799 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.6 pttm -87.99 -163.92 1.03 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.929 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -49.37 -27.76 4.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.684 0.278 . . . . 0.0 111.168 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.6 t -131.36 120.37 45.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.109 0.48 . . . . 0.0 111.132 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.634 HG13 ' HB2' ' A' ' 39' ' ' ALA . 20.3 pt -70.78 159.8 84.1 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.187 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -49.24 158.34 1.56 Allowed 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.701 2.268 . . . . 0.0 112.633 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -68.76 -28.95 67.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.138 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.83 -22.56 22.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.506 -179.585 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.464 ' HA ' HD22 ' A' ' 20' ' ' LEU . 23.1 m-20 -79.79 -44.59 20.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.825 0.345 . . . . 0.0 110.559 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.634 ' HB2' HG13 ' A' ' 34' ' ' ILE . . . -65.55 -24.61 67.14 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.833 179.552 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -66.8 -58.73 4.47 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.918 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.824 ' HB2' HD23 ' A' ' 20' ' ' LEU . 17.9 mtm180 -57.61 -37.42 73.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.948 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.591 HD12 ' CD1' ' A' ' 34' ' ' ILE . 19.5 mt -53.85 -52.19 61.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.062 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 50.9 tt0 -50.03 -30.13 10.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.183 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.0 mt -88.94 -44.43 15.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.95 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.823 HG11 ' HB1' ' A' ' 19' ' ' ALA . 22.9 t -65.22 -21.16 28.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.604 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.52 HG22 ' CD2' ' A' ' 9' ' ' HIS . 14.7 p -92.36 23.8 3.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.278 -179.679 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 56.45 31.04 18.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.843 0.354 . . . . 0.0 111.082 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 71.05 25.76 75.12 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.528 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -73.12 -54.2 9.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.816 0.341 . . . . 0.0 110.998 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 62.7 mt -80.08 165.39 22.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.821 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.2 tptt -123.32 120.19 32.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.943 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.508 ' CE1' ' CD2' ' A' ' 57' ' ' TYR . 5.3 t80 -78.7 121.97 25.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.021 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -112.48 128.56 56.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.712 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -90.12 37.42 0.89 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.324 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -90.18 -32.17 16.73 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 120.897 0.379 . . . . 0.0 110.579 179.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -102.4 -23.84 13.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.177 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.508 ' CD2' ' CE1' ' A' ' 52' ' ' TYR . 11.3 m-85 -94.06 18.88 9.91 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.227 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.237 0 CA-C-O 120.771 0.319 . . . . 0.0 111.002 179.559 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.743 ' HG3' ' HB1' ' A' ' 39' ' ' ALA . 4.1 mmt . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.789 0.328 . . . . 0.0 111.202 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -73.5 125.59 28.29 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.734 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.521 ' HE3' HD11 ' A' ' 7' ' ' ILE . 19.8 ttpt -52.95 -28.19 22.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.099 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.0 tttp -57.32 -44.77 84.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.869 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -70.07 -45.18 67.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.721 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.614 HG12 ' CD2' ' A' ' 10' ' ' PHE . 2.8 t -57.15 -52.88 50.68 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.473 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.02 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.521 HD11 ' HE3' ' A' ' 3' ' ' LYS . 64.7 mt -55.98 -29.39 26.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.083 179.789 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.92 -29.41 50.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.31 179.705 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -84.08 -31.6 25.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.369 179.598 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.733 ' CD2' HG13 ' A' ' 16' ' ' VAL . 37.9 m-85 -90.64 -28.96 18.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.985 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 92.98 -45.28 2.48 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.415 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -145.46 -177.64 5.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.812 0.339 . . . . 0.0 110.707 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.401 ' O ' HG23 ' A' ' 16' ' ' VAL . 82.8 mt-30 -75.22 -43.32 52.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.84 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.07 -38.19 70.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.072 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.535 ' HB3' ' HB3' ' A' ' 10' ' ' PHE . . . -59.48 -39.03 82.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.085 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.733 HG13 ' CD2' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -77.86 -42.13 28.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.948 179.812 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.806 ' HB1' ' O ' ' A' ' 22' ' ' ILE . . . -55.07 -36.27 65.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.314 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.0 pttt -77.21 -26.59 52.89 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.984 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.801 ' HB1' HG21 ' A' ' 45' ' ' VAL . . . -68.96 -59.17 3.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.282 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.575 HD22 ' HB2' ' A' ' 41' ' ' ARG . 11.3 mt -79.81 -23.96 41.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.207 -179.809 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 97.06 28.29 8.78 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.608 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.806 ' O ' ' HB1' ' A' ' 17' ' ' ALA . 31.3 pt -111.22 -179.97 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.78 0.324 . . . . 0.0 111.098 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 73.8 m -95.8 168.61 10.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.792 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -58.31 -30.52 66.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.964 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.43 -44.61 90.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.015 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.576 ' HB3' HD12 ' A' ' 22' ' ' ILE . . . -57.9 -46.3 85.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.113 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 58.6 t -68.55 -37.01 77.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.997 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 23.0 t -72.87 -34.7 66.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -68.28 -18.58 64.57 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.146 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.434 ' CE3' HG22 ' A' ' 34' ' ' ILE . 27.1 m0 -53.17 -178.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.929 0.395 . . . . 0.0 111.236 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 29.1 mttm -147.56 -162.95 1.65 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.773 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -49.93 -26.67 4.37 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.189 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.654 HG12 ' HE1' ' A' ' 57' ' ' TYR . 3.5 t -136.2 114.9 15.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.969 179.817 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.609 ' CD1' HD11 ' A' ' 42' ' ' LEU . 39.9 pt -65.15 161.0 52.75 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.318 -179.818 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.419 ' HD2' ' HB ' ' A' ' 34' ' ' ILE . 53.3 Cg_exo -52.69 163.23 1.99 Allowed 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.471 2.114 . . . . 0.0 112.308 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -72.89 -30.37 63.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.037 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 9.6 mttp -85.07 -23.37 28.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.204 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -79.67 -46.8 16.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.896 0.379 . . . . 0.0 110.067 179.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.743 ' HB1' ' HG3' ' A' ' 1' ' ' MET . . . -60.85 -24.63 66.05 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.956 179.256 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 21.6 t80 -68.1 -55.83 11.05 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.172 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.575 ' HB2' HD22 ' A' ' 20' ' ' LEU . 7.2 mtt85 -55.87 -22.08 23.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.58 -179.64 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.609 HD11 ' CD1' ' A' ' 34' ' ' ILE . 51.3 mt -52.52 -57.98 8.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.797 0.332 . . . . 0.0 111.344 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -53.81 -23.74 13.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.596 -179.665 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.8 mt -85.97 -50.66 14.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.736 0.303 . . . . 0.0 111.35 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.801 HG21 ' HB1' ' A' ' 19' ' ' ALA . 0.6 OUTLIER -71.73 -42.91 70.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.037 0.446 . . . . 0.0 111.484 -179.596 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.436 ' N ' ' CG1' ' A' ' 45' ' ' VAL . 19.2 p -79.82 3.95 18.01 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.901 -179.583 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 62.79 30.2 16.71 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.811 0.339 . . . . 0.0 111.237 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 80.74 27.07 52.16 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.532 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.61 -50.98 71.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.862 0.363 . . . . 0.0 110.907 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.8 mp -98.93 -178.07 3.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.754 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.53 103.88 9.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.877 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -71.63 115.77 11.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -123.87 133.18 53.82 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.712 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -90.16 26.05 2.0 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.386 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -72.76 -74.96 0.15 Allowed 'General case' 0 C--O 1.234 0.265 0 CA-C-O 120.756 0.312 . . . . 0.0 110.482 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.11 -18.48 60.93 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.896 0.379 . . . . 0.0 111.008 179.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.654 ' HE1' HG12 ' A' ' 33' ' ' VAL . 21.7 m-85 -79.56 -14.84 58.57 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.184 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 16.3 mtp180 . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 121.129 0.49 . . . . 0.0 110.529 -179.668 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.58 ' HE3' ' HB1' ' A' ' 39' ' ' ALA . 0.9 OUTLIER . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.895 0.379 . . . . 0.0 111.322 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.461 ' O ' HG23 ' A' ' 6' ' ' VAL . 4.3 m-85 -76.85 159.08 30.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.835 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 11.2 tttt -71.11 -30.14 66.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.934 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 9.8 ttmt -60.67 -44.31 96.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.99 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.13 -51.96 66.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.016 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 2' ' ' TYR . 3.4 t -53.81 -53.68 25.07 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.354 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.186 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 52.8 mt -57.85 -29.33 35.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.12 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.19 -27.02 53.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.889 0.376 . . . . 0.0 110.343 179.773 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 22.7 t60 -85.69 -30.9 22.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.713 179.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.675 ' CE2' HG13 ' A' ' 16' ' ' VAL . 43.2 m-85 -93.8 -34.61 13.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.219 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 92.33 -45.98 2.6 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.19 -179.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 43.2 p -132.85 137.8 46.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.71 0.291 . . . . 0.0 110.527 179.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -50.87 -51.12 54.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.251 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.1 tpp180 -46.95 -34.14 5.26 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.291 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.43 -51.49 65.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.024 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.675 HG13 ' CE2' ' A' ' 10' ' ' PHE . 0.5 OUTLIER -54.75 -43.64 67.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.187 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.755 ' HB1' ' O ' ' A' ' 22' ' ' ILE . . . -59.7 -28.57 67.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.136 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.88 -30.85 62.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.001 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.674 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . -79.65 -36.25 38.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.208 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.531 HD23 ' HB2' ' A' ' 41' ' ' ARG . 10.7 mt -89.49 -31.17 17.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.901 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 92.95 26.75 15.59 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.371 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.755 ' O ' ' HB1' ' A' ' 17' ' ' ALA . 39.9 pt -112.43 -178.01 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.826 0.345 . . . . 0.0 111.051 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.2 p -84.79 161.64 19.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.841 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -65.61 -32.34 73.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.91 -43.85 97.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.119 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.54 -32.74 70.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.12 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.424 HG13 ' CZ3' ' A' ' 30' ' ' TRP . 47.8 t -72.76 -43.04 61.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.095 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.7 t -71.03 -30.46 66.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.909 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -72.68 -13.95 61.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.478 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.498 ' CD2' HG22 ' A' ' 34' ' ' ILE . 20.1 m0 -54.97 129.66 38.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.934 0.397 . . . . 0.0 111.176 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.14 -164.91 0.95 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.595 179.749 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -47.82 -28.93 2.83 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.025 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.7 t -133.75 124.8 48.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.889 179.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.649 ' CD1' HD12 ' A' ' 42' ' ' LEU . 42.4 pt -64.51 158.34 67.53 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.154 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.435 ' HD3' ' CD1' ' A' ' 30' ' ' TRP . 77.7 Cg_exo -50.77 168.66 0.2 Allowed 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.596 2.198 . . . . 0.0 112.643 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.428 ' HG3' ' CD1' ' A' ' 57' ' ' TYR . 4.3 tt0 -67.5 -58.95 3.82 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.34 -179.776 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.0 mttt -65.63 -15.68 62.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.789 -179.406 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -79.85 -53.13 7.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.816 0.341 . . . . 0.0 110.637 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.58 ' HB1' ' HE3' ' A' ' 1' ' ' MET . . . -62.19 -22.31 65.8 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.493 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 83.4 t80 -72.91 -63.61 1.14 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.026 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.531 ' HB2' HD23 ' A' ' 20' ' ' LEU . 5.0 mtp85 -57.07 -21.23 30.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.423 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.649 HD12 ' CD1' ' A' ' 34' ' ' ILE . 15.1 mt -64.52 -40.59 95.92 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.568 -179.501 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -54.83 -52.16 63.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.902 0.382 . . . . 0.0 111.007 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.634 ' H ' HD12 ' A' ' 44' ' ' ILE . 3.6 mp -58.65 -47.51 88.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.084 -0.507 . . . . 0.0 112.328 -179.494 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.674 HG11 ' HB1' ' A' ' 19' ' ' ALA . 11.3 m -63.76 -41.24 91.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.948 0.404 . . . . 0.0 111.548 -179.258 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.479 HG23 HG23 ' A' ' 45' ' ' VAL . 65.2 p -79.7 6.59 10.38 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.854 -179.508 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 63.78 35.24 11.36 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.912 0.387 . . . . 0.0 111.183 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 76.56 26.46 63.16 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.593 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.42 -56.76 17.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.895 0.379 . . . . 0.0 110.939 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.485 HD13 ' SD ' ' A' ' 1' ' ' MET . 2.9 mt -98.24 144.95 27.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.62 179.672 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.45 112.35 24.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.89 0.376 . . . . 0.0 111.217 -179.702 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.499 ' CE1' ' CD2' ' A' ' 57' ' ' TYR . 2.3 t80 -67.79 132.1 46.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.9 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -117.76 143.82 45.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.435 179.682 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -90.25 38.09 0.92 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.786 0.327 . . . . 0.0 111.426 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -90.4 -76.9 0.42 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.563 -0.289 . . . . 0.0 110.94 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.98 -13.35 61.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.827 0.346 . . . . 0.0 111.579 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.499 ' CD2' ' CE1' ' A' ' 52' ' ' TYR . 75.8 m-85 -98.54 26.91 5.14 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.133 0.492 . . . . 0.0 111.187 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.204 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.833 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.852 0.358 . . . . 0.0 111.152 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -91.79 143.67 26.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.729 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.576 ' HD3' HD11 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -56.86 -27.35 60.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.037 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.9 tttp -59.26 -50.23 74.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.942 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -58.57 -46.87 86.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.921 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.536 HG21 HG21 ' A' ' 34' ' ' ILE . 2.7 t -57.35 -51.68 66.45 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.489 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.188 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.576 HD11 ' HD3' ' A' ' 3' ' ' LYS . 57.5 mt -60.23 -27.99 40.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.224 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.58 -26.42 55.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.532 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.671 ' CD2' HG22 ' A' ' 46' ' ' THR . 34.8 t60 -86.33 -32.45 21.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.699 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.593 ' CE2' HG13 ' A' ' 16' ' ' VAL . 45.4 m-85 -92.15 -33.2 14.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.001 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 92.02 -46.87 2.68 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.202 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -134.51 148.52 50.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.734 0.302 . . . . 0.0 110.689 179.751 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -56.02 -51.66 67.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.058 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.6 -39.07 7.22 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.403 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.0 -51.33 70.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.998 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.593 HG13 ' CE2' ' A' ' 10' ' ' PHE . 0.6 OUTLIER -55.59 -44.9 78.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.192 179.921 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.01 -29.03 69.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.165 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.36 22.51 3.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.272 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -132.07 -46.29 0.93 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.746 0.308 . . . . 0.0 111.103 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 16.8 mt -80.27 -31.06 38.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.881 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 109.09 28.13 4.54 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.544 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.499 HD12 ' HB3' ' A' ' 26' ' ' ALA . 41.2 pt -116.63 -179.11 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.858 0.361 . . . . 0.0 110.961 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.1 t -89.83 161.19 16.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -59.67 -30.84 69.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.947 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.14 -33.18 69.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.083 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.499 ' HB3' HD12 ' A' ' 22' ' ' ILE . . . -59.36 -43.59 92.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.064 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.437 HG13 ' CZ3' ' A' ' 30' ' ' TRP . 41.7 t -66.35 -47.87 82.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.064 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 18.2 p -67.2 -29.28 68.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.918 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -72.69 -19.43 61.41 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.401 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.437 ' CZ3' HG13 ' A' ' 27' ' ' VAL . 33.1 m0 -52.92 155.92 2.23 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.056 0.455 . . . . 0.0 111.145 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.4 mmtp -107.12 -170.66 1.74 Allowed 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.834 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -48.08 -28.49 2.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.779 0.323 . . . . 0.0 110.95 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 31.7 t -127.02 119.77 53.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 179.653 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.568 ' CD1' ' HB2' ' A' ' 39' ' ' ALA . 47.2 pt -56.01 156.96 9.14 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.201 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -53.55 -175.05 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.489 2.126 . . . . 0.0 112.256 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.401 ' CG ' ' HB3' ' A' ' 57' ' ' TYR . 71.1 tt0 -89.95 -41.14 11.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.182 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 9.2 mtpt -81.45 -17.8 47.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.49 -179.584 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -79.75 -47.88 14.54 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 179.681 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.887 ' HA ' HD12 ' A' ' 42' ' ' LEU . . . -56.88 -25.83 57.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.852 179.281 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -75.89 -49.62 17.36 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.972 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 18.0 mtt85 -67.53 -30.47 70.14 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.144 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.887 HD12 ' HA ' ' A' ' 39' ' ' ALA . 14.7 mt -58.52 -39.47 80.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.115 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.74 -17.82 65.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.247 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.8 mt -91.14 -48.25 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.032 0.444 . . . . 0.0 111.011 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.549 HG23 HG23 ' A' ' 46' ' ' THR . 16.6 m -61.49 -43.13 96.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.261 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.671 HG22 ' CD2' ' A' ' 9' ' ' HIS . 74.7 p -79.83 4.72 15.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.895 -179.491 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 65.88 30.39 9.93 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 120.824 0.345 . . . . 0.0 111.244 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 80.63 26.91 52.94 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.649 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.514 ' HB3' ' HB ' ' A' ' 46' ' ' THR . . . -68.68 -36.66 78.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.798 0.332 . . . . 0.0 110.975 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 23.4 mt -102.53 -176.53 3.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.763 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -128.26 107.77 10.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.888 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -74.54 126.51 30.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.866 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.421 ' O ' ' CD2' ' A' ' 57' ' ' TYR . 36.8 mt-30 -128.35 120.7 27.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.566 179.619 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -85.1 19.2 2.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.715 -179.707 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -61.25 -69.13 0.25 Allowed 'General case' 0 CA--C 1.518 -0.287 0 CA-C-O 120.764 0.316 . . . . 0.0 110.326 179.72 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.23 -13.34 62.13 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-O 120.812 0.339 . . . . 0.0 110.989 179.328 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.421 ' CD2' ' O ' ' A' ' 53' ' ' GLN . 14.6 m-85 -97.4 26.52 4.83 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.0 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 16.1 ttp85 . . . . . 0 C--N 1.327 -0.381 0 CA-C-O 121.09 0.471 . . . . 0.0 110.987 179.95 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.59 ' CG ' HD11 ' A' ' 34' ' ' ILE . 3.4 ptp . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.837 0.351 . . . . 0.0 111.174 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -83.05 139.9 32.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.965 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.703 ' CE ' HD11 ' A' ' 7' ' ' ILE . 34.5 tttt -59.32 -24.39 63.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.059 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.8 -38.38 67.25 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.032 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.98 -48.84 33.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.802 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.1 t -54.29 -57.13 6.8 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.018 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.703 HD11 ' CE ' ' A' ' 3' ' ' LYS . 46.3 mt -56.86 -26.76 24.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.119 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.96 -27.73 49.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.001 0.429 . . . . 0.0 110.343 179.651 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.477 ' CD2' HG22 ' A' ' 46' ' ' THR . 17.9 t60 -87.43 -29.11 21.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.725 179.78 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.565 ' HB3' ' HB3' ' A' ' 15' ' ' ALA . 55.0 m-85 -96.43 -27.38 14.