data_1tnx_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 1tnx _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 full ' A' A ' 5' ' ' ASP . . . . . 0.478 ' O ' ' HG3' ' A' ' 9' ' ' GLU . 0.2 OUTLIER . . . . . 0 C--O 1.207 -1.151 0 CA-C-O 122.049 0.928 . . . . 0.0 109.186 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -69.25 -39.43 78.47 Favored 'General case' 0 C--N 1.278 -2.536 0 C-N-CA 119.545 -0.862 . . . . 0.0 110.276 179.024 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.525 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 4.3 mt-30 -69.69 -40.87 76.08 Favored 'General case' 0 C--N 1.282 -2.351 0 C-N-CA 119.443 -0.903 . . . . 0.0 110.502 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.48 -9.61 43.76 Favored 'General case' 0 C--N 1.281 -2.396 0 C-N-CA 119.373 -0.931 . . . . 0.0 112.008 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.478 ' HG3' ' O ' ' A' ' 5' ' ' ASP 0.279 31.3 mt-10 -106.86 -44.58 4.39 Favored 'General case' 0 C--N 1.278 -2.514 0 O-C-N 120.59 -1.319 . . . . 0.0 109.941 179.696 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.65 -26.57 67.86 Favored 'General case' 0 C--N 1.285 -2.205 0 C-N-CA 119.312 -0.955 . . . . 0.0 109.475 178.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.525 ' HB2' ' O ' ' A' ' 7' ' ' GLN . 0.0 OUTLIER -68.25 -45.58 72.8 Favored 'General case' 0 C--N 1.289 -2.031 0 CA-C-O 121.871 0.843 . . . . 0.0 109.542 179.096 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.01 -19.19 64.12 Favored 'General case' 0 C--N 1.288 -2.102 0 O-C-N 121.378 -0.826 . . . . 0.0 110.68 179.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -67.24 -44.91 78.28 Favored 'General case' 0 C--N 1.301 -1.541 0 C-N-CA 119.876 -0.73 . . . . 0.0 110.231 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.418 HD11 ' CG1' ' A' ' 19' ' ' ILE . 0.2 OUTLIER -114.06 125.98 54.59 Favored 'General case' 0 C--N 1.297 -1.683 0 O-C-N 121.437 -0.79 . . . . 0.0 109.619 179.868 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 57.4 m -79.51 -176.56 5.35 Favored 'General case' 1 C--O 1.14 -4.658 0 CA-C-O 122.042 0.925 . . . . 0.0 109.574 179.67 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -61.71 -28.52 69.47 Favored 'General case' 0 C--N 1.246 -3.902 0 O-C-N 117.919 -2.988 . . . . 0.0 110.349 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -65.63 -47.69 74.78 Favored 'General case' 0 N--CA 1.485 1.281 0 O-C-N 121.367 -0.833 . . . . 0.0 108.926 179.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.95 -47.16 69.42 Favored 'General case' 0 N--CA 1.487 1.407 0 N-CA-C 109.06 -0.718 . . . . 0.0 109.06 178.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.418 ' CG1' HD11 ' A' ' 14' ' ' LEU . 82.0 mt -51.11 -37.82 17.88 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.866 0 O-C-N 121.942 -0.474 . . . . 0.0 110.2 179.672 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.56 -46.93 88.37 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.75 -0.593 . . . . 0.0 109.898 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -64.01 -38.14 89.99 Favored 'General case' 0 C--N 1.306 -1.283 0 O-C-N 121.607 -0.683 . . . . 0.0 109.271 179.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -68.11 -29.02 67.84 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.356 -0.84 . . . . 0.0 109.573 179.019 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.6 ttpt -64.65 -29.47 70.48 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.53 -0.731 . . . . 0.0 110.189 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.74 -49.32 78.19 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.401 -0.812 . . . . 0.0 110.182 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.73 -28.04 64.42 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 121.415 -0.803 . . . . 0.0 110.294 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -67.84 -42.14 81.87 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.369 -0.832 . . . . 0.0 110.528 -179.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . 0.27 0.0 OUTLIER -63.35 -28.7 70.18 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.234 -0.916 . . . . 0.0 111.031 -179.205 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . 0.396 0.3 OUTLIER -63.63 -52.12 62.25 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.914 -1.116 . . . . 0.0 109.423 179.569 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.434 ' HA ' ' CG2' ' A' ' 45' ' ' VAL . 13.0 m-85 -63.03 -26.8 69.02 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.6 -0.688 . . . . 0.0 109.161 178.551 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -84.3 44.41 1.02 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.836 -0.54 . . . . 0.0 109.785 179.128 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.83 -32.86 74.15 Favored 'General case' 0 C--O 1.179 -2.636 0 O-C-N 121.389 -0.819 . . . . 0.0 110.593 -179.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.06 -26.4 27.01 Favored 'General case' 1 C--O 1.106 -6.465 0 CA-C-O 116.091 -1.909 . . . . 0.0 110.944 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 108.6 156.07 17.93 Favored Glycine 2 C--O 0.847 -24.049 2 N-CA-C 126.184 5.234 . . . . 0.0 126.184 179.833 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 1.103 ' O ' ' CA ' ' A' ' 34' ' ' GLY . . . 124.17 -143.25 14.7 Favored Glycine 3 C--O 0.557 -42.162 4 CA-C-O 143.759 12.866 . . . . 0.0 113.264 179.902 . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 1.006 ' CA ' ' C ' ' A' ' 34' ' ' GLY . . . -136.95 5.99 3.7 Favored Glycine 2 C--N 0.859 -25.946 3 O-C-N 61.846 -36.09 . . . . 0.0 110.475 179.902 . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -145.59 162.19 38.04 Favored 'General case' 0 C--N 1.245 -3.962 0 O-C-N 117.68 -3.247 . . . . 0.0 109.516 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.8 mm -102.33 152.69 5.52 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.75 0 O-C-N 121.424 -0.798 . . . . 0.0 109.063 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -128.89 177.45 7.09 Favored 'General case' 0 C--N 1.292 -1.904 0 O-C-N 120.559 -1.338 . . . . 0.0 109.852 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.408 HG22 ' HA ' ' A' ' 59' ' ' ASP . 0.3 OUTLIER -67.37 -45.44 76.29 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.372 -0.83 . . . . 0.0 109.954 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . 0.501 0.1 OUTLIER -64.1 -47.41 80.14 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.398 -0.814 . . . . 0.0 109.753 179.83 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -59.84 -33.71 72.14 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.573 -0.704 . . . . 0.0 110.082 179.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.1 tp -61.88 -55.47 29.43 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.467 -0.771 . . . . 0.0 109.96 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -55.9 -34.93 62.14 Favored Glycine 0 N--CA 1.495 2.571 0 N-CA-C 110.528 -1.029 . . . . 0.0 110.528 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.6 m -65.98 -41.92 90.52 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.406 -1.055 . . . . 0.0 109.723 179.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.446 ' HA ' ' HG2' ' A' ' 48' ' ' MET . 43.9 t -70.27 -32.4 50.44 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 O-C-N 121.574 -0.704 . . . . 0.0 109.898 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.464 ' SD ' ' HG3' ' A' ' 53' ' ' PRO . 0.1 OUTLIER -66.51 -48.24 70.4 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.163 -0.96 . . . . 0.0 109.003 179.517 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 7.6 mtp180 -64.25 -21.49 66.6 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.494 -0.754 . . . . 0.0 110.57 179.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.446 ' HG2' ' HA ' ' A' ' 45' ' ' VAL 0.538 0.0 OUTLIER -62.62 -35.92 81.11 Favored 'General case' 0 C--O 1.202 -1.431 0 O-C-N 121.321 -0.862 . . . . 0.0 108.871 179.368 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -80.33 -29.84 38.05 Favored 'General case' 0 C--N 1.297 -1.716 0 O-C-N 121.665 -0.647 . . . . 0.0 109.526 178.796 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 126.74 7.3 5.22 Favored Glycine 0 C--O 1.186 -2.897 0 O-C-N 121.2 -0.938 . . . . 0.0 110.861 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.52 146.71 23.46 Favored 'General case' 1 C--O 1.109 -6.332 0 O-C-N 120.242 -1.74 . . . . 0.0 110.037 179.783 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -120.72 79.05 30.8 Favored Pre-proline 1 C--N 1.233 -4.485 0 O-C-N 117.376 -3.328 . . . . 0.0 110.314 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.464 ' HG3' ' SD ' ' A' ' 46' ' ' MET . 49.5 Cg_endo -77.76 171.49 17.29 Favored 'Trans proline' 0 C--N 1.296 -2.186 0 C-N-CA 122.596 2.197 . . . . 0.0 111.328 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.1 p -98.09 154.34 17.8 Favored 'General case' 0 C--O 1.2 -1.534 0 CA-C-O 121.812 0.815 . . . . 0.0 109.958 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 70.5 mttt -69.33 -48.0 62.74 Favored 'General case' 0 C--N 1.283 -2.319 0 O-C-N 121.104 -0.998 . . . . 0.0 110.27 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -67.01 -29.45 69.28 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.775 -0.578 . . . . 0.0 110.078 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -70.48 -43.7 69.23 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 179.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.0 mt -68.27 -31.91 71.7 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.84 -0.538 . . . . 0.0 109.938 179.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.408 ' HA ' HG22 ' A' ' 39' ' ' THR . 20.4 t70 -62.84 -36.68 84.01 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.507 -0.746 . . . . 0.0 109.319 179.168 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.73 -34.15 71.59 Favored 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 179.036 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 27.5 mt -59.74 -33.71 53.15 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.387 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 179.145 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 13.5 mt -81.93 -33.91 12.21 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.45 -0.781 . . . . 0.0 109.383 179.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -56.25 -40.61 74.43 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.555 -0.716 . . . . 0.0 110.126 179.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.39 -36.93 84.09 Favored 'General case' 0 C--N 1.294 -1.808 0 O-C-N 121.492 -0.755 . . . . 0.0 109.768 179.566 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 58.5 t -70.94 -33.07 50.6 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 O-C-N 121.658 -0.651 . . . . 