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.132 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 92.37 -47.82 2.61 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.12 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.7 p -142.5 155.97 45.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.808 0.337 . . . . 0.0 110.51 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -54.86 -50.69 68.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.997 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.1 ttt-85 -44.9 -40.21 6.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.499 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.565 ' HB3' ' HB3' ' A' ' 10' ' ' PHE . . . -60.62 -51.12 70.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.072 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.45 HG13 ' CE2' ' A' ' 10' ' ' PHE . 0.9 OUTLIER -55.91 -40.92 65.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.199 179.927 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.78 ' HB1' ' O ' ' A' ' 22' ' ' ILE . . . -61.01 -30.01 70.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.168 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.3 mmtp -76.2 -30.87 58.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.996 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.45 ' HB2' ' HE1' ' A' ' 10' ' ' PHE . . . -76.24 -49.45 17.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.255 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.569 HD21 ' HG ' ' A' ' 42' ' ' LEU . 15.5 mt -79.93 -29.57 39.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.974 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 93.57 28.0 12.08 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.458 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.78 ' O ' ' HB1' ' A' ' 17' ' ' ALA . 31.6 pt -110.01 -179.57 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.82 0.343 . . . . 0.0 111.127 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 91.9 p -88.91 161.65 16.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.895 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.07 -31.39 72.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.944 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.36 -44.16 97.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.02 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.54 -42.89 93.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.083 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 28.7 t -60.9 -52.44 61.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.161 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.8 t -63.19 -36.47 83.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.981 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -61.15 -19.5 61.61 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.562 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.435 ' CE3' HG22 ' A' ' 34' ' ' ILE . 46.7 m0 -53.93 166.94 0.3 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.261 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.4 pttt -126.71 -166.61 1.61 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.16 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -44.67 -30.7 0.98 Allowed 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.386 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 30.5 t -130.51 120.7 49.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.85 179.587 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.59 HD11 ' CG ' ' A' ' 1' ' ' MET . 12.6 pt -54.59 157.88 4.76 Favored Pre-proline 0 C--N 1.33 -0.239 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.165 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_exo -51.0 171.35 0.12 Allowed 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.543 2.162 . . . . 0.0 112.425 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -77.69 -33.21 53.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.228 -179.745 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.1 mttp -90.02 -20.05 23.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.675 -179.605 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -79.73 -40.44 28.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.814 0.34 . . . . 0.0 110.544 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.555 ' HB3' ' CE2' ' A' ' 52' ' ' TYR . . . -62.92 -26.75 68.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.752 179.523 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.4 ' O ' HD12 ' A' ' 44' ' ' ILE . 72.0 t80 -74.14 -51.68 14.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.92 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.434 ' HB2' HD22 ' A' ' 20' ' ' LEU . 4.3 mtt180 -65.82 -24.15 66.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.096 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.569 ' HG ' HD21 ' A' ' 20' ' ' LEU . 9.9 mt -66.52 -34.65 78.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.36 -179.679 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.64 -51.34 70.35 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.976 0.417 . . . . 0.0 110.914 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.645 ' H ' HD12 ' A' ' 44' ' ' ILE . 3.5 mp -61.18 -47.01 95.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.985 -0.552 . . . . 0.0 112.421 -179.368 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.465 HG22 ' HA ' ' A' ' 42' ' ' LEU . 15.2 m -61.11 -42.33 92.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.881 0.372 . . . . 0.0 111.778 -179.232 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.64 ' HB ' ' HB3' ' A' ' 49' ' ' ALA . 23.4 p -79.83 6.5 10.88 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.848 -179.568 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 64.87 31.83 11.26 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-O 120.861 0.362 . . . . 0.0 111.121 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 79.61 26.07 57.38 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.673 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.64 ' HB3' ' HB ' ' A' ' 46' ' ' THR . . . -70.81 -32.12 69.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.912 0.387 . . . . 0.0 110.993 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.521 HD13 ' SD ' ' A' ' 1' ' ' MET . 3.5 mt -118.72 117.76 29.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.736 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 6.9 ttpp -79.92 119.49 22.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.073 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.555 ' CE2' ' HB3' ' A' ' 39' ' ' ALA . 12.0 t80 -61.71 139.7 58.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.028 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.41 ' O ' ' CD2' ' A' ' 57' ' ' TYR . 17.7 mm-40 -133.94 126.19 29.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.693 179.719 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -89.16 46.33 1.37 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.183 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -90.16 -54.72 3.9 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.64 179.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -88.61 -18.67 27.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.197 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.517 ' CD2' ' CE1' ' A' ' 52' ' ' TYR . 22.7 m-85 -79.86 -23.86 41.65 Favored 'General case' 0 CA--C 1.528 0.127 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.981 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 7.1 tpm_? . . . . . 0 C--O 1.235 0.313 0 CA-C-O 121.004 0.431 . . . . 0.0 110.695 -179.895 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.543 ' HB3' HD11 ' A' ' 34' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.855 0.359 . . . . 0.0 111.11 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -89.14 147.35 24.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.632 ' CE ' HD11 ' A' ' 7' ' ' ILE . 7.6 tttt -57.12 -27.14 61.55 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.064 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.66 -48.39 79.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.019 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -61.0 -51.77 67.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.945 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.531 HG13 HD22 ' A' ' 42' ' ' LEU . 3.0 t -54.49 -52.56 38.95 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.434 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.17 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.632 HD11 ' CE ' ' A' ' 3' ' ' LYS . 57.7 mt -57.66 -27.92 30.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.14 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.36 -28.12 52.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.996 0.427 . . . . 0.0 110.45 179.681 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.416 ' CD2' HG22 ' A' ' 46' ' ' THR . 11.3 t60 -85.33 -30.54 23.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.542 179.812 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.576 ' CG ' HG22 ' A' ' 16' ' ' VAL . 47.6 m-85 -94.38 -27.67 15.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.157 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 88.37 -52.63 4.06 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.279 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.408 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 0.8 OUTLIER -129.98 148.05 51.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.729 0.299 . . . . 0.0 110.674 179.828 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -56.55 -53.84 52.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.994 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.99 -31.57 3.3 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.309 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 12' ' ' THR . . . -61.8 -53.76 51.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.886 179.811 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.576 HG22 ' CG ' ' A' ' 10' ' ' PHE . 1.2 t -55.62 -41.02 62.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.077 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.32 -37.25 82.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.09 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.17 22.28 3.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.461 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.762 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . -125.58 -48.86 1.66 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.795 0.331 . . . . 0.0 111.096 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.91 HD23 HG21 ' A' ' 45' ' ' VAL . 11.2 mt -79.97 -30.81 39.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 113.14 27.73 3.59 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.49 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.427 HD12 ' HB3' ' A' ' 26' ' ' ALA . 30.6 pt -122.05 -178.9 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.882 0.372 . . . . 0.0 110.999 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 60.7 p -93.83 162.47 13.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -59.74 -32.15 70.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.853 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.2 -38.91 88.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.137 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.427 ' HB3' HD12 ' A' ' 22' ' ' ILE . . . -62.58 -38.11 88.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.146 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.8 t -67.94 -50.78 56.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.094 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.4 m -61.76 -29.71 70.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.941 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -71.84 -22.19 61.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.335 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.516 ' CE3' HG22 ' A' ' 34' ' ' ILE . 46.8 m0 -53.48 125.89 19.57 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.841 0.353 . . . . 0.0 111.063 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.7 mtmm -80.09 -163.49 0.55 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.624 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -49.58 -27.96 5.09 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.652 0.263 . . . . 0.0 110.991 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.529 HG12 ' HE1' ' A' ' 57' ' ' TYR . 16.1 t -127.91 127.15 67.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.839 0.352 . . . . 0.0 110.956 179.752 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.557 HD13 ' CD1' ' A' ' 42' ' ' LEU . 3.8 pt -57.42 154.61 22.55 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.398 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -55.58 162.76 5.96 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.556 2.171 . . . . 0.0 112.26 179.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.34 -54.08 28.83 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.263 -179.758 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.86 -19.3 64.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.558 -179.595 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -79.66 -45.46 19.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.836 0.35 . . . . 0.0 110.276 179.698 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.871 ' HA ' HD12 ' A' ' 42' ' ' LEU . . . -60.15 -28.44 67.91 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.003 179.564 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.413 ' O ' HD12 ' A' ' 44' ' ' ILE . 92.0 t80 -74.07 -45.46 49.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.99 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.842 ' O ' HG23 ' A' ' 45' ' ' VAL . 0.3 OUTLIER -71.07 -30.02 66.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 -179.849 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.871 HD12 ' HA ' ' A' ' 39' ' ' ALA . 11.8 mt -58.59 -43.45 89.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.06 -179.746 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 59.1 tt0 -49.3 -60.34 2.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.913 0.387 . . . . 0.0 110.77 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.635 ' H ' HD12 ' A' ' 44' ' ' ILE . 3.6 mp -56.14 -46.34 81.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.501 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.91 HG21 HD23 ' A' ' 20' ' ' LEU . 19.6 t -63.28 -35.75 73.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.51 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.635 ' HB ' ' HB3' ' A' ' 49' ' ' ALA . 70.7 p -87.58 11.7 14.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.7 -179.762 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 60.83 28.17 17.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.686 0.279 . . . . 0.0 111.143 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 83.35 29.69 32.63 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.665 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.635 ' HB3' ' HB ' ' A' ' 46' ' ' THR . . . -76.82 -42.3 40.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.841 0.353 . . . . 0.0 110.98 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' A' ' 50' ' ' LEU . 28.4 mt -108.21 125.58 51.81 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.842 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.06 105.73 13.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.988 -179.797 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -65.37 135.02 54.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.656 179.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -130.66 102.73 6.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.04 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -59.78 -22.59 62.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.952 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 13.0 p30 -57.45 -34.78 69.33 Favored 'General case' 0 C--O 1.224 -0.25 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.833 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -92.67 14.03 18.29 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.023 179.663 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.529 ' HE1' HG12 ' A' ' 33' ' ' VAL . 61.6 m-85 -140.43 22.88 2.35 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.787 0.327 . . . . 0.0 110.906 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 15.8 mtt180 . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.928 -179.875 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.598 ' HG2' HD11 ' A' ' 34' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.944 0.402 . . . . 0.0 111.175 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -76.33 148.57 37.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.02 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.622 ' HE2' HD12 ' A' ' 7' ' ' ILE . 0.4 OUTLIER -70.27 -32.5 70.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.143 -179.937 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 16.3 ttpp -59.24 -19.97 50.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.495 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.55 -48.17 9.82 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.702 0.287 . . . . 0.0 111.252 -179.752 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.58 HG21 HG21 ' A' ' 34' ' ' ILE . 3.1 t -53.84 -44.74 61.34 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 CA-C-O 120.846 0.355 . . . . 0.0 111.184 -179.753 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.622 HD12 ' HE2' ' A' ' 3' ' ' LYS . 99.6 mt -70.34 -32.81 51.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.981 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.45 -25.37 50.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.602 179.676 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.6 t60 -84.07 -27.41 28.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.703 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.436 ' CD2' HG13 ' A' ' 16' ' ' VAL . 4.3 m-85 -91.5 -49.94 6.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.992 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 121.03 -29.04 5.9 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.488 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -152.4 179.15 8.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.767 0.318 . . . . 0.0 110.873 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -84.18 -44.54 13.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.894 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 6.9 ttm180 -59.16 -30.86 68.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.931 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.28 -35.28 79.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.072 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.487 HG11 HG12 ' A' ' 6' ' ' VAL . 0.0 OUTLIER -82.37 -35.75 13.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 179.917 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.552 ' HB1' ' O ' ' A' ' 22' ' ' ILE . . . -68.14 -27.38 66.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.252 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.7 -30.94 22.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.919 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.724 ' HB1' HG21 ' A' ' 45' ' ' VAL . . . -68.35 -49.49 59.92 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.165 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.608 HD22 ' HG3' ' A' ' 41' ' ' ARG . 20.6 mt -80.03 -33.6 39.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 106.2 27.29 5.65 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.658 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.552 ' O ' ' HB1' ' A' ' 17' ' ' ALA . 24.8 pt -112.44 -179.99 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.838 0.351 . . . . 0.0 111.068 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -88.95 161.49 16.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -59.05 -31.35 68.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.975 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.61 -41.54 92.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.04 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.11 -45.07 83.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.118 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.428 HG13 ' CZ3' ' A' ' 30' ' ' TRP . 51.5 t -62.96 -42.05 95.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 76.7 p -71.88 -30.94 65.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.995 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.3 -10.55 59.56 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.545 179.825 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.434 ' CD1' ' HD3' ' A' ' 35' ' ' PRO . 21.1 m0 -58.61 130.29 46.15 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.755 0.312 . . . . 0.0 110.699 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.7 mtmm -81.91 -168.46 1.93 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.272 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -48.2 -37.89 16.96 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.771 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 24.3 t -118.07 122.97 70.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.662 179.503 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.616 HD12 ' HA ' ' A' ' 39' ' ' ALA . 7.9 pt -55.82 157.42 7.95 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.425 -179.643 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.434 ' HD3' ' CD1' ' A' ' 30' ' ' TRP . 74.9 Cg_exo -49.11 166.52 0.17 Allowed 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.777 2.318 . . . . 0.0 112.76 -179.714 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.426 ' HG2' ' OH ' ' A' ' 52' ' ' TYR . 6.0 tm-20 -74.05 -36.35 64.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.305 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.8 mttt -90.04 -19.61 24.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.723 -179.496 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -79.75 -41.28 26.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.941 0.401 . . . . 0.0 110.665 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.616 ' HA ' HD12 ' A' ' 34' ' ' ILE . . . -64.52 -24.66 67.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.21 179.643 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -67.67 -75.34 0.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.276 -179.617 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.608 ' HG3' HD22 ' A' ' 20' ' ' LEU . 15.4 ptt180 -51.86 -25.33 7.68 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.326 -179.68 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.442 HD12 ' HA ' ' A' ' 39' ' ' ALA . 9.2 mt -57.74 -37.3 73.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.867 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -63.47 -30.79 71.86 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.884 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.7 mt -79.01 -49.45 20.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.185 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.724 HG21 ' HB1' ' A' ' 19' ' ' ALA . 0.4 OUTLIER -60.09 -39.34 80.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.213 -179.825 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.401 ' N ' ' CG1' ' A' ' 45' ' ' VAL . 72.8 p -82.1 26.51 0.52 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.783 -0.644 . . . . 0.0 112.066 -179.324 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 50.52 27.14 2.71 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.76 0.314 . . . . 0.0 111.462 179.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 76.76 22.64 71.67 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.644 -0.788 . . . . 0.0 112.626 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.6 -54.77 38.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.86 0.362 . . . . 0.0 110.897 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.0 mt -86.96 167.25 14.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.628 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.79 125.45 44.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.923 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.516 ' CE1' ' CD2' ' A' ' 57' ' ' TYR . 13.5 t80 -72.84 130.69 41.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.129 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.471 ' O ' ' CD2' ' A' ' 57' ' ' TYR . 4.9 mt-30 -124.27 124.41 42.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.363 179.659 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -87.58 29.74 0.86 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.665 -179.549 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -90.4 -36.03 14.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.653 0.263 . . . . 0.0 110.526 179.567 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -94.81 -16.52 22.9 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.196 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.516 ' CD2' ' CE1' ' A' ' 52' ' ' TYR . 22.2 m-85 -94.31 22.0 6.45 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.1 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 38.5 mtt-85 . . . . . 0 C--N 1.329 -0.298 0 CA-C-O 120.731 0.3 . . . . 0.0 110.708 -179.601 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 32.2 tpp . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.801 0.334 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -75.44 140.55 42.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.792 179.857 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.22 -40.75 86.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.086 -179.91 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 21.8 ttpt -52.64 -40.92 63.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.242 -179.912 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -60.44 -51.46 69.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.993 179.934 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.435 ' H ' HG23 ' A' ' 6' ' ' VAL . 2.8 t -57.97 -41.75 80.97 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.219 -179.931 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 50.3 mm -69.52 -37.19 74.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.268 -179.787 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.8 -24.89 58.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.351 179.747 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -83.51 -25.35 31.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.655 179.808 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.408 ' CE2' ' HA ' ' A' ' 16' ' ' VAL . 3.1 m-85 -98.01 -43.76 6.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.989 -179.798 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 112.34 -27.38 10.1 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.382 -179.763 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 47.6 p -151.29 179.37 8.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.819 0.342 . . . . 0.0 110.771 179.928 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -89.01 -51.17 5.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.864 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.8 tpp180 -52.29 -29.61 24.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.1 179.855 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.15 -48.43 80.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.989 179.922 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.408 ' HA ' ' CE2' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -59.99 -32.3 49.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 -179.979 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.853 ' HB1' ' O ' ' A' ' 22' ' ' ILE . . . -63.22 -29.28 70.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.074 -179.92 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.4 mttt -76.28 -46.2 28.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.902 -179.984 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.967 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . -59.35 -47.17 86.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.141 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 8.5 mt -84.9 -30.86 24.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.71 26.61 19.48 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.382 -179.932 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.853 ' O ' ' HB1' ' A' ' 17' ' ' ALA . 42.2 pt -109.41 -178.71 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.857 0.361 . . . . 0.0 111.083 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.73 162.19 16.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 179.915 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -58.88 -30.41 67.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.956 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.48 -45.34 91.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.155 -179.943 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.719 ' HB3' HD12 ' A' ' 22' ' ' ILE . . . -58.42 -36.85 74.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.152 179.911 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.413 HG13 ' CZ3' ' A' ' 30' ' ' TRP . 45.5 t -75.63 -44.78 40.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.099 179.905 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.4 t -69.35 -30.8 68.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.862 -179.963 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -71.13 -19.75 62.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.255 179.93 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.413 ' CZ3' HG13 ' A' ' 27' ' ' VAL . 31.4 m0 -52.34 123.44 10.83 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.89 0.376 . . . . 0.0 111.106 -179.95 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.25 -165.52 0.87 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.489 -179.905 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -49.44 -31.67 10.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.131 179.963 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 24.0 t -127.34 111.66 25.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.011 0.434 . . . . 0.0 111.11 179.919 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.565 HG13 ' HB2' ' A' ' 39' ' ' ALA . 35.6 pt -58.39 159.31 12.1 Favored Pre-proline 0 C--N 1.331 -0.23 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.19 179.912 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -49.91 161.53 0.93 Allowed 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.646 2.231 . . . . 0.0 112.354 -179.912 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -69.31 -39.87 77.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.136 -179.889 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.3 mmtp -82.6 -17.47 44.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.427 -179.718 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -79.78 -48.75 13.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.789 0.328 . . . . 0.0 110.435 179.733 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.565 ' HB2' HG13 ' A' ' 34' ' ' ILE . . . -60.51 -27.58 67.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.798 179.461 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -70.32 -53.39 16.94 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.876 179.855 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.34 -26.48 61.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.052 179.948 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 42' ' ' LEU . 31.1 mt -59.31 -44.05 92.59 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.076 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.56 -46.88 70.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.012 179.917 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.476 ' N ' HD13 ' A' ' 44' ' ' ILE . 3.9 mm -59.34 -48.42 87.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.975 -179.809 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.967 HG11 ' HB1' ' A' ' 19' ' ' ALA . 7.8 m -69.49 -39.97 79.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.334 -0.393 . . . . 0.0 112.023 -179.241 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.424 HG23 HG23 ' A' ' 45' ' ' VAL . 79.2 p -79.77 14.67 1.63 Allowed 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -179.215 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 58.86 26.72 15.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.746 0.308 . . . . 0.0 111.28 179.625 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 73.43 40.5 47.88 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.628 179.978 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -86.0 -43.91 12.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.912 0.387 . . . . 0.0 110.991 179.968 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 10.5 mt -94.06 124.44 38.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.817 179.87 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 17.3 pttt -80.47 112.18 17.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.06 -179.761 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.506 ' CE1' ' CD2' ' A' ' 57' ' ' TYR . 10.2 t80 -61.95 117.67 6.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.916 179.774 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -99.58 115.94 30.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.934 179.968 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -90.29 34.37 0.87 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.334 -179.9 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -88.61 -45.93 9.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.827 0.346 . . . . 0.0 110.572 179.803 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -89.82 -10.07 46.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.333 179.73 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.506 ' CD2' ' CE1' ' A' ' 52' ' ' TYR . 35.0 m-85 -90.41 11.7 20.73 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.327 -179.935 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.518 -0.267 0 CA-C-O 120.76 0.314 . . . . 0.0 111.0 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.537 ' HB3' HD11 ' A' ' 34' ' ' ILE . 1.9 ttm . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.894 0.378 . . . . 0.0 111.148 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.461 ' O ' HG23 ' A' ' 6' ' ' VAL . 2.1 m-85 -86.14 138.56 31.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.488 ' HD3' HD11 ' A' ' 7' ' ' ILE . 0.1 OUTLIER -59.46 -31.4 69.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.963 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.71 -31.82 71.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.803 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 47.8 m-20 -79.4 -45.62 19.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.844 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 2' ' ' TYR . 2.8 t -56.35 -51.43 64.08 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.182 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.488 HD11 ' HD3' ' A' ' 3' ' ' LYS . 56.3 mt -58.97 -29.4 40.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.184 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.57 -26.21 54.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.977 0.418 . . . . 0.0 110.538 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.507 ' CD2' HG22 ' A' ' 46' ' ' THR . 13.4 t60 -84.65 -30.79 24.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.576 179.758 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.543 ' CE2' HG13 ' A' ' 16' ' ' VAL . 41.4 m-85 -94.68 -29.78 14.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.193 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 87.86 -52.62 4.19 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.136 -179.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 20.8 p -125.24 135.37 52.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.782 0.325 . . . . 0.0 110.472 179.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -50.22 -48.84 54.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.298 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 12.0 mtp180 -47.97 -32.08 6.05 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.181 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.35 -50.84 64.07 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.077 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.543 HG13 ' CE2' ' A' ' 10' ' ' PHE . 0.8 OUTLIER -55.62 -46.17 79.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.071 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.8 ' HB1' ' O ' ' A' ' 22' ' ' ILE . . . -60.0 -33.21 71.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.097 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -75.01 -30.09 61.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.941 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.811 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . -70.19 -49.47 49.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.022 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.743 HD21 ' HG ' ' A' ' 42' ' ' LEU . 9.1 mt -80.01 -33.62 39.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 106.66 27.61 5.41 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.592 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.8 ' O ' ' HB1' ' A' ' 17' ' ' ALA . 29.9 pt -115.42 -179.54 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.829 0.347 . . . . 0.0 111.098 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.2 m -88.08 162.95 16.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 26.0 p-10 -63.14 -32.16 73.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.96 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.1 -43.51 95.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.94 -38.76 79.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.139 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 25.7 t -63.92 -52.12 60.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.169 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.63 -33.53 75.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.32 -21.28 66.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.246 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.676 ' CE3' HG22 ' A' ' 34' ' ' ILE . 48.0 m0 -54.21 165.99 0.45 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.201 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.9 mttm -121.39 -163.64 1.06 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.646 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -49.29 -28.22 4.57 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.046 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.7 t -129.75 116.69 39.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 179.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.676 HG22 ' CE3' ' A' ' 30' ' ' TRP . 8.9 pt -56.82 155.11 15.84 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.264 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -50.79 159.55 2.28 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.555 2.17 . . . . 0.0 112.42 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -67.84 -35.04 77.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.1 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -83.19 -23.79 32.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.309 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -79.82 -42.16 24.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.815 0.34 . . . . 0.0 110.342 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.545 ' HA ' HD12 ' A' ' 34' ' ' ILE . . . -64.35 -27.0 68.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.73 179.445 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 89.7 t80 -66.54 -69.11 0.32 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.029 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.3 -28.62 59.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.161 -179.763 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.743 ' HG ' HD21 ' A' ' 20' ' ' LEU . 10.9 mt -59.06 -33.31 70.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.062 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 55.7 tt0 -68.65 -20.95 64.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.329 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.8 mt -88.36 -50.24 13.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.869 0.366 . . . . 0.0 111.376 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.811 HG11 ' HB1' ' A' ' 19' ' ' ALA . 2.5 m -58.69 -37.35 65.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.301 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.507 HG22 ' CD2' ' A' ' 9' ' ' HIS . 70.5 p -80.03 5.57 13.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.798 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.422 ' HB3' ' O ' ' A' ' 46' ' ' THR . . . 67.53 33.99 4.85 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-O 120.803 0.335 . . . . 0.0 110.997 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 76.06 25.88 65.58 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.608 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.84 -62.38 1.91 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.928 0.394 . . . . 0.0 111.016 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.7 mt -95.62 123.84 39.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.742 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.99 119.35 22.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.921 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.473 ' CE1' ' CD2' ' A' ' 57' ' ' TYR . 3.6 t80 -68.31 133.89 49.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.104 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.44 142.29 48.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.491 179.773 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -86.06 45.12 1.19 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.345 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -90.34 -62.0 1.56 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.847 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -85.07 -7.47 59.09 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.703 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.473 ' CD2' ' CE1' ' A' ' 52' ' ' TYR . 17.6 m-85 -106.49 30.71 5.78 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.526 -0.307 . . . . 0.0 110.898 -179.709 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.65 99.52 5.39 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.932 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -135.05 81.62 1.91 Allowed 'General case' 0 N--CA 1.449 -0.479 0 CA-C-O 120.924 0.393 . . . . 0.0 110.911 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -155.06 63.86 0.64 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.073 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.141 0 CA-C-O 118.319 -0.848 . . . . 0.0 111.165 179.879 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.473 ' HB3' HD11 ' A' ' 34' ' ' ILE . 10.1 ttm . . . . . 0 N--CA 1.484 1.258 0 CA-C-O 120.968 0.414 . . . . 0.0 111.27 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 74.4 m-85 -91.0 145.9 24.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.851 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 5.1 ttpm? -54.53 -29.79 51.8 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.938 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 69.0 tttt -61.48 -40.48 94.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.749 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -65.91 -53.84 34.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.935 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.3 t -54.06 -51.04 50.18 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.429 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.085 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 45.3 mt -60.91 -26.43 38.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.977 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.84 -27.67 55.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.365 179.714 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.476 ' CE1' ' HB ' ' A' ' 46' ' ' THR . 18.3 t60 -85.8 -33.45 21.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.588 179.768 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.719 ' CE2' HG13 ' A' ' 16' ' ' VAL . 40.4 m-85 -90.45 -38.24 13.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.182 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.28 -36.44 3.81 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.196 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.9 p -145.26 143.84 30.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.734 0.302 . . . . 0.0 110.571 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -52.82 -49.17 66.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.185 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -48.41 -38.96 20.97 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.432 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.92 -48.09 83.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.041 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.719 HG13 ' CE2' ' A' ' 10' ' ' PHE . 0.4 OUTLIER -59.07 -49.12 84.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.058 -179.885 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.646 ' HB1' ' O ' ' A' ' 22' ' ' ILE . . . -58.16 -38.77 77.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.192 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.96 -29.51 66.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.029 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -80.89 -44.77 17.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.187 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 64.9 mt -79.92 -30.73 40.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.929 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 105.76 -7.64 42.21 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.869 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.646 ' O ' ' HB1' ' A' ' 17' ' ' ALA . 37.8 pt -80.0 177.71 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-O 120.861 0.363 . . . . 0.0 111.115 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.9 m -85.57 159.07 19.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -59.69 -30.46 68.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.929 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.6 -38.69 87.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.107 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.565 ' HB3' HD12 ' A' ' 22' ' ' ILE . . . -59.69 -43.55 94.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.097 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 62.4 t -69.18 -34.54 63.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.081 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.6 p -72.9 -31.69 64.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -74.45 -16.23 60.87 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.294 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 17.1 m0 -52.45 125.97 17.91 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.785 0.326 . . . . 0.0 111.178 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.5 mmmt -80.23 -163.78 0.6 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.624 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -51.16 -33.68 28.01 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.846 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.528 HG12 ' HE1' ' A' ' 57' ' ' TYR . 19.4 t -126.15 130.19 72.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.986 0.422 . . . . 0.0 110.992 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.473 HD11 ' HB3' ' A' ' 1' ' ' MET . 35.1 pt -66.63 162.27 52.4 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.215 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_exo -56.84 161.68 9.97 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.407 2.071 . . . . 0.0 111.945 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.402 ' CG ' ' HB3' ' A' ' 57' ' ' TYR . 4.2 tm-20 -68.36 -32.74 73.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.44 -179.741 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -88.95 -17.41 29.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.683 -179.57 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -79.76 -41.72 26.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.88 0.371 . . . . 0.0 110.367 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.636 ' HA ' HD12 ' A' ' 42' ' ' LEU . . . -59.84 -27.27 66.5 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.154 179.574 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -74.58 -46.16 40.54 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.155 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.4 mtp180 -62.57 -31.9 72.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.384 -179.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.636 HD12 ' HA ' ' A' ' 39' ' ' ALA . 86.2 mt -58.75 -40.84 85.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.217 -179.685 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -61.43 -18.16 57.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.471 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.8 mt -92.58 -50.13 12.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.833 0.349 . . . . 0.0 111.41 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.442 HG23 HG23 ' A' ' 46' ' ' THR . 3.4 m -64.25 -38.95 83.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.256 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.567 ' HB ' ' HB3' ' A' ' 49' ' ' ALA . 43.9 p -80.04 4.79 16.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.739 -179.735 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 65.29 31.19 10.78 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.981 0.42 . . . . 0.0 111.023 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.34 24.92 53.06 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.632 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.567 ' HB3' ' HB ' ' A' ' 46' ' ' THR . . . -66.9 -55.75 13.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.872 0.367 . . . . 0.0 111.023 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.418 ' CD1' HG21 ' A' ' 46' ' ' THR . 4.8 mp -91.07 132.17 36.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.812 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.5 mppt? -84.68 97.06 9.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.005 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.436 ' HA ' ' HE3' ' A' ' 1' ' ' MET . 21.5 t80 -60.82 133.68 56.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.625 179.669 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -136.52 111.12 8.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.053 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.36 -15.24 56.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.161 179.771 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 32.4 m-20 -50.61 -45.47 57.54 Favored 'General case' 0 C--O 1.223 -0.299 0 CA-C-O 120.706 0.289 . . . . 0.0 111.118 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -90.24 13.56 14.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.984 179.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.528 ' HE1' HG12 ' A' ' 33' ' ' VAL . 58.3 m-85 -133.18 25.32 4.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.896 0.379 . . . . 0.0 110.876 -179.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.17 -43.09 2.34 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.722 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -150.32 35.15 0.64 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.67 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -118.11 126.88 53.12 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.24 179.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.003 0 CA-C-O 118.24 -0.886 . . . . 0.0 111.156 -179.95 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.487 ' SD ' HD22 ' A' ' 50' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.488 1.45 0 CA-C-O 120.863 0.364 . . . . 0.0 111.227 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.413 ' HA ' ' HA ' ' A' ' 33' ' ' VAL . 10.5 m-85 -84.42 141.11 31.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.938 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.95 -29.14 59.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.161 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.53 -26.81 63.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.196 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -83.8 -46.58 12.05 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.994 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.594 HG21 HG21 ' A' ' 34' ' ' ILE . 3.5 t -53.35 -55.41 12.99 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.409 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.403 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 42.4 mt -56.16 -27.38 23.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.1 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.28 -28.39 47.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.017 0.437 . . . . 0.0 110.487 179.714 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.665 ' NE2' HG22 ' A' ' 46' ' ' THR . 8.2 t60 -85.57 -30.03 23.66 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.662 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.665 ' CE2' HG13 ' A' ' 16' ' ' VAL . 55.2 m-85 -96.12 -28.49 14.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.103 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 88.59 -52.23 3.97 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.041 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.9 p -133.32 141.25 47.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.731 0.3 . . . . 0.0 110.534 179.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.47 -47.08 57.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.092 -179.773 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.2 ttp85 -47.13 -32.96 4.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.315 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.409 ' HB3' ' HB3' ' A' ' 10' ' ' PHE . . . -65.53 -50.96 63.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.057 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.665 HG13 ' CE2' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -59.84 -41.85 87.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.594 ' HB1' ' O ' ' A' ' 22' ' ' ILE . . . -57.81 -33.15 68.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.105 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.3 ttmm -78.76 -30.28 45.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.924 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.623 ' HB1' ' CB ' ' A' ' 45' ' ' VAL . . . -74.44 -48.17 29.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.101 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.677 HD21 ' HG ' ' A' ' 42' ' ' LEU . 6.5 mt -80.08 -33.11 39.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 98.33 27.94 8.37 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.508 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.594 ' O ' ' HB1' ' A' ' 17' ' ' ALA . 39.4 pt -113.78 179.89 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.87 0.367 . . . . 0.0 111.047 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 39.8 m -80.46 149.9 29.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 19.0 p-10 -60.23 -31.79 70.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.881 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.34 -42.32 98.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.098 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.66 -35.56 74.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.038 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.502 HG13 ' CZ3' ' A' ' 30' ' ' TRP . 39.7 t -66.52 -50.76 64.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.062 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.86 -30.9 71.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -67.43 -19.28 65.35 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.307 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.502 ' CZ3' HG13 ' A' ' 27' ' ' VAL . 33.7 m0 -52.04 148.82 5.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.741 0.305 . . . . 0.0 111.182 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.4 mttt -96.04 -163.9 1.1 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.3 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.406 ' O ' ' CD2' ' A' ' 2' ' ' TYR . 8.4 mt-10 -51.04 -29.14 11.9 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.935 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.413 ' HA ' ' HA ' ' A' ' 2' ' ' TYR . 19.7 t -126.9 136.66 60.17 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.408 0 CA-C-N 116.587 -0.279 . . . . 0.0 110.939 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.594 HG21 HG21 ' A' ' 6' ' ' VAL . 8.3 pt -70.49 152.51 95.4 Favored Pre-proline 0 C--N 1.331 -0.202 0 CA-C-O 120.846 0.355 . . . . 0.0 111.225 -179.807 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_exo -51.78 -175.96 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.684 2.256 . . . . 0.0 112.461 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.52 -49.41 7.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.207 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 43.8 mttp -71.35 -20.62 62.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.479 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -79.64 -46.41 17.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.88 0.372 . . . . 0.0 110.306 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.849 ' HA ' HD12 ' A' ' 42' ' ' LEU . . . -61.49 -25.72 67.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.898 179.543 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 80.2 t80 -70.54 -59.46 2.83 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.059 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.78 -29.53 70.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.224 -179.737 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.849 HD12 ' HA ' ' A' ' 39' ' ' ALA . 17.7 mt -55.14 -37.77 67.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.324 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -66.56 -23.38 66.2 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.31 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.8 mt -85.83 -49.04 15.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.787 0.327 . . . . 0.0 111.504 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.623 ' CB ' ' HB1' ' A' ' 19' ' ' ALA . 2.8 m -61.09 -37.54 77.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.403 -179.729 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.665 HG22 ' NE2' ' A' ' 9' ' ' HIS . 55.0 p -79.98 7.66 8.54 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.876 -179.651 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 65.73 30.41 10.24 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.847 0.356 . . . . 0.0 111.018 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 79.39 8.98 87.4 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.891 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.407 ' HB3' ' HB ' ' A' ' 46' ' ' THR . . . -63.74 -38.75 92.29 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.816 0.341 . . . . 0.0 110.837 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.487 HD22 ' SD ' ' A' ' 1' ' ' MET . 14.3 mt -106.78 121.9 45.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.736 179.767 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.0 135.05 36.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.916 -179.665 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -92.76 128.14 38.51 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.675 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 68.1 mm-40 -118.91 108.11 14.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.776 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -79.15 3.66 16.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.554 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 67.0 m-20 -53.28 -70.44 0.09 Allowed 'General case' 0 C--O 1.225 -0.189 0 CA-C-O 120.647 0.26 . . . . 0.0 110.847 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.0 -16.92 62.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.178 179.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -94.21 19.79 8.9 Favored 'General case' 0 CA--C 1.528 0.112 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.3 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -86.12 -31.01 22.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.845 0.355 . . . . 0.0 110.855 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -149.49 117.11 6.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.619 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -92.7 -66.86 0.89 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.355 -0.831 . . . . 0.0 110.967 -179.922 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.578 ' CG ' HD11 ' A' ' 34' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.922 0.392 . . . . 0.0 111.166 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.418 ' CE2' ' HG2' ' A' ' 32' ' ' GLU . 3.0 m-85 -82.71 159.34 22.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.882 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.79 -33.98 77.11 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.939 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -51.56 -45.49 63.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.225 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -60.81 -52.72 63.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.741 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.531 HG21 HG21 ' A' ' 34' ' ' ILE . 2.9 t -56.65 -49.52 77.65 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.961 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 35.3 mm -59.45 -30.85 45.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.061 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.26 -25.05 51.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.553 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 20.9 t60 -84.35 -31.6 24.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.57 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.474 ' CE2' HG13 ' A' ' 16' ' ' VAL . 46.0 m-85 -94.2 -41.03 9.7 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.076 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 96.15 -33.2 5.76 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.332 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.7 p -146.57 147.77 31.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.841 0.353 . . . . 0.0 110.673 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -56.9 -50.89 71.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.007 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.7 mtm105 -44.35 -42.55 6.9 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.426 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.33 -50.91 72.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.901 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.474 HG13 ' CE2' ' A' ' 10' ' ' PHE . 1.1 t -57.7 -46.91 86.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.209 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.09 -40.19 76.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.158 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.19 -28.43 63.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.689 ' HB1' ' CG1' ' A' ' 45' ' ' VAL . . . -75.08 -53.12 9.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.131 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.65 HD22 ' HB2' ' A' ' 41' ' ' ARG . 9.7 mt -79.87 -34.47 39.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.849 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 89.54 48.33 3.74 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.418 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.2 pt -111.73 -96.41 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.506 0.193 . . . . 0.0 111.042 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.6 m -175.87 154.75 1.55 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.799 0.333 . . . . 0.0 110.804 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.01 -19.56 44.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.093 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.34 -45.68 15.8 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.777 0.322 . . . . 0.0 111.146 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.4 ' O ' ' CD1' ' A' ' 30' ' ' TRP . . . -57.94 -44.55 87.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.124 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 46.4 t -65.07 -43.8 95.