0.0 110.101 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.478 ' HD2' ' CA ' ' A' ' 71' ' ' GLY . 72.6 m-20 -71.54 66.99 0.51 Allowed 'General case' 0 C--O 1.189 -2.102 0 O-C-N 121.353 -0.842 . . . . 0.0 110.568 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -63.52 -42.07 98.46 Favored 'General case' 0 C--N 1.284 -2.279 0 O-C-N 120.53 -1.356 . . . . 0.0 110.329 179.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . 0.292 0.6 OUTLIER -81.01 -36.0 31.19 Favored 'General case' 0 C--N 1.281 -2.382 0 O-C-N 121.66 -0.65 . . . . 0.0 109.658 179.72 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 119.08 54.35 0.27 Allowed Glycine 1 C--O 1.163 -4.34 0 C-N-CA 120.459 -0.877 . . . . 0.0 111.588 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.32 -55.88 3.25 Favored 'General case' 1 C--O 1.091 -7.272 0 O-C-N 120.718 -1.46 . . . . 0.0 110.456 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.478 ' CA ' ' HD2' ' A' ' 66' ' ' ASP . . . 121.99 -55.63 0.66 Allowed Glycine 1 C--N 1.206 -6.664 1 O-C-N 115.568 -4.458 . . . . 0.0 109.79 -179.786 . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 73.7 p -105.96 -179.05 3.83 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.525 -0.985 . . . . 0.0 109.179 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 3.9 mt -97.55 135.61 31.3 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 O-C-N 120.917 -1.115 . . . . 0.0 109.278 179.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -105.07 176.22 5.23 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.788 -0.57 . . . . 0.0 109.737 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -71.05 -48.01 55.23 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.371 -0.83 . . . . 0.0 108.851 178.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -67.4 -22.51 65.54 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.571 -0.706 . . . . 0.0 109.243 178.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.35 -36.67 68.86 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 106.59 -1.633 . . . . 0.0 106.59 177.413 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -68.32 -35.29 77.59 Favored 'General case' 0 C--N 1.306 -1.284 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 178.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 86.7 mt -71.04 -50.07 38.01 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.515 -0.74 . . . . 0.0 109.57 179.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 8.2 p -61.97 -30.36 48.43 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.61 -0.681 . . . . 0.0 109.267 179.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -66.83 -41.23 87.8 Favored 'General case' 0 C--N 1.308 -1.199 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 178.501 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -71.22 -28.95 64.57 Favored 'General case' 0 N--CA 1.486 1.334 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 178.277 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.2 t -69.7 -29.54 41.49 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.567 0 O-C-N 121.597 -0.689 . . . . 0.0 109.896 179.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.01 10.52 40.16 Favored 'General case' 0 C--O 1.177 -2.712 0 O-C-N 121.341 -0.849 . . . . 0.0 110.876 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 . . . . . 0 C--O 1.154 -3.924 0 O-C-N 121.606 -0.683 . . . . 0.0 109.183 179.555 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 . . . . . 1 N--CA 1.215 -12.178 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -62.89 -32.64 73.95 Favored 'General case' 0 C--N 1.259 -3.334 0 O-C-N 120.287 -1.508 . . . . 0.0 111.259 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -60.48 -51.28 70.13 Favored 'General case' 0 C--N 1.278 -2.516 0 C-N-CA 119.997 -0.681 . . . . 0.0 110.177 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 8.7 mp -69.36 -29.91 67.81 Favored 'General case' 0 C--N 1.289 -2.045 0 O-C-N 121.335 -0.853 . . . . 0.0 110.025 179.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -63.04 -36.7 84.44 Favored 'General case' 0 C--N 1.297 -1.693 0 O-C-N 121.411 -0.806 . . . . 0.0 110.05 179.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -66.7 -49.17 66.94 Favored 'General case' 0 C--N 1.297 -1.694 0 O-C-N 121.461 -0.774 . . . . 0.0 109.272 179.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 53.0 m -63.82 -36.69 84.73 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.629 -0.67 . . . . 0.0 109.243 178.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.426 ' CE1' ' CD1' ' A' ' 113' ' ' ILE . 75.9 t80 -58.31 -47.27 84.21 Favored 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 179.088 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 4.2 ttt180 -67.56 -35.18 78.54 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.732 -0.605 . . . . 0.0 110.456 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 60.2 mt -60.67 -30.99 48.07 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 O-C-N 121.356 -0.84 . . . . 0.0 110.062 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -75.44 -37.64 60.24 Favored 'General case' 0 N--CA 1.486 1.365 0 O-C-N 121.15 -0.969 . . . . 0.0 110.262 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -88.94 92.14 9.11 Favored 'General case' 0 N--CA 1.486 1.335 0 O-C-N 121.154 -0.966 . . . . 0.0 109.48 179.