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.035 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.53 -29.44 67.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.955 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -80.81 -11.19 59.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.467 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.4 ' CD1' ' O ' ' A' ' 26' ' ' ALA . 24.2 m0 -53.97 127.78 27.71 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.882 0.372 . . . . 0.0 111.093 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.5 mttm -83.29 -166.68 1.43 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.027 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.418 ' HG2' ' CE2' ' A' ' 2' ' ' TYR . 0.2 OUTLIER -49.31 -28.04 4.48 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.696 0.284 . . . . 0.0 111.056 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.491 HG12 ' HE1' ' A' ' 57' ' ' TYR . 13.3 t -127.89 133.32 67.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.069 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.578 HD11 ' CG ' ' A' ' 1' ' ' MET . 29.8 pt -68.72 151.71 97.1 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.35 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -52.57 163.61 1.76 Allowed 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.505 2.137 . . . . 0.0 112.281 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -68.4 -44.73 74.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.171 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.1 mtpp -76.65 -19.29 57.93 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.433 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -79.72 -45.24 19.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.909 0.385 . . . . 0.0 110.384 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.5 ' HA ' HD12 ' A' ' 34' ' ' ILE . . . -61.46 -25.94 67.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.055 179.61 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 44.5 t80 -69.83 -55.18 10.5 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.912 0.387 . . . . 0.0 111.127 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.65 ' HB2' HD22 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -57.76 -28.21 63.75 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.342 -179.748 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.646 HD13 HD13 ' A' ' 50' ' ' LEU . 23.7 mt -50.43 -48.31 56.34 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.915 0.388 . . . . 0.0 111.3 -179.741 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -59.22 -20.03 50.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.375 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.7 mt -91.19 -48.44 13.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.796 0.332 . . . . 0.0 111.499 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.689 ' CG1' ' HB1' ' A' ' 19' ' ' ALA . 5.1 m -67.32 -40.56 85.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.391 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.622 ' HB ' ' HB3' ' A' ' 49' ' ' ALA . 38.6 p -79.77 2.2 23.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.667 -179.721 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 66.33 30.94 8.69 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.87 0.367 . . . . 0.0 110.996 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 83.22 26.38 44.28 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.699 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.622 ' HB3' ' HB ' ' A' ' 46' ' ' THR . . . -85.06 -38.57 19.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.882 0.372 . . . . 0.0 110.974 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.646 HD13 HD13 ' A' ' 42' ' ' LEU . 36.8 mt -99.03 124.07 43.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.851 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.2 tptt -79.91 121.53 25.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.954 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 13.6 t80 -93.48 127.4 39.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.693 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -130.75 117.05 18.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.801 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -71.95 -5.52 35.38 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.664 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 34.0 m-20 -47.37 -67.93 0.23 Allowed 'General case' 0 C--O 1.227 -0.115 0 CA-C-O 120.659 0.266 . . . . 0.0 111.183 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.11 -14.9 63.35 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.866 179.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.491 ' HE1' HG12 ' A' ' 33' ' ' VAL . 27.8 m-85 -99.65 24.87 7.73 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.855 0.36 . . . . 0.0 111.189 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.7 mtt85 -106.62 150.45 26.18 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.93 0.395 . . . . 0.0 110.702 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -84.84 117.99 24.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.03 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -160.03 98.41 1.32 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.086 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.311 -0.852 . . . . 0.0 111.078 -179.945 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.711 ' HG3' HD22 ' A' ' 50' ' ' LEU . 12.1 ttm . . . . . 0 N--CA 1.485 1.322 0 CA-C-O 120.817 0.342 . . . . 0.0 111.278 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.516 ' O ' HG23 ' A' ' 6' ' ' VAL . 3.1 m-85 -89.88 149.96 22.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.022 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.8 ttpm? -64.37 -36.25 83.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.3 tppt? -57.8 -42.06 83.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.996 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -63.45 -50.52 69.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.084 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 2' ' ' TYR . 2.9 t -56.07 -47.72 79.99 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.422 0 CA-C-O 120.92 0.39 . . . . 0.0 111.264 -179.773 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 80.5 mt -63.64 -35.15 71.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.164 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.34 -24.47 50.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.581 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 18.7 t60 -83.44 -25.21 31.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.732 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.457 ' CE2' ' HA ' ' A' ' 16' ' ' VAL . 3.8 m-85 -95.74 -48.64 5.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.957 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 123.45 -28.14 5.59 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.397 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.2 p -150.71 -179.08 6.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.816 0.341 . . . . 0.0 110.784 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -86.32 -53.04 5.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.823 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.75 -28.99 52.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.967 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.401 ' HA ' ' CD ' ' A' ' 18' ' ' LYS . . . -63.63 -45.36 90.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.968 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.457 ' HA ' ' CE2' ' A' ' 10' ' ' PHE . 1.0 OUTLIER -59.51 -29.36 42.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.247 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.815 ' HB1' ' O ' ' A' ' 22' ' ' ILE . . . -74.54 -24.53 58.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.547 -179.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.401 ' CD ' ' HA ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -90.3 20.75 4.22 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.573 -179.844 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 1.016 ' HB1' HG21 ' A' ' 45' ' ' VAL . . . -120.7 -42.7 2.51 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.857 0.361 . . . . 0.0 111.031 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.559 HD21 ' HG ' ' A' ' 42' ' ' LEU . 3.0 mt -93.67 -29.89 15.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 109.04 35.1 2.41 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.5 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.815 ' O ' ' HB1' ' A' ' 17' ' ' ALA . 27.3 pt -123.03 -177.97 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.828 0.347 . . . . 0.0 111.114 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.419 ' O ' HG23 ' A' ' 27' ' ' VAL . 22.4 m -99.49 176.93 5.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.939 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -69.39 -29.15 66.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.964 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.37 -48.2 76.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.13 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.93 -31.2 68.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.224 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 23' ' ' SER . 45.9 t -74.86 -44.49 45.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.097 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.07 -29.8 68.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -73.61 -19.59 60.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.451 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.556 ' CD2' HG22 ' A' ' 34' ' ' ILE . 34.8 m0 -52.72 136.53 33.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.951 0.405 . . . . 0.0 111.194 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.8 mttm -86.97 -167.06 1.75 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.599 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -49.09 -29.23 4.93 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.746 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 33.5 t -130.82 116.15 33.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.738 179.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.556 HG22 ' CD2' ' A' ' 30' ' ' TRP . 12.5 pt -52.32 160.11 1.37 Allowed Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.361 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -49.38 176.44 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.679 2.253 . . . . 0.0 112.571 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -83.23 -31.65 26.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.007 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.36 -21.86 22.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.369 -179.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -79.9 -41.43 26.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.892 0.377 . . . . 0.0 110.792 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.547 ' HB2' HG13 ' A' ' 34' ' ' ILE . . . -69.08 -25.72 64.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.971 179.672 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 92.0 t80 -68.72 -59.96 2.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.961 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.416 ' HB2' HD22 ' A' ' 20' ' ' LEU . 28.7 mtt180 -56.36 -28.87 60.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.05 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.559 ' HG ' HD21 ' A' ' 20' ' ' LEU . 11.9 mt -58.3 -46.27 86.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.005 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -53.34 -28.98 31.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.171 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.0 mt -88.2 -44.18 15.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.916 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 1.016 HG21 ' HB1' ' A' ' 19' ' ' ALA . 0.3 OUTLIER -62.89 -38.93 83.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.108 179.931 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.605 ' HB ' ' HB3' ' A' ' 49' ' ' ALA . 36.4 p -79.63 2.18 23.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.765 -179.652 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.434 ' HB3' ' O ' ' A' ' 46' ' ' THR . . . 68.71 39.62 1.96 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.954 0.407 . . . . 0.0 111.271 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 71.94 25.4 74.88 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.653 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.605 ' HB3' ' HB ' ' A' ' 46' ' ' THR . . . -74.45 -50.83 16.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.887 0.375 . . . . 0.0 111.03 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.711 HD22 ' HG3' ' A' ' 1' ' ' MET . 2.8 mt -90.9 148.12 22.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.819 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.52 123.65 47.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.938 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.498 ' CE1' ' CD2' ' A' ' 57' ' ' TYR . 14.7 t80 -80.28 130.52 35.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.028 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -126.75 106.31 9.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -59.54 -20.93 59.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.195 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 33.0 m120 -52.23 -28.1 17.32 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.163 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -97.44 -25.75 15.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.191 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.498 ' CD2' ' CE1' ' A' ' 52' ' ' TYR . 24.3 m-85 -98.41 29.51 3.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.975 -179.697 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.3 ptt180 -114.91 -34.22 5.18 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.869 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 9.5 mm-40 -83.59 -50.11 8.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.791 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -135.2 118.45 16.62 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.891 0.377 . . . . 0.0 111.54 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.976 0 CA-C-O 118.247 -0.882 . . . . 0.0 111.106 -179.908 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.6 mtm . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.774 0.321 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.553 ' O ' HG23 ' A' ' 6' ' ' VAL . 3.7 m-85 -92.79 147.12 23.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.869 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 19.6 tttm -56.98 -30.61 64.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -71.04 -41.88 70.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.956 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -61.74 -52.38 64.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.131 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 2' ' ' TYR . 3.2 t -55.06 -47.52 76.97 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.341 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 98.3 mt -64.35 -32.66 58.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.107 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.55 -27.74 51.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.491 179.776 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.401 ' O ' ' CD2' ' A' ' 9' ' ' HIS . 7.6 t60 -84.73 -26.49 27.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.812 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.73 ' CE2' HG13 ' A' ' 16' ' ' VAL . 3.5 m-85 -92.47 -49.87 5.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.965 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.467 ' O ' HG23 ' A' ' 12' ' ' THR . . . 118.01 -27.75 7.29 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.425 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.467 HG23 ' O ' ' A' ' 11' ' ' GLY . 0.9 OUTLIER -159.69 159.22 32.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.748 0.308 . . . . 0.0 110.823 179.881 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.408 ' O ' HG23 ' A' ' 16' ' ' VAL . 3.5 pt20 -66.92 -42.18 85.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.921 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.2 ttm180 -58.54 -29.52 66.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.997 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.71 -37.92 82.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.143 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.73 HG13 ' CE2' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -75.62 -34.1 28.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.872 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.752 ' HB1' ' O ' ' A' ' 22' ' ' ILE . . . -62.85 -28.78 70.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.139 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.7 -30.78 21.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.009 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.937 ' HB1' HG21 ' A' ' 45' ' ' VAL . . . -66.96 -53.46 31.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.167 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.4 mt -79.98 -32.46 39.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.935 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 105.5 27.13 5.9 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.49 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.752 ' O ' ' HB1' ' A' ' 17' ' ' ALA . 32.7 pt -114.22 -179.2 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.771 0.32 . . . . 0.0 111.119 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 72.5 m -92.25 163.46 13.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -59.35 -30.9 68.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.26 -47.35 84.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.072 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.412 ' HB3' HD12 ' A' ' 22' ' ' ILE . . . -58.68 -36.9 74.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.104 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.425 HG13 ' CZ3' ' A' ' 30' ' ' TRP . 48.3 t -70.06 -43.44 79.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.99 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.2 p -70.91 -31.39 67.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.872 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.42 -17.45 63.01 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.528 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.437 ' CD1' ' HD3' ' A' ' 35' ' ' PRO . 24.4 m0 -52.35 150.28 4.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.083 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 27.7 mtpt -110.25 -163.52 0.86 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.648 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -49.5 -27.7 4.6 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.014 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.8 t -134.65 115.26 19.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.966 179.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.728 ' CD1' HD12 ' A' ' 42' ' ' LEU . 31.3 pt -56.18 160.68 4.56 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.077 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.437 ' HD3' ' CD1' ' A' ' 30' ' ' TRP . 76.5 Cg_exo -48.54 168.74 0.1 OUTLIER 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.425 2.083 . . . . 0.0 112.599 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -72.86 -44.89 60.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.274 -179.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.16 -13.87 58.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.648 -179.62 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -79.92 -48.87 12.73 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.774 0.321 . . . . 0.0 110.844 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.515 ' HB2' HG13 ' A' ' 34' ' ' ILE . . . -62.97 -28.07 69.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.939 179.71 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 91.3 t80 -62.84 -56.09 20.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.936 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 37.2 mtt85 -62.27 -31.05 71.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.02 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.728 HD12 ' CD1' ' A' ' 34' ' ' ILE . 12.5 mt -57.23 -48.27 79.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.131 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -52.54 -29.42 25.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.384 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.8 mt -86.65 -44.88 16.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.913 0.387 . . . . 0.0 111.118 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.937 HG21 ' HB1' ' A' ' 19' ' ' ALA . 0.3 OUTLIER -62.73 -38.8 82.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.222 -179.916 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.556 ' HB ' ' HB3' ' A' ' 49' ' ' ALA . 25.4 p -79.61 3.23 19.63 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.825 -179.635 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.455 ' HB3' ' O ' ' A' ' 46' ' ' THR . . . 69.76 29.38 4.13 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.8 0.334 . . . . 0.0 111.312 179.774 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.6 22.18 54.3 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.893 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.556 ' HB3' ' HB ' ' A' ' 46' ' ' THR . . . -66.05 -63.54 1.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.856 0.36 . . . . 0.0 110.988 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.6 mt -96.31 122.49 39.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.756 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.96 145.3 32.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.944 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -73.85 153.08 40.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.012 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.411 ' O ' ' CD2' ' A' ' 57' ' ' TYR . 63.4 mt-30 -142.76 92.88 2.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -57.34 -19.8 24.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.478 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 63.7 m-80 -46.48 -75.0 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.548 -0.297 . . . . 0.0 111.556 -179.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -55.63 -28.99 58.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.882 0.372 . . . . 0.0 111.596 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.411 ' CD2' ' O ' ' A' ' 53' ' ' GLN . 24.5 m-85 -80.22 -12.76 59.6 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.617 -179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.448 HH12 ' HB2' ' A' ' 60' ' ' ALA . 1.2 tmt_? -79.54 88.87 5.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.05 0.453 . . . . 0.0 111.101 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -126.45 118.83 25.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.007 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.448 ' HB2' HH12 ' A' ' 58' ' ' ARG . . . -75.51 176.49 7.52 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.045 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.847 0 CA-C-O 118.128 -0.939 . . . . 0.0 111.045 -179.815 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.434 ' CG ' HD11 ' A' ' 34' ' ' ILE . 2.0 ptt? . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.851 0.358 . . . . 0.0 111.144 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -88.15 159.22 18.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.97 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.811 ' NZ ' HD11 ' A' ' 7' ' ' ILE . 5.2 tttm -69.51 -30.48 68.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.919 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.2 tttm -62.57 -41.03 98.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.992 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -61.43 -47.7 84.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.049 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.588 HG13 HD22 ' A' ' 42' ' ' LEU . 2.7 t -57.23 -43.35 81.7 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.425 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.307 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.811 HD11 ' NZ ' ' A' ' 3' ' ' LYS . 60.6 mt -70.96 -35.18 58.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.131 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.37 -23.3 54.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.577 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.453 ' NE2' HG22 ' A' ' 46' ' ' THR . 6.2 t60 -84.07 -28.38 27.62 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.775 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.462 ' CE2' ' HA ' ' A' ' 16' ' ' VAL . 3.6 m-85 -93.21 -48.86 6.26 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.95 -179.686 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 108.58 -28.38 11.68 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.414 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.1 p -140.15 162.3 35.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.803 0.335 . . . . 0.0 110.949 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -77.75 -52.82 8.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.844 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -51.15 -30.57 16.99 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.054 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.07 -48.18 74.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.941 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.462 ' HA ' ' CE2' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -60.22 -33.87 55.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.854 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.854 ' HB1' ' O ' ' A' ' 22' ' ' ILE . . . -77.87 -27.26 49.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.181 -179.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.5 ttmt -80.95 -28.8 35.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.047 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.92 -51.69 30.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.191 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 14.9 mt -79.95 -34.05 39.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.052 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 109.72 24.57 5.77 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.601 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.854 ' O ' ' HB1' ' A' ' 17' ' ' ALA . 28.6 pt -112.32 -177.1 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.734 0.302 . . . . 0.0 111.086 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 57.6 p -95.1 158.81 15.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.791 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -58.07 -29.96 65.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.972 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.74 -44.23 96.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.174 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.36 -44.8 92.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.093 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.461 HG13 ' CZ3' ' A' ' 30' ' ' TRP . 58.8 t -61.63 -41.34 89.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.123 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.3 p -67.42 -29.02 68.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.844 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -70.34 -21.06 62.94 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.268 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.461 ' CZ3' HG13 ' A' ' 27' ' ' VAL . 32.8 m0 -52.35 137.85 28.17 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.149 0.499 . . . . 0.0 111.279 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.5 pttt -93.32 -166.92 1.61 Allowed 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.997 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -49.18 -28.13 4.2 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-O 120.86 0.362 . . . . 0.0 111.21 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.563 HG12 ' OH ' ' A' ' 57' ' ' TYR . 14.5 t -128.42 119.93 51.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.792 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.454 HG21 HG21 ' A' ' 6' ' ' VAL . 5.5 pt -60.22 156.12 41.61 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.35 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -53.33 -179.9 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.633 2.222 . . . . 0.0 112.289 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -81.45 -52.35 7.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.841 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 42.5 mtpt -67.06 -20.11 65.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.229 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -79.55 -49.07 12.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.926 0.393 . . . . 0.0 110.075 179.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.541 ' HA ' HD12 ' A' ' 42' ' ' LEU . . . -58.72 -29.01 66.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.886 179.429 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 45.4 t80 -78.4 -53.14 7.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.953 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 56.7 mtt-85 -66.06 -21.79 66.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.259 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.588 HD22 HG13 ' A' ' 6' ' ' VAL . 14.1 mt -67.28 -30.49 70.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.283 -179.6 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -62.62 -51.17 68.35 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.873 0.368 . . . . 0.0 110.631 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.649 ' H ' HD12 ' A' ' 44' ' ' ILE . 3.6 mp -60.4 -46.87 94.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.008 -0.542 . . . . 0.0 112.244 -179.625 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.453 HG22 ' HA ' ' A' ' 42' ' ' LEU . 14.6 m -59.11 -42.49 86.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.814 0.34 . . . . 0.0 111.534 -179.349 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.776 HG21 HD12 ' A' ' 50' ' ' LEU . 40.1 p -83.43 39.06 0.64 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.845 -179.379 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 49.26 27.22 1.79 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.705 0.288 . . . . 0.0 111.668 179.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 76.8 3.26 79.42 Favored Glycine 0 CA--C 1.519 0.322 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.95 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.35 -48.65 80.35 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.889 0.376 . . . . 0.0 111.133 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.776 HD12 HG21 ' A' ' 46' ' ' THR . 29.1 mt -79.94 113.48 18.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.687 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.93 125.02 29.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.018 -179.793 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.43 ' CZ ' ' HG2' ' A' ' 54' ' ' GLU . 10.9 t80 -81.82 127.89 33.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.72 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -121.49 127.46 51.07 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.585 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.43 ' HG2' ' CZ ' ' A' ' 52' ' ' TYR . 33.2 mt-10 -88.29 24.04 2.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.611 -179.67 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.8 p-10 -60.68 -52.83 63.47 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 120.928 0.394 . . . . 0.0 110.225 179.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -96.26 14.72 23.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.455 179.013 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.563 ' OH ' HG12 ' A' ' 33' ' ' VAL . 11.4 m-85 -132.21 27.42 4.