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 9.3 mtpt -70.35 -13.17 62.04 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.394 -0.816 . . . . 0.0 110.889 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -87.15 -18.73 29.72 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.196 -0.94 . . . . 0.0 110.012 179.753 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . 62.26 53.86 2.75 Favored 'General case' 0 C--O 1.196 -1.731 0 O-C-N 121.311 -0.868 . . . . 0.0 110.545 179.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -106.82 -28.89 9.84 Favored 'General case' 0 C--O 1.172 -3.02 0 O-C-N 120.972 -1.08 . . . . 0.0 109.955 179.624 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 135.5 -27.19 3.12 Favored Glycine 0 C--N 1.267 -3.256 0 O-C-N 119.27 -2.144 . . . . 0.0 110.113 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.416 ' CD1' ' HB3' ' A' ' 150' ' ' ASP . 20.7 m-85 -132.62 158.22 42.81 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.122 -1.222 . . . . 0.0 109.753 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.426 ' CD1' ' CE1' ' A' ' 102' ' ' PHE . 3.3 mp -91.81 132.93 34.91 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.395 -0.816 . . . . 0.0 109.083 179.569 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -96.07 158.5 15.42 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.881 -1.137 . . . . 0.0 109.912 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . 0.746 HG13 ' SD ' ' A' ' 138' ' ' MET . 0.1 OUTLIER -65.3 -37.5 80.29 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.492 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 179.181 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -64.52 -36.94 85.85 Favored 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 179.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -65.57 -43.76 88.78 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.443 -0.786 . . . . 0.0 109.613 179.286 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 5.7 tp -69.41 -39.0 78.19 Favored 'General case' 1 C--O 1.108 -6.389 0 O-C-N 121.593 -0.692 . . . . 0.0 110.361 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -44.78 -56.87 5.57 Favored Glycine 1 C--N 1.239 -4.81 0 O-C-N 116.699 -3.75 . . . . 0.0 111.387 -179.754 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -65.93 -36.07 82.35 Favored 'General case' 0 C--N 1.286 -2.195 0 O-C-N 120.968 -1.313 . . . . 0.0 110.499 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 67.0 mt -60.44 -41.41 87.39 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.571 0 O-C-N 121.134 -0.979 . . . . 0.0 109.179 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 7.7 mt -69.72 -44.56 70.09 Favored 'General case' 0 C--N 1.305 -1.345 0 O-C-N 121.449 -0.782 . . . . 0.0 110.008 179.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . 0.308 2.3 mtt180 -70.64 -29.59 65.98 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.411 -0.806 . . . . 0.0 110.511 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -57.19 -26.12 60.13 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.449 -0.782 . . . . 0.0 111.169 -179.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . 0.347 0.1 OUTLIER -65.94 -28.2 68.74 Favored 'General case' 0 C--O 1.183 -2.432 0 O-C-N 121.19 -0.944 . . . . 0.0 110.776 -179.88 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 96.72 -9.07 66.22 Favored Glycine 0 C--O 1.171 -3.844 0 O-C-N 120.387 -1.445 . . . . 0.0 112.365 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -67.56 165.64 16.5 Favored 'General case' 1 C--O 0.867 -19.05 0 CA-C-O 127.677 3.608 . . . . 0.0 110.479 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . 0.463 0.3 OUTLIER -97.23 74.56 2.53 Favored 'General case' 1 C--N 1.017 -13.857 3 O-C-N 101.056 -13.527 . . . . 0.0 110.971 -179.713 . . . . . . . . 5 3 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 9.7 p -91.44 157.87 2.92 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.936 0 O-C-N 120.535 -1.353 . . . . 0.0 110.306 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -106.63 145.67 14.03 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.728 0 CA-C-O 121.474 0.654 . . . . 0.0 110.164 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . 0.444 9.6 pt-20 -67.32 -29.55 69.16 Favored 'General case' 0 C--N 1.296 -1.756 0 O-C-N 121.106 -0.996 . . . . 0.0 109.685 178.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -64.29 -32.76 74.49 Favored 'General case' 0 C--N 1.298 -1.646 0 O-C-N 121.38 -0.825 . . . . 0.0 108.948 178.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -80.68 -40.29 25.71 Favored 'General case' 0 C--O 1.206 -1.189 0 C-N-CA 120.063 -0.655 . . . . 0.0 109.651 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 75.4 mt -66.52 -48.06 81.7 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.596 0 O-C-N 121.682 -0.636 . . . . 0.0 109.808 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -61.48 -49.28 77.41 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.257 -0.902 . . . . 0.0 110.406 -179.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -61.39 -34.43 75.34 Favored 'General case' 0 C--N 1.3 -1.587 0 O-C-N 121.337 -0.852 . . . . 0.0 110.535 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 9.6 tp -60.8 -43.2 98.44 Favored 'General case' 0 C--N 1.306 -1.287 0 O-C-N 121.738 -0.601 . . . . 0.0 109.951 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' MET . . . . . 0.746 ' SD ' HG13 ' A' ' 115' ' ' ILE . 8.6 ttt -68.6 -41.02 80.19 Favored 'General case' 0 C--N 1.299 -1.606 0 CA-C-O 121.56 0.695 . . . . 0.0 110.365 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . 0.47 25.0 pttt -64.58 -26.74 68.54 Favored 'General case' 0 C--N 1.286 -2.183 0 O-C-N 120.615 -1.303 . . . . 0.0 111.695 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -88.16 -28.57 21.14 Favored 'General case' 0 C--N 1.283 -2.305 0 O-C-N 121.084 -1.01 . . . . 0.0 110.138 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 4.1 m -82.16 -21.08 36.73 Favored 'General case' 0 C--O 1.167 -3.241 0 O-C-N 121.676 -0.64 . . . . 0.0 110.434 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . 0.57 ' HA ' ' HE2' ' A' ' 153' ' ' GLU . 0.2 OUTLIER -79.42 101.94 8.44 Favored 'General case' 0 C--O 1.163 -3.456 0 O-C-N 119.556 -1.965 . . . . 0.0 111.448 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . 0.511 ' HZ1' ' HE2' ' A' ' 156' ' ' LYS . 0.0 OUTLIER -71.57 -38.56 70.93 Favored 'General case' 1 C--O 1.15 -4.135 0 O-C-N 120.339 -1.475 . . . . 0.0 109.155 -179.902 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -97.86 -15.61 20.14 Favored 'General case' 1 C--O 1.141 -4.645 0 CA-C-O 123.47 1.605 . . . . 0.0 111.735 179.595 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 61.83 76.18 0.38 Allowed 'General case' 1 C--N 1.2 -5.909 0 O-C-N 118.879 -2.388 . . . . 0.0 113.867 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . 0.297 0.7 OUTLIER -108.93 -29.56 8.54 Favored 'General case' 0 C--O 1.169 -3.133 0 O-C-N 121.126 -0.984 . . . . 0.0 109.714 179.785 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 119.65 -40.52 2.2 Favored Glycine 0 C--N 1.26 -3.685 0 O-C-N 119.643 -1.911 . . . . 0.0 110.174 -179.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -111.07 170.61 7.99 Favored 'General case' 0 N--CA 1.486 1.326 0 O-C-N 121.598 -0.942 . . . . 0.0 110.199 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 13.3 mt -107.9 127.16 64.22 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 179.146 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . 0.416 ' HB3' ' CD1' ' A' ' 112' ' ' PHE . 0.0 OUTLIER -105.94 172.5 6.77 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.28 -0.887 . . . . 0.0 109.941 -179.726 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -62.84 -28.11 69.79 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.586 -0.696 . . . . 0.0 110.012 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -61.63 -59.03 5.81 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.467 -0.771 . . . . 0.0 109.236 179.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . 0.57 ' HE2' ' HA ' ' A' ' 142' ' ' ASP . 2.5 tt0 -67.45 -27.8 67.34 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.823 -0.548 . . . . 0.0 109.713 179.303 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -56.8 -32.91 66.17 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.396 -0.815 . . . . 0.0 110.341 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 31.4 mt -58.06 -58.49 8.22 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.471 -0.768 . . . . 0.0 109.465 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' LYS . . . . . 0.511 ' HE2' ' HZ1' ' A' ' 143' ' ' LYS . 0.2 OUTLIER -70.22 -24.87 63.17 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 120.338 -0.545 . . . . 0.0 109.706 179.303 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -62.06 -42.91 99.69 Favored 'General case' 0 C--O 1.185 -2.337 0 O-C-N 121.427 -0.796 . . . . 0.0 110.014 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 158' ' ' MET . . . . . 1.137 ' O ' ' CA ' ' A' ' 158' ' ' MET . 4.0 ttt . . . . . 2 C--O 0.756 -24.915 1 CA-C-O 137.912 8.482 . . . . 0.0 112.262 179.816 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.521 ' O ' ' HG3' ' A' ' 9' ' ' GLU . 0.2 OUTLIER . . . . . 0 C--O 1.207 -1.151 0 CA-C-O 122.049 0.928 . . . . 0.0 109.186 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -69.25 -39.43 78.47 Favored 'General case' 0 C--N 1.278 -2.536 0 C-N-CA 119.545 -0.862 . . . . 0.0 110.276 179.024 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.644 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 4.3 mt-30 -69.69 -40.87 76.08 Favored 'General case' 0 C--N 1.282 -2.351 0 C-N-CA 119.443 -0.903 . . . . 0.0 110.502 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.48 -9.61 43.76 Favored 'General case' 0 C--N 1.281 -2.396 0 C-N-CA 119.373 -0.931 . . . . 0.0 112.008 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.521 ' HG3' ' O ' ' A' ' 5' ' ' ASP 0.279 31.3 mt-10 -106.86 -44.58 4.39 Favored 'General case' 0 C--N 1.278 -2.514 0 O-C-N 120.59 -1.319 . . . . 0.0 109.941 179.696 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.44 ' HB2' HG23 ' A' ' 80' ' ' VAL . . . -65.65 -26.57 67.86 Favored 'General case' 0 C--N 1.285 -2.205 0 C-N-CA 119.312 -0.955 . . . . 0.0 109.475 178.777 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.644 ' HB2' ' O ' ' A' ' 7' ' ' GLN . 0.0 OUTLIER -68.25 -45.58 72.8 Favored 'General case' 0 C--N 1.289 -2.031 0 CA-C-O 121.871 0.843 . . . . 0.0 109.542 179.096 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.01 -19.19 64.12 Favored 'General case' 0 C--N 1.288 -2.102 0 O-C-N 121.378 -0.826 . . . . 