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.719 -179.634 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -98.61 177.12 5.41 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 121.002 0.429 . . . . 0.0 110.737 -179.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -115.62 10.72 15.63 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.416 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . 63.04 -81.14 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.139 0 CA-C-O 121.111 0.482 . . . . 0.0 110.935 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.236 0 CA-C-O 118.092 -0.956 . . . . 0.0 111.116 -179.713 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.48 ' HB3' HD11 ' A' ' 34' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.314 0 CA-C-O 120.818 0.342 . . . . 0.0 111.236 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.428 ' O ' HG23 ' A' ' 6' ' ' VAL . 3.3 m-85 -96.31 146.58 24.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.76 ' HE2' HD11 ' A' ' 7' ' ' ILE . 9.4 tttt -57.99 -29.45 65.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.048 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.4 ttpm? -61.92 -47.24 85.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.023 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -60.68 -51.38 69.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.91 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 2' ' ' TYR . 3.2 t -53.46 -51.67 39.58 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.354 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.76 HD11 ' HE2' ' A' ' 3' ' ' LYS . 54.1 mt -59.24 -26.96 35.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.184 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.77 -28.38 55.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.912 0.387 . . . . 0.0 110.362 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.47 ' CE1' ' HB ' ' A' ' 46' ' ' THR . 24.1 t60 -86.05 -31.46 21.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.678 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.688 ' CE2' HG13 ' A' ' 16' ' ' VAL . 42.7 m-85 -92.69 -29.45 16.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.094 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 90.56 -49.35 3.15 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.262 -179.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -132.86 140.06 47.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.842 0.353 . . . . 0.0 110.63 179.742 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -49.01 -51.89 28.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.268 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.42 -36.55 10.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.342 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.02 -51.02 71.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.923 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.688 HG13 ' CE2' ' A' ' 10' ' ' PHE . 0.6 OUTLIER -54.58 -31.68 23.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.156 179.868 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.765 ' HB1' ' O ' ' A' ' 22' ' ' ILE . . . -64.94 -26.08 68.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.359 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.0 mttm -76.12 -52.25 10.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.935 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.682 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . -59.28 -39.01 81.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.05 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.99 -30.8 19.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.012 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 86.86 28.47 26.09 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.557 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.765 ' O ' ' HB1' ' A' ' 17' ' ' ALA . 24.9 pt -111.55 -179.17 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.839 0.352 . . . . 0.0 111.066 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 28.9 t -87.06 160.56 18.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -61.52 -31.61 71.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.33 -44.12 84.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.188 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.68 -30.24 65.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.216 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.469 HG13 ' CZ3' ' A' ' 30' ' ' TRP . 27.4 t -75.48 -56.71 7.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.193 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.98 -26.62 62.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.025 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -75.19 -17.03 60.45 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-O 121.031 0.443 . . . . 0.0 111.684 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.469 ' CZ3' HG13 ' A' ' 27' ' ' VAL . 32.4 m0 -53.56 129.68 33.44 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.911 0.386 . . . . 0.0 111.065 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.8 pttt -80.12 -168.34 1.62 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.628 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -47.94 -30.73 4.48 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.093 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.488 HG11 ' HB1' ' A' ' 56' ' ' ALA . 27.6 t -128.34 116.84 43.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.043 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.587 ' CD1' ' HB2' ' A' ' 39' ' ' ALA . 10.7 pt -51.97 161.1 1.0 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.36 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.419 ' HD3' ' CD1' ' A' ' 30' ' ' TRP . 52.1 Cg_exo -53.14 164.1 1.93 Allowed 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.623 2.215 . . . . 0.0 112.538 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.457 ' HG2' ' OH ' ' A' ' 52' ' ' TYR . 1.1 tm-20 -72.68 -35.84 67.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.096 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.2 mmtp -87.75 -19.33 27.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.53 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -79.86 -43.93 21.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.825 0.345 . . . . 0.0 110.668 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.587 ' HB2' ' CD1' ' A' ' 34' ' ' ILE . . . -64.97 -26.65 68.39 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.937 179.706 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -72.0 -37.19 69.86 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.973 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.4 ' O ' HG22 ' A' ' 45' ' ' VAL . 27.3 mtp180 -78.0 -29.0 49.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.031 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.598 ' O ' HG23 ' A' ' 46' ' ' THR . 53.8 mt -66.2 -32.6 74.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.173 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -66.96 -22.63 65.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.314 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.8 mt -88.56 -51.98 11.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.825 0.345 . . . . 0.0 111.319 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.682 HG11 ' HB1' ' A' ' 19' ' ' ALA . 6.4 m -59.91 -39.5 80.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.458 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.598 HG23 ' O ' ' A' ' 42' ' ' LEU . 30.7 p -79.75 12.78 2.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.011 -0.54 . . . . 0.0 112.121 -179.375 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 61.32 30.71 19.22 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.819 0.342 . . . . 0.0 111.122 179.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 72.76 22.28 79.15 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.696 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.34 -32.41 70.06 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.89 0.376 . . . . 0.0 110.819 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.5 mt -116.95 126.42 52.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.588 179.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 7.8 tttt -79.92 113.11 17.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.038 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.502 ' CZ ' ' CD2' ' A' ' 57' ' ' TYR . 14.4 t80 -61.15 118.57 6.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -106.25 112.53 25.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.973 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -62.04 -17.89 58.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.353 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 18.6 m-20 -48.92 -38.32 22.48 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 120.815 0.341 . . . . 0.0 111.131 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.488 ' HB1' HG11 ' A' ' 33' ' ' VAL . . . -98.23 17.64 18.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.3 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.502 ' CD2' ' CZ ' ' A' ' 52' ' ' TYR . 28.3 m-85 -146.45 29.59 1.04 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.05 0.453 . . . . 0.0 110.913 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.42 157.2 23.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.935 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.52 -178.12 4.85 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.339 0.59 . . . . 0.0 110.684 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.27 -62.59 1.33 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.214 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.324 -0.846 . . . . 0.0 111.033 179.973 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.658 ' HG2' HD13 ' A' ' 50' ' ' LEU . 1.4 mtm . . . . . 0 N--CA 1.485 1.3 0 CA-C-O 120.851 0.358 . . . . 0.0 111.151 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.559 ' O ' HG23 ' A' ' 6' ' ' VAL . 3.3 m-85 -93.46 143.7 26.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 18.5 tttt -58.22 -44.22 88.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.955 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.96 -35.74 35.11 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.222 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 -75.18 -53.37 8.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.817 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.559 HG23 ' O ' ' A' ' 2' ' ' TYR . 3.6 t -53.74 -49.61 56.42 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.171 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.434 HD12 ' OE1' ' A' ' 13' ' ' GLN . 40.0 mm -59.12 -33.08 49.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.083 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.2 -24.98 54.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.664 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.413 ' CE1' ' HB ' ' A' ' 46' ' ' THR . 11.2 t60 -82.65 -31.53 28.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.331 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.54 ' CE2' HG13 ' A' ' 16' ' ' VAL . 37.9 m-85 -94.36 -30.29 14.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.254 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 92.03 -48.72 2.73 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.715 -0.755 . . . . 0.0 111.998 -179.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.4 p -124.09 -179.36 4.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.821 0.343 . . . . 0.0 110.44 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.434 ' OE1' HD12 ' A' ' 7' ' ' ILE . 3.9 mm100 -86.9 -55.66 3.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.929 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -48.63 -29.78 4.71 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.217 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.76 -52.01 62.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.995 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.54 HG13 ' CE2' ' A' ' 10' ' ' PHE . 1.3 t -54.81 -45.59 74.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.089 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.88 ' HB1' ' O ' ' A' ' 22' ' ' ILE . . . -66.66 -30.95 71.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.077 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.18 -30.36 69.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.943 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.436 ' O ' HG11 ' A' ' 45' ' ' VAL . . . -89.72 -38.63 13.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.154 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.01 -27.91 39.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.989 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 99.35 -11.33 61.65 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.742 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.88 ' O ' ' HB1' ' A' ' 17' ' ' ALA . 41.5 pt -79.87 -179.23 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.796 0.331 . . . . 0.0 111.249 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.6 m -95.53 164.36 12.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.978 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -60.19 -31.1 69.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.963 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.39 -47.66 84.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.128 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.79 -39.48 85.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.06 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.472 HG22 HD11 ' A' ' 22' ' ' ILE . 45.1 t -70.13 -44.54 78.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.162 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 35.4 t -67.85 -30.64 70.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.946 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -75.18 -12.14 60.23 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.551 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.729 ' CD2' HG22 ' A' ' 34' ' ' ILE . 29.5 m0 -55.17 170.98 0.17 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.87 0.367 . . . . 0.0 110.983 -179.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.7 mmmp? -134.22 -163.8 1.42 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.384 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -47.99 -28.91 3.02 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.091 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 26.6 t -134.96 112.46 14.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.106 179.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.729 HG22 ' CD2' ' A' ' 30' ' ' TRP . 8.6 pt -56.3 152.81 21.72 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.108 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.457 ' HG2' ' HB2' ' A' ' 38' ' ' ASP . 3.4 Cg_endo -49.27 179.56 0.02 OUTLIER 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.527 2.151 . . . . 0.0 112.049 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -76.57 -65.74 0.9 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.26 -0.427 . . . . 0.0 112.03 -179.154 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.7 pttm -54.31 -24.38 18.93 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 -178.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.457 ' HB2' ' HG2' ' A' ' 35' ' ' PRO . 55.8 m-20 -79.67 -49.66 11.79 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.934 0.397 . . . . 0.0 110.197 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.429 ' HA ' HD12 ' A' ' 34' ' ' ILE . . . -59.75 -26.32 65.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.813 179.307 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 91.6 t80 -73.72 -57.07 4.24 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.864 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.6 mtp85 -64.01 -29.69 70.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.079 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.54 HD12 ' CD1' ' A' ' 34' ' ' ILE . 6.1 mt -57.95 -38.1 75.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.087 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -63.33 -17.29 62.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.318 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.8 mt -91.1 -49.86 13.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.774 0.321 . . . . 0.0 111.481 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.436 HG11 ' O ' ' A' ' 19' ' ' ALA . 2.4 m -61.03 -37.62 77.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.287 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.418 ' HB ' ' HB3' ' A' ' 49' ' ' ALA . 77.2 p -79.93 4.42 16.86 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.699 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.413 ' HB3' ' O ' ' A' ' 46' ' ' THR . . . 67.3 32.02 6.19 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 120.844 0.354 . . . . 0.0 110.854 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 78.63 24.93 61.64 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.511 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.418 ' HB3' ' HB ' ' A' ' 46' ' ' THR . . . -60.1 -54.71 42.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.86 0.362 . . . . 0.0 110.998 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.658 HD13 ' HG2' ' A' ' 1' ' ' MET . 5.6 mt -90.65 163.11 14.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.792 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.8 ttmt -116.78 110.88 18.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.954 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.531 ' CZ ' ' CD2' ' A' ' 57' ' ' TYR . 20.9 t80 -61.17 137.05 58.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.963 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -128.38 109.78 11.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.04 -33.17 50.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.238 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.26 -22.87 32.64 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.863 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.409 ' O ' ' CD1' ' A' ' 57' ' ' TYR . . . -102.29 16.4 26.3 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.68 0.276 . . . . 0.0 111.518 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.531 ' CD2' ' CZ ' ' A' ' 52' ' ' TYR . 29.4 m-85 -153.07 28.74 0.51 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.945 0.402 . . . . 0.0 110.863 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.1 tpt180 -126.3 92.65 3.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.122 179.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -157.55 160.51 38.25 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.871 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -104.07 174.44 5.87 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.066 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.298 -0.858 . . . . 0.0 110.934 -179.9 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.319 0 CA-C-O 120.797 0.332 . . . . 0.0 111.246 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -88.93 145.5 25.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.834 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.33 -32.63 68.7 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.022 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.9 tptm -64.6 -30.47 71.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.926 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -73.35 -47.81 39.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.94 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.562 HG21 HG21 ' A' ' 34' ' ' ILE . 2.9 t -56.79 -46.55 83.38 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.424 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.084 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 81.9 mt -63.7 -37.35 79.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.118 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.64 -23.66 56.33 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.373 179.583 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.47 ' NE2' HG22 ' A' ' 46' ' ' THR . 5.6 t60 -82.75 -27.48 31.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.575 179.702 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.454 ' CE2' ' HA ' ' A' ' 16' ' ' VAL . 3.2 m-85 -96.04 -47.65 6.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.974 -179.732 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 115.34 -30.41 6.75 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.441 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 72.9 p -143.21 179.78 6.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.865 0.364 . . . . 0.0 110.816 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 -89.98 -53.03 4.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.006 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 38.2 ttt180 -51.66 -30.33 21.33 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.233 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.16 -47.82 78.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.946 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.454 ' HA ' ' CE2' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -61.45 -36.87 75.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.967 -179.935 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.853 ' HB1' ' O ' ' A' ' 22' ' ' ILE . . . -69.43 -32.11 70.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.11 -29.1 54.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.966 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 1.004 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . -68.94 -52.81 25.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.289 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.549 HD13 ' OD1' ' A' ' 38' ' ' ASP . 2.9 mt -79.89 -33.12 40.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.036 -179.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 107.89 26.64 5.46 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.513 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.853 ' O ' ' HB1' ' A' ' 17' ' ' ALA . 41.1 pt -113.54 -178.62 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.793 0.33 . . . . 0.0 111.083 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.3 m -93.97 164.13 13.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.856 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 19.6 p-10 -59.46 -31.68 69.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.49 -40.63 97.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.089 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.558 ' HB3' HD12 ' A' ' 22' ' ' ILE . . . -61.89 -37.37 84.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.019 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.474 HG13 ' CZ3' ' A' ' 30' ' ' TRP . 33.8 t -67.04 -51.88 49.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.135 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.8 t -66.23 -32.16 73.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.955 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -65.09 -22.71 66.99 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.305 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.474 ' CZ3' HG13 ' A' ' 27' ' ' VAL . 47.6 m0 -54.35 163.09 0.92 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.173 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.54 -163.5 0.86 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.951 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -49.86 -33.8 18.08 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.826 0.346 . . . . 0.0 110.989 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 24.5 t -123.06 122.32 65.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.786 0.327 . . . . 0.0 110.97 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.603 HD12 ' HA ' ' A' ' 39' ' ' ALA . 12.6 pt -54.98 151.49 16.0 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.278 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -50.62 156.88 3.92 Favored 'Trans proline' 0 C--N 1.343 0.266 0 C-N-CA 122.727 2.285 . . . . 0.0 112.37 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -65.86 -28.92 69.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.277 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 47.6 mttt -89.99 -24.87 21.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.592 -179.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.549 ' OD1' HD13 ' A' ' 20' ' ' LEU . 4.3 m-20 -79.77 -37.2 35.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.847 0.355 . . . . 0.0 110.735 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.603 ' HA ' HD12 ' A' ' 34' ' ' ILE . . . -68.28 -25.53 65.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.517 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -70.41 -56.71 5.98 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.934 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.72 -28.95 67.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.112 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.603 HD12 ' HA ' ' A' ' 39' ' ' ALA . 12.8 mt -56.06 -39.86 72.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.081 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -58.85 -20.36 50.11 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.412 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.8 mt -88.93 -50.79 13.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.86 0.362 . . . . 0.0 111.439 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 1.004 HG11 ' HB1' ' A' ' 19' ' ' ALA . 2.7 m -63.3 -37.53 79.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.628 -179.605 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.47 HG22 ' NE2' ' A' ' 9' ' ' HIS . 76.8 p -81.53 11.58 4.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.984 -179.448 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 62.9 28.53 16.39 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.832 0.348 . . . . 0.0 111.27 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 77.32 20.75 74.48 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.811 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.15 -43.93 66.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.901 0.381 . . . . 0.0 110.904 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.431 HD12 HG21 ' A' ' 46' ' ' THR . 58.5 mt -91.87 113.36 25.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.704 179.652 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.96 125.64 30.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.982 -179.784 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.427 ' CE1' ' CD2' ' A' ' 57' ' ' TYR . 9.6 t80 -78.13 136.02 37.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.803 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.6 mp0 -127.7 102.63 6.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.887 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -55.21 -25.9 35.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.11 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -57.43 -29.14 63.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.857 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -100.17 16.72 23.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.427 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.427 ' CD2' ' CE1' ' A' ' 52' ' ' TYR . 71.4 m-85 -142.07 23.11 2.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.811 -179.626 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.43 -170.49 1.68 Allowed 'General case' 0 N--CA 1.454 -0.226 0 CA-C-O 120.873 0.368 . . . . 0.0 110.645 -179.577 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -110.64 -32.53 6.85 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.82 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -100.71 -70.97 0.72 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.961 -179.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.261 0 CA-C-O 118.607 -0.711 . . . . 0.0 111.052 179.946 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.4 ttm . . . . . 0 N--CA 1.488 1.425 0 CA-C-O 120.893 0.378 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.641 ' O ' HG23 ' A' ' 6' ' ' VAL . 2.4 m-85 -82.47 154.47 25.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.919 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.677 ' HE2' HD11 ' A' ' 7' ' ' ILE . 10.1 tttt -71.16 -30.82 66.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.953 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.3 ttpm? -64.48 -36.87 85.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.13 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.42 -50.08 49.19 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.096 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.641 HG23 ' O ' ' A' ' 2' ' ' TYR . 2.9 t -56.05 -49.47 75.45 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.346 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.677 HD11 ' HE2' ' A' ' 3' ' ' LYS . 52.1 mt -61.93 -29.13 45.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.13 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.41 -25.24 54.3 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.879 0.371 . . . . 0.0 110.557 179.796 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.555 ' NE2' HG22 ' A' ' 46' ' ' THR . 16.3 t60 -84.86 -33.78 22.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.521 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.549 ' CE2' HG13 ' A' ' 16' ' ' VAL . 28.5 m-85 -88.9 -41.83 12.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.192 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.68 -29.03 10.35 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.265 -179.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -146.93 136.47 22.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.73 0.3 . . . . 0.0 110.595 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -51.06 -49.78 59.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.239 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -45.95 -42.32 12.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.449 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.84 -49.38 77.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.082 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.549 HG13 ' CE2' ' A' ' 10' ' ' PHE . 0.8 OUTLIER -58.45 -49.32 82.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.109 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.531 ' HB1' ' O ' ' A' ' 22' ' ' ILE . . . -60.13 -31.01 69.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.043 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.4 mmtt -74.82 -34.89 62.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.65 -41.74 65.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.108 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.7 HD21 ' HG ' ' A' ' 42' ' ' LEU . 53.9 mt -82.8 -31.07 28.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.035 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 106.71 -7.75 39.24 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.785 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.531 ' O ' ' HB1' ' A' ' 17' ' ' ALA . 43.5 pt -79.99 -178.89 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.737 0.303 . . . . 0.0 111.094 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.4 m -85.43 153.83 22.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.842 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -60.34 -31.34 70.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.902 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.85 -40.0 91.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.952 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.13 -31.76 69.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.945 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.442 ' CG2' ' HB2' ' A' ' 17' ' ' ALA . 48.5 t -69.1 -42.74 81.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.986 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.87 -28.99 64.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.881 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -74.4 -14.71 60.9 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.293 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.46 ' CD2' HG22 ' A' ' 34' ' ' ILE . 16.7 m0 -52.7 169.27 0.09 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.771 0.319 . . . . 0.0 111.151 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.71 -164.27 1.35 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.826 -179.772 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -49.48 -28.31 5.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.647 0.26 . . . . 0.0 111.173 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 23.5 t -135.27 119.01 24.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.981 179.565 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.824 HD12 HD12 ' A' ' 42' ' ' LEU . 29.9 pt -61.89 158.78 40.86 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.251 -179.76 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -50.96 157.67 3.7 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.553 2.169 . . . . 0.0 112.613 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.424 ' HG2' ' HB3' ' A' ' 57' ' ' TYR . 0.5 OUTLIER -59.72 -49.7 76.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.373 -179.808 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.23 -15.66 60.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.684 -179.45 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -79.77 -48.23 13.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.908 0.385 . . . . 0.0 110.877 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.578 ' HB2' HG13 ' A' ' 34' ' ' ILE . . . -64.44 -24.27 67.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.031 179.754 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -66.48 -70.29 0.25 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.001 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.2 mtp85 -58.44 -28.31 65.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.15 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.824 HD12 HD12 ' A' ' 34' ' ' ILE . 7.6 mt -58.96 -34.76 72.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.119 -179.774 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -71.18 -29.53 65.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.993 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.9 mt -78.87 -45.53 24.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.246 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.495 HG23 HG23 ' A' ' 46' ' ' THR . 12.4 m -57.48 -41.1 78.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.334 -179.821 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.555 HG22 ' NE2' ' A' ' 9' ' ' HIS . 60.7 p -83.16 32.6 0.44 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.996 -0.547 . . . . 0.0 112.09 -179.411 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 46.97 38.04 5.74 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.736 0.303 . . . . 0.0 111.566 179.58 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 66.56 23.07 71.95 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.539 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.42 -33.61 72.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.932 0.396 . . . . 0.0 110.942 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -106.27 -176.6 3.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.709 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.94 118.72 14.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.93 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 30.0 t80 -60.83 145.58 49.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.833 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.41 ' O ' ' CD2' ' A' ' 57' ' ' TYR . 51.2 mt-30 -131.66 88.86 2.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.008 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 22.1 pt-20 -58.79 -20.22 47.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.224 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -52.06 -48.9 64.39 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.399 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -86.2 5.73 32.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.631 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.424 ' HB3' ' HG2' ' A' ' 36' ' ' GLU . 44.5 m-85 -115.89 -17.06 11.08 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.707 0.289 . . . . 0.0 111.361 -179.778 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.1 ptt180 -79.96 110.68 15.57 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.825 0.345 . . . . 0.0 110.82 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -145.02 130.93 19.17 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.694 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -136.18 86.4 2.22 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.871 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.895 0 CA-C-O 118.58 -0.724 . . . . 0.0 110.931 -179.955 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.53 ' HB3' HD11 ' A' ' 34' ' ' ILE . 2.5 mtm . . . . . 0 N--CA 1.487 1.407 0 CA-C-O 120.79 0.328 . . . . 0.0 111.095 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -88.89 146.47 24.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.945 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 47.2 tttt -57.93 -44.25 86.78 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.059 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.3 ttmm -51.5 -41.63 61.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.264 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -61.91 -52.78 62.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.01 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.8 t -56.97 -39.23 64.31 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.267 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.484 HD13 HG21 ' A' ' 16' ' ' VAL . 41.0 mm -71.55 -36.33 59.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.134 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.99 -24.88 55.36 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.404 179.806 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.802 ' NE2' HG22 ' A' ' 46' ' ' THR . 5.9 t60 -82.85 -27.39 30.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.7 179.743 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.45 ' CE2' ' HA ' ' A' ' 16' ' ' VAL . 2.8 m-85 -95.67 -42.73 8.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.028 -179.66 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 109.08 -30.11 8.99 Favored Glycine 0 N--CA 1.453 -0.205 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.464 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 18.9 p -142.19 171.58 13.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.762 0.315 . . . . 0.0 110.916 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -84.38 -51.74 6.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.834 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -53.27 -29.21 31.79 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.08 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.73 -46.53 81.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.046 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.484 HG21 HD13 ' A' ' 7' ' ' ILE . 0.4 OUTLIER -59.07 -31.96 46.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.958 -179.939 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.861 ' HB1' ' O ' ' A' ' 22' ' ' ILE . . . -73.3 -26.86 61.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.197 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.6 ttmt -74.5 -38.12 62.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.033 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.926 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . -65.28 -49.74 68.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.162 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.416 HD13 ' OD1' ' A' ' 38' ' ' ASP . 10.5 mt -79.97 -27.22 39.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.068 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 95.28 26.11 12.87 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.469 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.861 ' O ' ' HB1' ' A' ' 17' ' ' ALA . 26.7 pt -110.87 -177.88 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.739 0.304 . . . . 0.0 111.015 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.2 m -94.34 163.69 13.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.782 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -59.27 -31.16 68.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.927 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.01 -46.29 88.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.099 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.483 ' HB3' HD12 ' A' ' 22' ' ' ILE . . . -59.11 -35.98 74.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.157 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.4 HG13 ' CZ3' ' A' ' 30' ' ' TRP . 44.8 t -72.76 -45.13 57.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.032 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 40.5 t -68.01 -29.6 68.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.986 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -76.02 -17.67 59.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.004 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.404 ' CD1' ' O ' ' A' ' 26' ' ' ALA . 32.5 m0 -52.79 150.29 5.45 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.909 0.385 . . . . 0.0 111.149 -179.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.39 -169.81 1.65 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.315 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -47.65 -29.1 2.73 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.017 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 32.5 t -128.44 116.34 41.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.805 179.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.53 HD11 ' HB3' ' A' ' 1' ' ' MET . 11.0 pt -53.85 160.99 1.86 Allowed Pre-proline 0 C--N 1.331 -0.223 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.391 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -53.89 165.76 1.76 Allowed 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.655 2.237 . . . . 0.0 112.489 -179.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -71.43 -33.0 69.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.37 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.9 mttm -90.02 -20.21 23.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.796 -179.402 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.416 ' OD1' HD13 ' A' ' 20' ' ' LEU . 5.8 m-20 -79.73 -40.87 27.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.837 0.351 . . . . 0.0 110.636 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.525 ' HA ' HD12 ' A' ' 34' ' ' ILE . . . -64.32 -25.72 68.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.974 179.666 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -67.37 -70.42 0.25 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.038 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 19.0 mtp180 -54.92 -27.44 43.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.261 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.497 HD12 HD12 ' A' ' 34' ' ' ILE . 7.8 mt -59.56 -34.42 72.67 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.965 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -68.84 -21.93 64.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.297 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.7 mt -85.98 -49.64 15.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.309 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.926 HG11 ' HB1' ' A' ' 19' ' ' ALA . 2.4 m -57.55 -36.81 55.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.427 -179.82 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.802 HG22 ' NE2' ' A' ' 9' ' ' HIS . 17.5 p -81.95 9.53 8.1 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.814 -179.547 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 65.28 32.84 9.61 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.803 0.335 . . . . 0.0 111.119 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 76.97 27.66 60.01 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.612 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.604 ' HB3' ' HB ' ' A' ' 46' ' ' THR . . . -74.76 -50.47 17.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.833 0.349 . . . . 0.0 110.994 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.9 mt -93.2 115.64 28.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.806 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.0 124.7 28.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.981 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.505 ' CE1' ' CD2' ' A' ' 57' ' ' TYR . 16.9 t80 -66.25 149.92 49.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.786 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.434 ' O ' ' CD2' ' A' ' 57' ' ' TYR . 45.6 mt-30 -144.78 108.88 4.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.884 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.16 -15.31 45.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.608 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -45.68 -52.61 10.58 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.706 0.289 . . . . 0.0 111.551 -179.695 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -78.28 -24.28 46.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.984 0.421 . . . . 0.0 111.421 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.505 ' CD2' ' CE1' ' A' ' 52' ' ' TYR . 2.3 m-85 -105.34 38.36 1.98 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.819 -179.612 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -104.41 -38.34 6.86 Favored 'General case' 0 CA--C 1.522 -0.103 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.118 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -113.25 -36.7 4.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.149 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.59 163.33 9.13 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.118 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.184 -0.912 . . . . 0.0 111.002 -179.823 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.65 ' SD ' HD13 ' A' ' 50' ' ' LEU . 2.7 ptp . . . . . 0 N--CA 1.487 1.407 0 CA-C-O 120.865 0.364 . . . . 0.0 111.204 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -83.66 136.61 34.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.934 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.3 tttp -57.66 -28.25 63.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.116 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.5 tptm -60.63 -49.83 75.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.064 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.665 ' OD2' HD21 ' A' ' 50' ' ' LEU . 0.6 OUTLIER -58.86 -47.1 86.1 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.0 -179.858 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.0 t -55.52 -55.14 18.76 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.438 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.293 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 63.9 mt -59.15 -31.84 46.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.061 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.9 -24.51 52.52 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.492 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 31.7 t60 -84.46 -32.03 24.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.592 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.559 ' CE2' HG13 ' A' ' 16' ' ' VAL . 36.5 m-85 -92.54 -35.76 13.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.031 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 92.57 -46.33 2.55 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.202 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 60.1 p -130.0 147.6 51.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.778 0.323 . . . . 0.0 110.725 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -58.21 -55.39 35.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.96 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.5 tpt180 -45.52 -32.41 2.23 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.285 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.27 -54.63 37.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.833 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.559 HG13 ' CE2' ' A' ' 10' ' ' PHE . 1.1 t -57.46 -39.95 71.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.111 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.698 ' HB1' ' O ' ' A' ' 22' ' ' ILE . . . -68.43 -30.89 69.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.174 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.7 tttp -79.5 -37.11 37.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.988 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.51 -41.79 60.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.189 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.403 HD22 ' HB2' ' A' ' 41' ' ' ARG . 55.8 mt -80.05 -33.81 38.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.993 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 100.67 27.24 7.64 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.499 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.698 ' O ' ' HB1' ' A' ' 17' ' ' ALA . 36.2 pt -116.93 -179.25 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.841 0.353 . . . . 0.0 111.072 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 29.4 t -89.57 160.67 16.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.914 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -60.37 -31.7 70.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.851 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.76 -42.73 90.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.111 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.405 ' O ' ' CD1' ' A' ' 30' ' ' TRP . . . -59.43 -31.0 68.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.08 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 41.9 t -75.6 -46.88 35.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.152 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.86 -37.94 85.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.957 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -60.27 -20.04 57.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.106 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.419 ' CE3' HG22 ' A' ' 34' ' ' ILE . 42.6 m0 -53.05 157.54 1.74 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.867 0.365 . . . . 0.0 111.378 -179.783 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.2 pttt -119.32 -163.25 0.96 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.814 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -46.7 -36.65 7.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.694 0.283 . . . . 0.0 111.175 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 24.2 t -122.91 117.33 51.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.841 0.353 . . . . 0.0 110.929 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.526 HD12 ' HA ' ' A' ' 39' ' ' ALA . 8.6 pt -55.42 159.22 4.78 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.3 -179.79 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -53.1 157.7 7.99 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.661 2.241 . . . . 0.0 112.4 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.439 ' HG3' ' CD1' ' A' ' 57' ' ' TYR . 6.1 tt0 -68.23 -32.84 73.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.463 -179.649 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.4 pttt -89.95 -22.78 21.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.778 -179.315 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 -79.89 -40.49 28.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.852 0.358 . . . . 0.0 110.602 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.577 ' HA ' HD12 ' A' ' 42' ' ' LEU . . . -64.93 -27.88 69.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.833 179.604 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -67.73 -57.39 6.43 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.918 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.403 ' HB2' HD22 ' A' ' 20' ' ' LEU . 0.8 OUTLIER -62.36 -29.55 70.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.994 -179.838 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.577 HD12 ' HA ' ' A' ' 39' ' ' ALA . 18.3 mt -57.19 -51.03 70.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.087 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.84 -47.17 64.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.175 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.8 mt -71.11 -44.68 74.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.329 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.72 -37.38 75.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.42 -179.758 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 31.4 p -88.26 37.78 0.83 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.757 -179.459 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 46.89 28.83 0.9 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.732 0.301 . . . . 0.0 111.694 179.581 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 70.41 31.59 68.43 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.517 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.79 -45.3 71.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.798 0.332 . . . . 0.0 111.116 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.665 HD21 ' OD2' ' A' ' 5' ' ' ASP . 2.0 mt -94.36 176.44 6.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.792 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.3 ptmt -126.33 125.75 42.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.958 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.467 ' CE1' ' CD2' ' A' ' 57' ' ' TYR . 7.3 t80 -83.98 115.45 22.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.97 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -108.75 138.32 45.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.62 179.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -90.1 44.69 1.22 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.905 0.383 . . . . 0.0 111.244 -179.692 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 69.5 m-20 -90.28 -74.79 0.48 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.564 179.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.93 -13.96 62.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.171 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.467 ' CD2' ' CE1' ' A' ' 52' ' ' TYR . 21.9 m-85 -89.17 12.33 16.15 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.345 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.31 95.22 4.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.085 0.469 . . . . 0.0 111.042 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -89.01 60.33 5.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.693 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -102.84 31.8 3.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.101 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.121 0 CA-C-O 118.28 -0.867 . . . . 0.0 111.056 179.954 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.824 0.345 . . . . 0.0 111.185 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -88.96 144.96 25.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.004 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.508 ' HG2' HD13 ' A' ' 7' ' ' ILE . 6.1 tttm -61.69 -42.76 99.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.044 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 17.3 tttm -53.53 -25.58 17.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.325 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -76.16 -47.71 23.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.096 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.407 HG23 ' H ' ' A' ' 6' ' ' VAL . 2.9 t -54.94 -56.74 9.33 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.398 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.371 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.508 HD13 ' HG2' ' A' ' 3' ' ' LYS . 3.0 mp -59.92 -24.93 31.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.963 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.5 -28.25 56.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.012 0.434 . . . . 0.0 110.147 179.551 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.52 ' CD2' HG22 ' A' ' 46' ' ' THR . 3.3 t60 -90.08 -29.47 18.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.453 179.674 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.446 ' CE2' ' HA ' ' A' ' 16' ' ' VAL . 2.5 m-85 -91.84 -46.3 7.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.1 -179.528 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 106.86 -40.4 2.52 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.505 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 13.2 p -126.5 175.55 7.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.821 0.344 . . . . 0.0 110.96 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -88.05 -50.6 6.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.88 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.8 ttt180 -54.42 -30.36 52.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.946 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.02 -45.78 92.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.844 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.512 ' O ' HD12 ' A' ' 20' ' ' LEU . 0.5 OUTLIER -60.49 -39.46 81.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.778 ' HB1' ' O ' ' A' ' 22' ' ' ILE . . . -65.2 -28.5 69.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.096 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.0 mmtt -90.11 16.46 8.4 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.455 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.823 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . -111.47 -42.21 3.93 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.875 0.369 . . . . 0.0 111.094 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.824 HD23 ' HB2' ' A' ' 41' ' ' ARG . 0.9 OUTLIER -97.75 -30.13 12.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.939 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 113.0 28.11 3.49 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.462 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.778 ' O ' ' HB1' ' A' ' 17' ' ' ALA . 32.8 pt -114.53 -178.92 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.794 0.331 . . . . 0.0 111.163 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.1 p -97.33 165.15 12.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.992 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -59.91 -30.94 69.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.944 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.02 -46.36 91.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.105 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.21 -37.17 76.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.146 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 61.7 t -70.76 -38.86 74.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.026 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 18.7 m -69.19 -28.9 66.8 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.967 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -78.67 -17.06 56.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.388 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.585 ' CD2' HG22 ' A' ' 34' ' ' ILE . 26.4 m0 -52.91 125.11 15.99 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.833 0.349 . . . . 0.0 111.119 -179.799 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.6 pttm -87.99 -163.92 1.03 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.929 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -49.37 -27.76 4.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.684 0.278 . . . . 0.0 111.168 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.6 t -131.36 120.37 45.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.109 0.48 . . . . 0.0 111.132 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.634 HG13 ' HB2' ' A' ' 39' ' ' ALA . 20.3 pt -70.78 159.8 84.1 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.187 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -49.24 158.34 1.56 Allowed 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.701 2.268 . . . . 0.0 112.633 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -68.76 -28.95 67.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.138 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.83 -22.56 22.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.506 -179.585 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.464 ' HA ' HD22 ' A' ' 20' ' ' LEU . 23.1 m-20 -79.79 -44.59 20.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.825 0.345 . . . . 0.0 110.559 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.634 ' HB2' HG13 ' A' ' 34' ' ' ILE . . . -65.55 -24.61 67.14 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.833 179.552 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -66.8 -58.73 4.47 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.918 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.824 ' HB2' HD23 ' A' ' 20' ' ' LEU . 17.9 mtm180 -57.61 -37.42 73.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.948 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.591 HD12 ' CD1' ' A' ' 34' ' ' ILE . 19.5 mt -53.85 -52.19 61.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.062 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 50.9 tt0 -50.03 -30.13 10.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.183 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.0 mt -88.94 -44.43 15.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.95 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.823 HG11 ' HB1' ' A' ' 19' ' ' ALA . 22.9 t -65.22 -21.16 28.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.604 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.52 HG22 ' CD2' ' A' ' 9' ' ' HIS . 14.7 p -92.36 23.8 3.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.278 -179.679 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 56.45 31.04 18.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.843 0.354 . . . . 0.0 111.082 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 71.05 25.76 75.12 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.528 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -73.12 -54.2 9.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.816 0.341 . . . . 0.0 110.998 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 62.7 mt -80.08 165.39 22.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.821 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.2 tptt -123.32 120.19 32.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.943 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.508 ' CE1' ' CD2' ' A' ' 57' ' ' TYR . 5.3 t80 -78.7 121.97 25.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.021 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -112.48 128.56 56.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.712 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -90.12 37.42 0.89 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.324 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -90.18 -32.17 16.73 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 120.897 0.379 . . . . 0.0 110.579 179.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -102.4 -23.84 13.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.177 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.508 ' CD2' ' CE1' ' A' ' 52' ' ' TYR . 11.3 m-85 -94.06 18.88 9.91 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.227 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.2 45.92 1.01 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.771 0.319 . . . . 0.0 111.002 179.559 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -124.73 32.12 5.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.034 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -145.39 33.1 1.07 Allowed 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.04 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.892 0 CA-C-O 118.127 -0.939 . . . . 0.0 111.338 179.614 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.743 ' HG3' ' HB1' ' A' ' 39' ' ' ALA . 4.1 mmt . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.789 0.328 . . . . 0.0 111.202 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -73.5 125.59 28.29 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.734 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.521 ' HE3' HD11 ' A' ' 7' ' ' ILE . 