0.0 110.68 179.248 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -67.24 -44.91 78.28 Favored 'General case' 0 C--N 1.301 -1.541 0 C-N-CA 119.876 -0.73 . . . . 0.0 110.231 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.543 HD11 ' HB3' ' A' ' 79' ' ' LEU . 0.2 OUTLIER -114.06 125.98 54.59 Favored 'General case' 0 C--N 1.297 -1.683 0 O-C-N 121.437 -0.79 . . . . 0.0 109.619 179.868 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 57.4 m -79.51 -176.56 5.35 Favored 'General case' 1 C--O 1.14 -4.658 0 CA-C-O 122.042 0.925 . . . . 0.0 109.574 179.67 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -61.71 -28.52 69.47 Favored 'General case' 0 C--N 1.246 -3.902 0 O-C-N 117.919 -2.988 . . . . 0.0 110.349 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -65.63 -47.69 74.78 Favored 'General case' 0 N--CA 1.485 1.281 0 O-C-N 121.367 -0.833 . . . . 0.0 108.926 179.29 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.451 ' HB3' ' HB2' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -67.95 -47.16 69.42 Favored 'General case' 0 N--CA 1.487 1.407 0 N-CA-C 109.06 -0.718 . . . . 0.0 109.06 178.932 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.502 ' CG1' HD12 ' A' ' 14' ' ' LEU . 82.0 mt -51.11 -37.82 17.88 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.866 0 O-C-N 121.942 -0.474 . . . . 0.0 110.2 179.672 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.56 -46.93 88.37 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.75 -0.593 . . . . 0.0 109.898 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -64.01 -38.14 89.99 Favored 'General case' 0 C--N 1.306 -1.283 0 O-C-N 121.607 -0.683 . . . . 0.0 109.271 179.251 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -68.11 -29.02 67.84 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.356 -0.84 . . . . 0.0 109.573 179.019 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.6 ttpt -64.65 -29.47 70.48 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.53 -0.731 . . . . 0.0 110.189 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.74 -49.32 78.19 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.401 -0.812 . . . . 0.0 110.182 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.73 -28.04 64.42 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 121.415 -0.803 . . . . 0.0 110.294 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -67.84 -42.14 81.87 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.369 -0.832 . . . . 0.0 110.528 -179.665 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . 0.27 0.0 OUTLIER -63.35 -28.7 70.18 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.234 -0.916 . . . . 0.0 111.031 -179.205 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . 0.396 0.3 OUTLIER -63.63 -52.12 62.25 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.914 -1.116 . . . . 0.0 109.423 179.569 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.877 ' HA ' HG21 ' A' ' 45' ' ' VAL . 13.0 m-85 -63.03 -26.8 69.02 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.6 -0.688 . . . . 0.0 109.161 178.551 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -84.3 44.41 1.02 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.836 -0.54 . . . . 0.0 109.785 179.128 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.83 -32.86 74.15 Favored 'General case' 0 C--O 1.179 -2.636 0 O-C-N 121.389 -0.819 . . . . 0.0 110.593 -179.654 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.06 -26.4 27.01 Favored 'General case' 1 C--O 1.106 -6.465 0 CA-C-O 116.091 -1.909 . . . . 0.0 110.944 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 108.6 156.07 17.93 Favored Glycine 2 C--O 0.847 -24.049 2 N-CA-C 126.184 5.234 . . . . 0.0 126.184 179.833 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 1.103 ' O ' ' CA ' ' A' ' 34' ' ' GLY . . . 124.17 -143.25 14.7 Favored Glycine 3 C--O 0.557 -42.162 4 CA-C-O 143.759 12.866 . . . . 0.0 113.264 179.902 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 1.006 ' CA ' ' C ' ' A' ' 34' ' ' GLY . . . -136.95 5.99 3.7 Favored Glycine 2 C--N 0.859 -25.946 3 O-C-N 61.846 -36.09 . . . . 0.0 110.475 179.902 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -145.59 162.19 38.04 Favored 'General case' 0 C--N 1.245 -3.962 0 O-C-N 117.68 -3.247 . . . . 0.0 109.516 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.434 ' HB ' ' HB ' ' A' ' 73' ' ' ILE . 4.8 mm -102.33 152.69 5.52 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.75 0 O-C-N 121.424 -0.798 . . . . 0.0 109.063 179.647 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -128.89 177.45 7.09 Favored 'General case' 0 C--N 1.292 -1.904 0 O-C-N 120.559 -1.338 . . . . 0.0 109.852 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.488 HG23 ' HA ' ' A' ' 59' ' ' ASP . 0.3 OUTLIER -67.37 -45.44 76.29 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.372 -0.83 . . . . 0.0 109.954 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . 0.501 0.1 OUTLIER -64.1 -47.41 80.14 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.398 -0.814 . . . . 0.0 109.753 179.83 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.491 ' O ' HG23 ' A' ' 45' ' ' VAL . 15.7 mt-10 -59.84 -33.71 72.14 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.573 -0.704 . . . . 0.0 110.082 179.508 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.51 HD22 HD11 ' A' ' 73' ' ' ILE . 4.1 tp -61.88 -55.47 29.43 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.467 -0.771 . . . . 0.0 109.96 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -55.9 -34.93 62.14 Favored Glycine 0 N--CA 1.495 2.571 0 N-CA-C 110.528 -1.029 . . . . 0.0 110.528 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.6 m -65.98 -41.92 90.52 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.406 -1.055 . . . . 0.0 109.723 179.667 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.877 HG21 ' HA ' ' A' ' 29' ' ' PHE . 43.9 t -70.27 -32.4 50.44 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 O-C-N 121.574 -0.704 . . . . 0.0 109.898 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.452 ' SD ' ' HG3' ' A' ' 53' ' ' PRO . 0.1 OUTLIER -66.51 -48.24 70.4 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.163 -0.96 . . . . 0.0 109.003 179.517 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 7.6 mtp180 -64.25 -21.49 66.6 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.494 -0.754 . . . . 0.0 110.57 179.427 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.527 ' HG2' ' HA ' ' A' ' 45' ' ' VAL 0.538 0.0 OUTLIER -62.62 -35.92 81.11 Favored 'General case' 0 C--O 1.202 -1.431 0 O-C-N 121.321 -0.862 . . . . 0.0 108.871 179.368 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -80.33 -29.84 38.05 Favored 'General case' 0 C--N 1.297 -1.716 0 O-C-N 121.665 -0.647 . . . . 0.0 109.526 178.796 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 126.74 7.3 5.22 Favored Glycine 0 C--O 1.186 -2.897 0 O-C-N 121.2 -0.938 . . . . 0.0 110.861 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.52 146.71 23.46 Favored 'General case' 1 C--O 1.109 -6.332 0 O-C-N 120.242 -1.74 . . . . 0.0 110.037 179.783 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -120.72 79.05 30.8 Favored Pre-proline 1 C--N 1.233 -4.485 0 O-C-N 117.376 -3.328 . . . . 0.0 110.314 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.452 ' HG3' ' SD ' ' A' ' 46' ' ' MET . 49.5 Cg_endo -77.76 171.49 17.29 Favored 'Trans proline' 0 C--N 1.296 -2.186 0 C-N-CA 122.596 2.197 . . . . 0.0 111.328 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.467 ' OG1' ' HB2' ' A' ' 57' ' ' GLU . 1.1 p -98.09 154.34 17.8 Favored 'General case' 0 C--O 1.2 -1.534 0 CA-C-O 121.812 0.815 . . . . 0.0 109.958 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 70.5 mttt -69.33 -48.0 62.74 Favored 'General case' 0 C--N 1.283 -2.319 0 O-C-N 121.104 -0.998 . . . . 0.0 110.27 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -67.01 -29.45 69.28 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.775 -0.578 . . . . 0.0 110.078 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.467 ' HB2' ' OG1' ' A' ' 54' ' ' THR . 26.0 tt0 -70.48 -43.7 69.23 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 179.397 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.0 mt -68.27 -31.91 71.7 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.84 -0.538 . . . . 0.0 109.938 179.487 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.488 ' HA ' HG23 ' A' ' 39' ' ' THR . 20.4 t70 -62.84 -36.68 84.01 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.507 -0.746 . . . . 0.0 109.319 179.168 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.73 -34.15 71.59 Favored 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 179.036 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 27.5 mt -59.74 -33.71 53.15 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.387 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 179.145 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 13.5 mt -81.93 -33.91 12.21 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.45 -0.781 . . . . 0.0 109.383 179.655 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -56.25 -40.61 74.43 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.555 -0.716 . . . . 0.0 110.126 179.592 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.39 -36.93 84.09 Favored 'General case' 0 C--N 1.294 -1.808 0 O-C-N 121.492 -0.755 . . . . 0.0 109.768 179.566 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.478 HG12 ' HG2' ' A' ' 77' ' ' GLU . 58.5 t -70.94 -33.07 50.6 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 O-C-N 121.658 -0.651 . . . . 0.0 110.101 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.517 ' CG ' ' H ' ' A' ' 71' ' ' GLY . 72.6 m-20 -71.54 66.99 0.51 Allowed 'General case' 0 C--O 1.189 -2.102 0 O-C-N 121.353 -0.842 . . . . 0.0 110.568 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -63.52 -42.07 98.46 Favored 'General case' 0 C--N 1.284 -2.279 0 O-C-N 120.53 -1.356 . . . . 0.0 110.329 179.602 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . 0.292 0.6 OUTLIER -81.01 -36.0 31.19 Favored 'General case' 0 C--N 1.281 -2.382 0 O-C-N 121.66 -0.65 . . . . 0.0 109.658 179.72 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 119.08 54.35 0.27 Allowed Glycine 1 C--O 1.163 -4.34 0 C-N-CA 120.459 -0.877 . . . . 0.0 111.588 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.32 -55.88 3.25 Favored 'General case' 1 C--O 1.091 -7.272 0 O-C-N 120.718 -1.46 . . . . 0.0 110.456 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.517 ' H ' ' CG ' ' A' ' 66' ' ' ASP . . . 121.99 -55.63 0.66 Allowed Glycine 1 C--N 1.206 -6.664 1 O-C-N 115.568 -4.458 . . . . 0.0 109.79 -179.786 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 73.7 p -105.96 -179.05 3.83 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.525 -0.985 . . . . 