19.8 ttpt -52.95 -28.19 22.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.099 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.0 tttp -57.32 -44.77 84.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.869 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -70.07 -45.18 67.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.721 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.614 HG12 ' CD2' ' A' ' 10' ' ' PHE . 2.8 t -57.15 -52.88 50.68 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.473 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.02 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.521 HD11 ' HE3' ' A' ' 3' ' ' LYS . 64.7 mt -55.98 -29.39 26.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.083 179.789 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.92 -29.41 50.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.31 179.705 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -84.08 -31.6 25.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.369 179.598 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.733 ' CD2' HG13 ' A' ' 16' ' ' VAL . 37.9 m-85 -90.64 -28.96 18.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.985 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 92.98 -45.28 2.48 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.415 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -145.46 -177.64 5.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.812 0.339 . . . . 0.0 110.707 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.401 ' O ' HG23 ' A' ' 16' ' ' VAL . 82.8 mt-30 -75.22 -43.32 52.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.84 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.07 -38.19 70.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.072 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.535 ' HB3' ' HB3' ' A' ' 10' ' ' PHE . . . -59.48 -39.03 82.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.085 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.733 HG13 ' CD2' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -77.86 -42.13 28.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.948 179.812 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.806 ' HB1' ' O ' ' A' ' 22' ' ' ILE . . . -55.07 -36.27 65.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.314 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.0 pttt -77.21 -26.59 52.89 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.984 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.801 ' HB1' HG21 ' A' ' 45' ' ' VAL . . . -68.96 -59.17 3.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.282 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.575 HD22 ' HB2' ' A' ' 41' ' ' ARG . 11.3 mt -79.81 -23.96 41.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.207 -179.809 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 97.06 28.29 8.78 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.608 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.806 ' O ' ' HB1' ' A' ' 17' ' ' ALA . 31.3 pt -111.22 -179.97 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.78 0.324 . . . . 0.0 111.098 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 73.8 m -95.8 168.61 10.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.792 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -58.31 -30.52 66.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.964 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.43 -44.61 90.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.015 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.576 ' HB3' HD12 ' A' ' 22' ' ' ILE . . . -57.9 -46.3 85.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.113 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 58.6 t -68.55 -37.01 77.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.997 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 23.0 t -72.87 -34.7 66.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -68.28 -18.58 64.57 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.146 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.434 ' CE3' HG22 ' A' ' 34' ' ' ILE . 27.1 m0 -53.17 -178.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.929 0.395 . . . . 0.0 111.236 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 29.1 mttm -147.56 -162.95 1.65 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.773 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -49.93 -26.67 4.37 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.189 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.654 HG12 ' HE1' ' A' ' 57' ' ' TYR . 3.5 t -136.2 114.9 15.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.969 179.817 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.609 ' CD1' HD11 ' A' ' 42' ' ' LEU . 39.9 pt -65.15 161.0 52.75 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.318 -179.818 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.419 ' HD2' ' HB ' ' A' ' 34' ' ' ILE . 53.3 Cg_exo -52.69 163.23 1.99 Allowed 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.471 2.114 . . . . 0.0 112.308 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -72.89 -30.37 63.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.037 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 9.6 mttp -85.07 -23.37 28.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.204 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -79.67 -46.8 16.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.896 0.379 . . . . 0.0 110.067 179.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.743 ' HB1' ' HG3' ' A' ' 1' ' ' MET . . . -60.85 -24.63 66.05 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.956 179.256 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 21.6 t80 -68.1 -55.83 11.05 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.172 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.575 ' HB2' HD22 ' A' ' 20' ' ' LEU . 7.2 mtt85 -55.87 -22.08 23.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.58 -179.64 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.609 HD11 ' CD1' ' A' ' 34' ' ' ILE . 51.3 mt -52.52 -57.98 8.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.797 0.332 . . . . 0.0 111.344 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -53.81 -23.74 13.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.596 -179.665 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.8 mt -85.97 -50.66 14.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.736 0.303 . . . . 0.0 111.35 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.801 HG21 ' HB1' ' A' ' 19' ' ' ALA . 0.6 OUTLIER -71.73 -42.91 70.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.037 0.446 . . . . 0.0 111.484 -179.596 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.436 ' N ' ' CG1' ' A' ' 45' ' ' VAL . 19.2 p -79.82 3.95 18.01 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.901 -179.583 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 62.79 30.2 16.71 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.811 0.339 . . . . 0.0 111.237 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 80.74 27.07 52.16 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.532 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.61 -50.98 71.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.862 0.363 . . . . 0.0 110.907 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.8 mp -98.93 -178.07 3.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.754 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.53 103.88 9.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.877 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -71.63 115.77 11.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -123.87 133.18 53.82 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.712 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -90.16 26.05 2.0 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.386 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -72.76 -74.96 0.15 Allowed 'General case' 0 C--O 1.234 0.265 0 CA-C-O 120.756 0.312 . . . . 0.0 110.482 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.11 -18.48 60.93 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.896 0.379 . . . . 0.0 111.008 179.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.654 ' HE1' HG12 ' A' ' 33' ' ' VAL . 21.7 m-85 -79.56 -14.84 58.57 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.184 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 16.3 mtp180 -80.02 -174.38 4.42 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-O 121.129 0.49 . . . . 0.0 110.529 -179.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -99.74 166.03 11.3 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.933 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . 64.89 -78.48 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.866 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.822 0 CA-C-O 118.155 -0.926 . . . . 0.0 111.108 -179.867 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.58 ' HE3' ' HB1' ' A' ' 39' ' ' ALA . 0.9 OUTLIER . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.895 0.379 . . . . 0.0 111.322 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.461 ' O ' HG23 ' A' ' 6' ' ' VAL . 4.3 m-85 -76.85 159.08 30.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.835 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 11.2 tttt -71.11 -30.14 66.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.934 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 9.8 ttmt -60.67 -44.31 96.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.99 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.13 -51.96 66.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.016 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 2' ' ' TYR . 3.4 t -53.81 -53.68 25.07 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.354 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.186 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 52.8 mt -57.85 -29.33 35.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.12 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.19 -27.02 53.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.889 0.376 . . . . 0.0 110.343 179.773 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 22.7 t60 -85.69 -30.9 22.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.713 179.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.675 ' CE2' HG13 ' A' ' 16' ' ' VAL . 43.2 m-85 -93.8 -34.61 13.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.219 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 92.33 -45.98 2.6 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.19 -179.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 43.2 p -132.85 137.8 46.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.71 0.291 . . . . 0.0 110.527 179.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -50.87 -51.12 54.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.251 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.1 tpp180 -46.95 -34.14 5.26 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.291 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.43 -51.49 65.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.024 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.675 HG13 ' CE2' ' A' ' 10' ' ' PHE . 0.5 OUTLIER -54.75 -43.64 67.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.187 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.755 ' HB1' ' O ' ' A' ' 22' ' ' ILE . . . -59.7 -28.57 67.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.136 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.88 -30.85 62.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.001 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.674 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . -79.65 -36.25 38.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.208 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.531 HD23 ' HB2' ' A' ' 41' ' ' ARG . 10.7 mt -89.49 -31.17 17.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.901 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 92.95 26.75 15.59 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.371 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.755 ' O ' ' HB1' ' A' ' 17' ' ' ALA . 39.9 pt -112.43 -178.01 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.826 0.345 . . . . 0.0 111.051 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.2 p -84.79 161.64 19.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.841 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -65.61 -32.34 73.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.91 -43.85 97.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.119 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.54 -32.74 70.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.12 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.424 HG13 ' CZ3' ' A' ' 30' ' ' TRP . 47.8 t -72.76 -43.04 61.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.095 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.7 t -71.03 -30.46 66.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.909 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -72.68 -13.95 61.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.478 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.498 ' CD2' HG22 ' A' ' 34' ' ' ILE . 20.1 m0 -54.97 129.66 38.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.934 0.397 . . . . 0.0 111.176 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.14 -164.91 0.95 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.595 179.749 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -47.82 -28.93 2.83 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.025 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.7 t -133.75 124.8 48.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.889 179.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.649 ' CD1' HD12 ' A' ' 42' ' ' LEU . 42.4 pt -64.51 158.34 67.53 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.154 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.435 ' HD3' ' CD1' ' A' ' 30' ' ' TRP . 77.7 Cg_exo -50.77 168.66 0.2 Allowed 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.596 2.198 . . . . 0.0 112.643 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.428 ' HG3' ' CD1' ' A' ' 57' ' ' TYR . 4.3 tt0 -67.5 -58.95 3.82 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.34 -179.776 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.0 mttt -65.63 -15.68 62.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.789 -179.406 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -79.85 -53.13 7.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.816 0.341 . . . . 0.0 110.637 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.58 ' HB1' ' HE3' ' A' ' 1' ' ' MET . . . -62.19 -22.31 65.8 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.493 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 83.4 t80 -72.91 -63.61 1.14 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.026 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.531 ' HB2' HD23 ' A' ' 20' ' ' LEU . 5.0 mtp85 -57.07 -21.23 30.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.423 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.649 HD12 ' CD1' ' A' ' 34' ' ' ILE . 15.1 mt -64.52 -40.59 95.92 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.568 -179.501 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -54.83 -52.16 63.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.902 0.382 . . . . 0.0 111.007 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.634 ' H ' HD12 ' A' ' 44' ' ' ILE . 3.6 mp -58.65 -47.51 88.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.084 -0.507 . . . . 0.0 112.328 -179.494 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.674 HG11 ' HB1' ' A' ' 19' ' ' ALA . 11.3 m -63.76 -41.24 91.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.948 0.404 . . . . 0.0 111.548 -179.258 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.479 HG23 HG23 ' A' ' 45' ' ' VAL . 65.2 p -79.7 6.59 10.38 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.854 -179.508 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 63.78 35.24 11.36 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.912 0.387 . . . . 0.0 111.183 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 76.56 26.46 63.16 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.593 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.42 -56.76 17.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.895 0.379 . . . . 0.0 110.939 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.485 HD13 ' SD ' ' A' ' 1' ' ' MET . 2.9 mt -98.24 144.95 27.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.62 179.672 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.45 112.35 24.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.89 0.376 . . . . 0.0 111.217 -179.702 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.499 ' CE1' ' CD2' ' A' ' 57' ' ' TYR . 2.3 t80 -67.79 132.1 46.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.9 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -117.76 143.82 45.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.435 179.682 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -90.25 38.09 0.92 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.786 0.327 . . . . 0.0 111.426 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -90.4 -76.9 0.42 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.563 -0.289 . . . . 0.0 110.94 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.98 -13.35 61.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.827 0.346 . . . . 0.0 111.579 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.499 ' CD2' ' CE1' ' A' ' 52' ' ' TYR . 75.8 m-85 -98.54 26.91 5.14 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.133 0.492 . . . . 0.0 111.187 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.95 80.44 2.73 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.833 179.807 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.47 179.79 3.86 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.837 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -158.32 150.8 22.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 179.753 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.298 -0.858 . . . . 0.0 111.049 -179.842 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.852 0.358 . . . . 0.0 111.152 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -91.79 143.67 26.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.729 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.576 ' HD3' HD11 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -56.86 -27.35 60.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.037 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.9 tttp -59.26 -50.23 74.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.942 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -58.57 -46.87 86.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.921 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.536 HG21 HG21 ' A' ' 34' ' ' ILE . 2.7 t -57.35 -51.68 66.45 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.489 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.188 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.576 HD11 ' HD3' ' A' ' 3' ' ' LYS . 57.5 mt -60.23 -27.99 40.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.224 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.58 -26.42 55.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.532 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.671 ' CD2' HG22 ' A' ' 46' ' ' THR . 34.8 t60 -86.33 -32.45 21.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.699 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.593 ' CE2' HG13 ' A' ' 16' ' ' VAL . 45.4 m-85 -92.15 -33.2 14.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.001 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 92.02 -46.87 2.68 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.202 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -134.51 148.52 50.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.734 0.302 . . . . 0.0 110.689 179.751 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -56.02 -51.66 67.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.058 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.6 -39.07 7.22 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.403 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.0 -51.33 70.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.998 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.593 HG13 ' CE2' ' A' ' 10' ' ' PHE . 0.6 OUTLIER -55.59 -44.9 78.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.192 179.921 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.01 -29.03 69.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.165 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.36 22.51 3.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.272 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -132.07 -46.29 0.93 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.746 0.308 . . . . 0.0 111.103 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 16.8 mt -80.27 -31.06 38.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.881 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 109.09 28.13 4.54 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.544 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.499 HD12 ' HB3' ' A' ' 26' ' ' ALA . 41.2 pt -116.63 -179.11 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.858 0.361 . . . . 0.0 110.961 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.1 t -89.83 161.19 16.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -59.67 -30.84 69.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.947 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.14 -33.18 69.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.083 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.499 ' HB3' HD12 ' A' ' 22' ' ' ILE . . . -59.36 -43.59 92.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.064 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.437 HG13 ' CZ3' ' A' ' 30' ' ' TRP . 41.7 t -66.35 -47.87 82.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.064 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 18.2 p -67.2 -29.28 68.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.918 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -72.69 -19.43 61.41 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.401 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.437 ' CZ3' HG13 ' A' ' 27' ' ' VAL . 33.1 m0 -52.92 155.92 2.23 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.056 0.455 . . . . 0.0 111.145 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.4 mmtp -107.12 -170.66 1.74 Allowed 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.834 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -48.08 -28.49 2.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.779 0.323 . . . . 0.0 110.95 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 31.7 t -127.02 119.77 53.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 179.653 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.568 ' CD1' ' HB2' ' A' ' 39' ' ' ALA . 47.2 pt -56.01 156.96 9.14 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.201 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -53.55 -175.05 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.489 2.126 . . . . 0.0 112.256 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.401 ' CG ' ' HB3' ' A' ' 57' ' ' TYR . 71.1 tt0 -89.95 -41.14 11.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.182 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 9.2 mtpt -81.45 -17.8 47.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.49 -179.584 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -79.75 -47.88 14.54 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 179.681 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.887 ' HA ' HD12 ' A' ' 42' ' ' LEU . . . -56.88 -25.83 57.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.852 179.281 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -75.89 -49.62 17.36 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.972 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 18.0 mtt85 -67.53 -30.47 70.14 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.144 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.887 HD12 ' HA ' ' A' ' 39' ' ' ALA . 14.7 mt -58.52 -39.47 80.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.115 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.74 -17.82 65.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.247 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.8 mt -91.14 -48.25 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.032 0.444 . . . . 0.0 111.011 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.549 HG23 HG23 ' A' ' 46' ' ' THR . 16.6 m -61.49 -43.13 96.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.261 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.671 HG22 ' CD2' ' A' ' 9' ' ' HIS . 74.7 p -79.83 4.72 15.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.895 -179.491 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 65.88 30.39 9.93 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 120.824 0.345 . . . . 0.0 111.244 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 80.63 26.91 52.94 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.649 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.514 ' HB3' ' HB ' ' A' ' 46' ' ' THR . . . -68.68 -36.66 78.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.798 0.332 . . . . 0.0 110.975 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 23.4 mt -102.53 -176.53 3.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.763 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -128.26 107.77 10.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.888 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -74.54 126.51 30.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.866 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.421 ' O ' ' CD2' ' A' ' 57' ' ' TYR . 36.8 mt-30 -128.35 120.7 27.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.566 179.619 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -85.1 19.2 2.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.715 -179.707 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -61.25 -69.13 0.25 Allowed 'General case' 0 CA--C 1.518 -0.287 0 CA-C-O 120.764 0.316 . . . . 0.0 110.326 179.72 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.23 -13.34 62.13 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-O 120.812 0.339 . . . . 0.0 110.989 179.328 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.421 ' CD2' ' O ' ' A' ' 53' ' ' GLN . 14.6 m-85 -97.4 26.52 4.83 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.0 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 16.1 ttp85 -101.95 -57.71 2.02 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.09 0.471 . . . . 0.0 110.987 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.42 139.98 43.71 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.079 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -139.16 -47.37 0.48 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.052 -179.662 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.261 0 CA-C-O 117.687 -1.149 . . . . 0.0 111.319 179.954 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.59 ' CG ' HD11 ' A' ' 34' ' ' ILE . 3.4 ptp . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.837 0.351 . . . . 0.0 111.174 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -83.05 139.9 32.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.965 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.703 ' CE ' HD11 ' A' ' 7' ' ' ILE . 34.5 tttt -59.32 -24.39 63.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.059 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.8 -38.38 67.25 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.032 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.98 -48.84 33.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.802 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.1 t -54.29 -57.13 6.8 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.018 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.703 HD11 ' CE ' ' A' ' 3' ' ' LYS . 46.3 mt -56.86 -26.76 24.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.119 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.96 -27.73 49.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.001 0.429 . . . . 0.0 110.343 179.651 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.477 ' CD2' HG22 ' A' ' 46' ' ' THR . 17.9 t60 -87.43 -29.11 21.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.725 179.78 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.565 ' HB3' ' HB3' ' A' ' 15' ' ' ALA . 55.0 m-85 -96.43 -27.38 14.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.132 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 92.37 -47.82 2.61 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.12 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.7 p -142.5 155.97 45.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.808 0.337 . . . . 0.0 110.51 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -54.86 -50.69 68.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.997 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.1 ttt-85 -44.9 -40.21 6.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.499 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.565 ' HB3' ' HB3' ' A' ' 10' ' ' PHE . . . -60.62 -51.12 70.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.072 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.45 HG13 ' CE2' ' A' ' 10' ' ' PHE . 0.9 OUTLIER -55.91 -40.92 65.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.199 179.927 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.78 ' HB1' ' O ' ' A' ' 22' ' ' ILE . . . -61.01 -30.01 70.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.168 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.3 mmtp -76.2 -30.87 58.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.996 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.45 ' HB2' ' HE1' ' A' ' 10' ' ' PHE . . . -76.24 -49.45 17.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.255 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.569 HD21 ' HG ' ' A' ' 42' ' ' LEU . 15.5 mt -79.93 -29.57 39.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.974 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 93.57 28.0 12.08 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.458 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.78 ' O ' ' HB1' ' A' ' 17' ' ' ALA . 31.6 pt -110.01 -179.57 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.82 0.343 . . . . 0.0 111.127 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 91.9 p -88.91 161.65 16.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.895 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.07 -31.39 72.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.944 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.36 -44.16 97.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.02 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.54 -42.89 93.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.083 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 28.7 t -60.9 -52.44 61.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.161 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.8 t -63.19 -36.47 83.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.981 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -61.15 -19.5 61.61 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.562 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.435 ' CE3' HG22 ' A' ' 34' ' ' ILE . 46.7 m0 -53.93 166.94 0.3 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.261 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.4 pttt -126.71 -166.61 1.61 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.16 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -44.67 -30.7 0.98 Allowed 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.386 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 30.5 t -130.51 120.7 49.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.85 179.587 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.59 HD11 ' CG ' ' A' ' 1' ' ' MET . 12.6 pt -54.59 157.88 4.76 Favored Pre-proline 0 C--N 1.33 -0.239 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.165 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_exo -51.0 171.35 0.12 Allowed 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.543 2.162 . . . . 0.0 112.425 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -77.69 -33.21 53.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.228 -179.745 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.1 mttp -90.02 -20.05 23.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.675 -179.605 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -79.73 -40.44 28.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.814 0.34 . . . . 0.0 110.544 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.555 ' HB3' ' CE2' ' A' ' 52' ' ' TYR . . . -62.92 -26.75 68.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.752 179.523 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.4 ' O ' HD12 ' A' ' 44' ' ' ILE . 72.0 t80 -74.14 -51.68 14.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.92 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.434 ' HB2' HD22 ' A' ' 20' ' ' LEU . 4.3 mtt180 -65.82 -24.15 66.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.096 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.569 ' HG ' HD21 ' A' ' 20' ' ' LEU . 9.9 mt -66.52 -34.65 78.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.36 -179.679 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.64 -51.34 70.35 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.976 0.417 . . . . 0.0 110.914 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.645 ' H ' HD12 ' A' ' 44' ' ' ILE . 3.5 mp -61.18 -47.01 95.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.985 -0.552 . . . . 0.0 112.421 -179.368 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.465 HG22 ' HA ' ' A' ' 42' ' ' LEU . 15.2 m -61.11 -42.33 92.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.881 0.372 . . . . 0.0 111.778 -179.232 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.64 ' HB ' ' HB3' ' A' ' 49' ' ' ALA . 23.4 p -79.83 6.5 10.88 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.848 -179.568 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 64.87 31.83 11.26 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-O 120.861 0.362 . . . . 0.0 111.121 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 79.61 26.07 57.38 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.673 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.64 ' HB3' ' HB ' ' A' ' 46' ' ' THR . . . -70.81 -32.12 69.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.912 0.387 . . . . 0.0 110.993 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.521 HD13 ' SD ' ' A' ' 1' ' ' MET . 3.5 mt -118.72 117.76 29.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.736 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 6.9 ttpp -79.92 119.49 22.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.073 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.555 ' CE2' ' HB3' ' A' ' 39' ' ' ALA . 12.0 t80 -61.71 139.7 58.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.028 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.41 ' O ' ' CD2' ' A' ' 57' ' ' TYR . 17.7 mm-40 -133.94 126.19 29.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.693 179.719 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -89.16 46.33 1.37 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.183 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -90.16 -54.72 3.9 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.64 179.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.581 ' O ' ' HB3' ' A' ' 60' ' ' ALA . . . -88.61 -18.67 27.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.197 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.517 ' CD2' ' CE1' ' A' ' 52' ' ' TYR . 22.7 m-85 -79.86 -23.86 41.65 Favored 'General case' 0 CA--C 1.528 0.127 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.981 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 7.1 tpm_? -79.97 -66.76 0.83 Allowed 'General case' 0 C--O 1.235 0.313 0 CA-C-O 121.004 0.431 . . . . 0.0 110.695 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -123.19 101.08 7.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.947 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.581 ' HB3' ' O ' ' A' ' 56' ' ' ALA . . . -169.39 119.49 0.68 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.198 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.202 -0.904 . . . . 0.0 111.098 -179.878 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.543 ' HB3' HD11 ' A' ' 34' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.855 0.359 . . . . 0.0 111.11 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -89.14 147.35 24.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.632 ' CE ' HD11 ' A' ' 7' ' ' ILE . 7.6 tttt -57.12 -27.14 61.55 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.064 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.66 -48.39 79.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.019 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -61.0 -51.77 67.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.945 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.531 HG13 HD22 ' A' ' 42' ' ' LEU . 3.0 t -54.49 -52.56 38.95 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.434 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.17 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.632 HD11 ' CE ' ' A' ' 3' ' ' LYS . 57.7 mt -57.66 -27.92 30.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.14 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.36 -28.12 52.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.996 0.427 . . . . 0.0 110.45 179.681 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.416 ' CD2' HG22 ' A' ' 46' ' ' THR . 11.3 t60 -85.33 -30.54 23.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.542 179.812 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.576 ' CG ' HG22 ' A' ' 16' ' ' VAL . 47.6 m-85 -94.38 -27.67 15.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.157 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 88.37 -52.63 4.06 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.279 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.408 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 0.8 OUTLIER -129.98 148.05 51.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.729 0.299 . . . . 0.0 110.674 179.828 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -56.55 -53.84 52.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.994 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.99 -31.57 3.3 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.309 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 12' ' ' THR . . . -61.8 -53.76 51.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.886 179.811 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.576 HG22 ' CG ' ' A' ' 10' ' ' PHE . 1.2 t -55.62 -41.02 62.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.077 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.32 -37.25 82.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.09 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.17 22.28 3.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.461 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.762 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . -125.58 -48.86 1.66 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.795 0.331 . . . . 0.0 111.096 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.91 HD23 HG21 ' A' ' 45' ' ' VAL . 11.2 mt -79.97 -30.81 39.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 113.14 27.73 3.59 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.49 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.427 HD12 ' HB3' ' A' ' 26' ' ' ALA . 30.6 pt -122.05 -178.9 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.882 0.372 . . . . 0.0 110.999 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 60.7 p -93.83 162.47 13.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -59.74 -32.15 70.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.853 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.2 -38.91 88.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.137 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.427 ' HB3' HD12 ' A' ' 22' ' ' ILE . . . -62.58 -38.11 88.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.146 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.8 t -67.94 -50.78 56.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.094 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.4 m -61.76 -29.71 70.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.941 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -71.84 -22.19 61.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.335 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.516 ' CE3' HG22 ' A' ' 34' ' ' ILE . 46.8 m0 -53.48 125.89 19.57 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.841 0.353 . . . . 0.0 111.063 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.7 mtmm -80.09 -163.49 0.55 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.624 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -49.58 -27.96 5.09 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.652 0.263 . . . . 0.0 110.991 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.529 HG12 ' HE1' ' A' ' 57' ' ' TYR . 16.1 t -127.91 127.15 67.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.839 0.352 . . . . 0.0 110.956 179.752 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.557 HD13 ' CD1' ' A' ' 42' ' ' LEU . 3.8 pt -57.42 154.61 22.55 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.398 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -55.58 162.76 5.96 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.556 2.171 . . . . 0.0 112.26 179.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.34 -54.08 28.83 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.263 -179.758 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.86 -19.3 64.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.558 -179.595 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -79.66 -45.46 19.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.836 0.35 . . . . 0.0 110.276 179.698 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.871 ' HA ' HD12 ' A' ' 42' ' ' LEU . . . -60.15 -28.44 67.91 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.003 179.564 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.413 ' O ' HD12 ' A' ' 44' ' ' ILE . 92.0 t80 -74.07 -45.46 49.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.99 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.842 ' O ' HG23 ' A' ' 45' ' ' VAL . 0.3 OUTLIER -71.07 -30.02 66.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 -179.849 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.871 HD12 ' HA ' ' A' ' 39' ' ' ALA . 11.8 mt -58.59 -43.45 89.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.06 -179.746 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 59.1 tt0 -49.3 -60.34 2.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.913 0.387 . . . . 0.0 110.77 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.635 ' H ' HD12 ' A' ' 44' ' ' ILE . 3.6 mp -56.14 -46.34 81.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.501 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.91 HG21 HD23 ' A' ' 20' ' ' LEU . 19.6 t -63.28 -35.75 73.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.51 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.635 ' HB ' ' HB3' ' A' ' 49' ' ' ALA . 70.7 p -87.58 11.7 14.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.7 -179.762 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 60.83 28.17 17.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.686 0.279 . . . . 0.0 111.143 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 83.35 29.69 32.63 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.665 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.635 ' HB3' ' HB ' ' A' ' 46' ' ' THR . . . -76.82 -42.3 40.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.841 0.353 . . . . 0.0 110.98 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' A' ' 50' ' ' LEU . 28.4 mt -108.21 125.58 51.81 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.842 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.06 105.73 13.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.988 -179.797 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -65.37 135.02 54.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.656 179.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -130.66 102.73 6.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.04 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -59.78 -22.59 62.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.952 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 13.0 p30 -57.45 -34.78 69.33 Favored 'General case' 0 C--O 1.224 -0.25 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.833 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -92.67 14.03 18.29 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.023 179.663 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.529 ' HE1' HG12 ' A' ' 33' ' ' VAL . 61.6 m-85 -140.43 22.88 2.35 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.787 0.327 . . . . 0.0 110.906 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 15.8 mtt180 -129.0 30.01 5.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.928 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -117.68 74.78 0.95 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.042 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -111.43 -32.77 6.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.019 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.141 -0.933 . . . . 0.0 111.015 179.965 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.598 ' HG2' HD11 ' A' ' 34' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.944 0.402 . . . . 0.0 111.175 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -76.33 148.57 37.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.02 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.622 ' HE2' HD12 ' A' ' 7' ' ' ILE . 0.4 OUTLIER -70.27 -32.5 70.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.143 -179.937 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 16.3 ttpp -59.24 -19.97 50.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.495 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.55 -48.17 9.82 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.702 0.287 . . . . 0.0 111.252 -179.752 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.58 HG21 HG21 ' A' ' 34' ' ' ILE . 3.1 t -53.84 -44.74 61.34 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 CA-C-O 120.846 0.355 . . . . 0.0 111.184 -179.753 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.622 HD12 ' HE2' ' A' ' 3' ' ' LYS . 99.6 mt -70.34 -32.81 51.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.981 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.45 -25.37 50.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.602 179.676 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.6 t60 -84.07 -27.41 28.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.703 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.436 ' CD2' HG13 ' A' ' 16' ' ' VAL . 4.3 m-85 -91.5 -49.94 6.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.992 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 121.03 -29.04 5.9 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.488 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -152.4 179.15 8.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.767 0.318 . . . . 0.0 110.873 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -84.18 -44.54 13.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.894 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 6.9 ttm180 -59.16 -30.86 68.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.931 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.28 -35.28 79.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.072 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.487 HG11 HG12 ' A' ' 6' ' ' VAL . 0.0 OUTLIER -82.37 -35.75 13.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 179.917 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.552 ' HB1' ' O ' ' A' ' 22' ' ' ILE . . . -68.14 -27.38 66.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.252 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.7 -30.94 22.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.919 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.724 ' HB1' HG21 ' A' ' 45' ' ' VAL . . . -68.35 -49.49 59.92 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.165 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.608 HD22 ' HG3' ' A' ' 41' ' ' ARG . 20.6 mt -80.03 -33.6 39.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 106.2 27.29 5.65 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.658 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.552 ' O ' ' HB1' ' A' ' 17' ' ' ALA . 24.8 pt -112.44 -179.99 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.838 0.351 . . . . 0.0 111.068 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -88.95 161.49 16.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -59.05 -31.35 68.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.975 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.61 -41.54 92.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.04 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.11 -45.07 83.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.118 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.428 HG13 ' CZ3' ' A' ' 30' ' ' TRP . 51.5 t -62.96 -42.05 95.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 76.7 p -71.88 -30.94 65.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.995 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.3 -10.55 59.56 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.545 179.825 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.434 ' CD1' ' HD3' ' A' ' 35' ' ' PRO . 21.1 m0 -58.61 130.29 46.15 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.755 0.312 . . . . 0.0 110.699 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.7 mtmm -81.91 -168.46 1.93 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.272 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -48.2 -37.89 16.96 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.771 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 24.3 t -118.07 122.97 70.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.662 179.503 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.616 HD12 ' HA ' ' A' ' 39' ' ' ALA . 7.9 pt -55.82 157.42 7.95 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.425 -179.643 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.434 ' HD3' ' CD1' ' A' ' 30' ' ' TRP . 74.9 Cg_exo -49.11 166.52 0.17 Allowed 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.777 2.318 . . . . 0.0 112.76 -179.714 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.426 ' HG2' ' OH ' ' A' ' 52' ' ' TYR . 6.0 tm-20 -74.05 -36.35 64.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.305 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.8 mttt -90.04 -19.61 24.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.723 -179.496 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -79.75 -41.28 26.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.941 0.401 . . . . 0.0 110.665 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.616 ' HA ' HD12 ' A' ' 34' ' ' ILE . . . -64.52 -24.66 67.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.21 179.643 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -67.67 -75.34 0.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.276 -179.617 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.608 ' HG3' HD22 ' A' ' 20' ' ' LEU . 15.4 ptt180 -51.86 -25.33 7.68 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.326 -179.68 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.442 HD12 ' HA ' ' A' ' 39' ' ' ALA . 9.2 mt -57.74 -37.3 73.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.867 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -63.47 -30.79 71.86 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.884 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.7 mt -79.01 -49.45 20.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.185 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.724 HG21 ' HB1' ' A' ' 19' ' ' ALA . 0.4 OUTLIER -60.09 -39.34 80.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.213 -179.825 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.401 ' N ' ' CG1' ' A' ' 45' ' ' VAL . 72.8 p -82.1 26.51 0.52 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.783 -0.644 . . . . 0.0 112.066 -179.324 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 50.52 27.14 2.71 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.76 0.314 . . . . 0.0 111.462 179.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 76.76 22.64 71.67 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.644 -0.788 . . . . 0.0 112.626 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.6 -54.77 38.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.86 0.362 . . . . 0.0 110.897 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.0 mt -86.96 167.25 14.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.628 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.79 125.45 44.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.923 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.516 ' CE1' ' CD2' ' A' ' 57' ' ' TYR . 13.5 t80 -72.84 130.69 41.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.129 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.471 ' O ' ' CD2' ' A' ' 57' ' ' TYR . 4.9 mt-30 -124.27 124.41 42.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.363 179.659 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -87.58 29.74 0.86 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.665 -179.549 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -90.4 -36.03 14.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.653 0.263 . . . . 0.0 110.526 179.567 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -94.81 -16.52 22.9 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.196 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.516 ' CD2' ' CE1' ' A' ' 52' ' ' TYR . 22.2 m-85 -94.31 22.0 6.45 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.1 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 38.5 mtt-85 -110.01 -175.37 2.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.731 0.3 . . . . 0.0 110.708 -179.601 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -147.46 130.86 16.64 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.08 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . 59.68 176.09 0.08 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.095 0.474 . . . . 0.0 110.508 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.257 1.461 0 CA-C-O 118.176 -0.916 . . . . 0.0 111.054 179.881 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 32.2 tpp . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.801 0.334 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -75.44 140.55 42.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.792 179.857 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.22 -40.75 86.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.086 -179.91 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 21.8 ttpt -52.64 -40.92 63.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.242 -179.912 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -60.44 -51.46 69.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.993 179.934 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.435 ' H ' HG23 ' A' ' 6' ' ' VAL . 2.8 t -57.97 -41.75 80.97 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.219 -179.931 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 50.3 mm -69.52 -37.19 74.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.268 -179.787 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.8 -24.89 58.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.351 179.747 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -83.51 -25.35 31.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.655 179.808 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.408 ' CE2' ' HA ' ' A' ' 16' ' ' VAL . 3.1 m-85 -98.01 -43.76 6.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.989 -179.798 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 112.34 -27.38 10.1 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.382 -179.763 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 47.6 p -151.29 179.37 8.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.819 0.342 . . . . 0.0 110.771 179.928 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -89.01 -51.17 5.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.864 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.8 tpp180 -52.29 -29.61 24.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.1 179.855 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.15 -48.43 80.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.989 179.922 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.408 ' HA ' ' CE2' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -59.99 -32.3 49.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 -179.979 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.853 ' HB1' ' O ' ' A' ' 22' ' ' ILE . . . -63.22 -29.28 70.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.074 -179.92 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.4 mttt -76.28 -46.2 28.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.902 -179.984 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.967 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . -59.35 -47.17 86.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.141 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 8.5 mt -84.9 -30.86 24.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.71 26.61 19.48 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.382 -179.932 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.853 ' O ' ' HB1' ' A' ' 17' ' ' ALA . 42.2 pt -109.41 -178.71 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.857 0.361 . . . . 0.0 111.083 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.73 162.19 16.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 179.915 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -58.88 -30.41 67.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.956 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.48 -45.34 91.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.155 -179.943 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.719 ' HB3' HD12 ' A' ' 22' ' ' ILE . . . -58.42 -36.85 74.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.152 179.911 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.413 HG13 ' CZ3' ' A' ' 30' ' ' TRP . 45.5 t -75.63 -44.78 40.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.099 179.905 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.4 t -69.35 -30.8 68.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.862 -179.963 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -71.13 -19.75 62.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.255 179.93 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.413 ' CZ3' HG13 ' A' ' 27' ' ' VAL . 31.4 m0 -52.34 123.44 10.83 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.89 0.376 . . . . 0.0 111.106 -179.95 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.25 -165.52 0.87 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.489 -179.905 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -49.44 -31.67 10.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.131 179.963 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 24.0 t -127.34 111.66 25.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.011 0.434 . . . . 0.0 111.11 179.919 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.565 HG13 ' HB2' ' A' ' 39' ' ' ALA . 35.6 pt -58.39 159.31 12.1 Favored Pre-proline 0 C--N 1.331 -0.23 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.19 179.912 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -49.91 161.53 0.93 Allowed 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.646 2.231 . . . . 0.0 112.354 -179.912 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -69.31 -39.87 77.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.136 -179.889 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.3 mmtp -82.6 -17.47 44.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.427 -179.718 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -79.78 -48.75 13.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.789 0.328 . . . . 0.0 110.435 179.733 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.565 ' HB2' HG13 ' A' ' 34' ' ' ILE . . . -60.51 -27.58 67.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.798 179.461 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -70.32 -53.39 16.94 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.876 179.855 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.34 -26.48 61.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.052 179.948 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 42' ' ' LEU . 31.1 mt -59.31 -44.05 92.59 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.076 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.56 -46.88 70.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.012 179.917 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.476 ' N ' HD13 ' A' ' 44' ' ' ILE . 3.9 mm -59.34 -48.42 87.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.975 -179.809 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.967 HG11 ' HB1' ' A' ' 19' ' ' ALA . 7.8 m -69.49 -39.97 79.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.334 -0.393 . . . . 0.0 112.023 -179.241 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.424 HG23 HG23 ' A' ' 45' ' ' VAL . 79.2 p -79.77 14.67 1.63 Allowed 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -179.215 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 58.86 26.72 15.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.746 0.308 . . . . 0.0 111.28 179.625 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 73.43 40.5 47.88 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.628 179.978 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -86.0 -43.91 12.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.912 0.387 . . . . 0.0 110.991 179.968 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 10.5 mt -94.06 124.44 38.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.817 179.87 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 17.3 pttt -80.47 112.18 17.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.06 -179.761 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.506 ' CE1' ' CD2' ' A' ' 57' ' ' TYR . 10.2 t80 -61.95 117.67 6.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.916 179.774 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -99.58 115.94 30.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.934 179.968 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -90.29 34.37 0.87 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.334 -179.9 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -88.61 -45.93 9.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.827 0.346 . . . . 0.0 110.572 179.803 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -89.82 -10.07 46.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.333 179.73 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.506 ' CD2' ' CE1' ' A' ' 52' ' ' TYR . 35.0 m-85 -90.41 11.7 20.73 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.327 -179.935 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.68 -30.39 14.33 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-O 120.76 0.314 . . . . 0.0 111.0 179.904 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -139.96 98.77 3.53 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.532 -179.804 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . 59.89 -177.82 0.1 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.793 179.4 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.177 0 CA-C-O 118.058 -0.972 . . . . 0.0 111.523 179.823 . . . . . . . . 0 0 . 1 stop_ save_