0.0 109.179 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.51 HD11 HD22 ' A' ' 42' ' ' LEU . 3.9 mt -97.55 135.61 31.3 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 O-C-N 120.917 -1.115 . . . . 0.0 109.278 179.662 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -105.07 176.22 5.23 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.788 -0.57 . . . . 0.0 109.737 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -71.05 -48.01 55.23 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.371 -0.83 . . . . 0.0 108.851 178.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -67.4 -22.51 65.54 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.571 -0.706 . . . . 0.0 109.243 178.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.478 ' HG2' HG12 ' A' ' 65' ' ' VAL . 0.0 OUTLIER -72.35 -36.67 68.86 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 106.59 -1.633 . . . . 0.0 106.59 177.413 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -68.32 -35.29 77.59 Favored 'General case' 0 C--N 1.306 -1.284 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 178.339 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.543 ' HB3' HD11 ' A' ' 14' ' ' LEU . 86.7 mt -71.04 -50.07 38.01 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.515 -0.74 . . . . 0.0 109.57 179.618 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.44 HG23 ' HB2' ' A' ' 10' ' ' ALA . 8.2 p -61.97 -30.36 48.43 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.61 -0.681 . . . . 0.0 109.267 179.593 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -66.83 -41.23 87.8 Favored 'General case' 0 C--N 1.308 -1.199 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 178.501 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -71.22 -28.95 64.57 Favored 'General case' 0 N--CA 1.486 1.334 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 178.277 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.2 t -69.7 -29.54 41.49 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.567 0 O-C-N 121.597 -0.689 . . . . 0.0 109.896 179.528 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.01 10.52 40.16 Favored 'General case' 0 C--O 1.177 -2.712 0 O-C-N 121.341 -0.849 . . . . 0.0 110.876 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 . . . . . 0 C--O 1.154 -3.924 0 O-C-N 121.606 -0.683 . . . . 0.0 109.183 179.555 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 . . . . . 1 N--CA 1.215 -12.178 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -62.89 -32.64 73.95 Favored 'General case' 0 C--N 1.259 -3.334 0 O-C-N 120.287 -1.508 . . . . 0.0 111.259 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -60.48 -51.28 70.13 Favored 'General case' 0 C--N 1.278 -2.516 0 C-N-CA 119.997 -0.681 . . . . 0.0 110.177 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 8.7 mp -69.36 -29.91 67.81 Favored 'General case' 0 C--N 1.289 -2.045 0 O-C-N 121.335 -0.853 . . . . 0.0 110.025 179.486 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -63.04 -36.7 84.44 Favored 'General case' 0 C--N 1.297 -1.693 0 O-C-N 121.411 -0.806 . . . . 0.0 110.05 179.549 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -66.7 -49.17 66.94 Favored 'General case' 0 C--N 1.297 -1.694 0 O-C-N 121.461 -0.774 . . . . 0.0 109.272 179.277 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' CYS . . . . . 0.404 ' HA ' HD12 ' A' ' 104' ' ' ILE . 53.0 m -63.82 -36.69 84.73 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.629 -0.67 . . . . 0.0 109.243 178.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.426 ' CE1' ' CD1' ' A' ' 113' ' ' ILE . 75.9 t80 -58.31 -47.27 84.21 Favored 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 179.088 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 4.2 ttt180 -67.56 -35.18 78.54 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.732 -0.605 . . . . 0.0 110.456 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.404 HD12 ' HA ' ' A' ' 101' ' ' CYS . 60.2 mt -60.67 -30.99 48.07 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 O-C-N 121.356 -0.84 . . . . 0.0 110.062 179.727 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.479 ' HB3' HG12 ' A' ' 113' ' ' ILE . 31.3 m-85 -75.44 -37.64 60.24 Favored 'General case' 0 N--CA 1.486 1.365 0 O-C-N 121.15 -0.969 . . . . 0.0 110.262 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -88.94 92.14 9.11 Favored 'General case' 0 N--CA 1.486 1.335 0 O-C-N 121.154 -0.966 . . . . 0.0 109.48 179.618 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 9.3 mtpt -70.35 -13.17 62.04 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.394 -0.816 . . . . 0.0 110.889 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -87.15 -18.73 29.72 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.196 -0.94 . . . . 0.0 110.012 179.753 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . 62.26 53.86 2.75 Favored 'General case' 0 C--O 1.196 -1.731 0 O-C-N 121.311 -0.868 . . . . 0.0 110.545 179.618 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -106.82 -28.89 9.84 Favored 'General case' 0 C--O 1.172 -3.02 0 O-C-N 120.972 -1.08 . . . . 0.0 109.955 179.624 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 135.5 -27.19 3.12 Favored Glycine 0 C--N 1.267 -3.256 0 O-C-N 119.27 -2.144 . . . . 0.0 110.113 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.459 ' CD1' ' HB3' ' A' ' 150' ' ' ASP . 20.7 m-85 -132.62 158.22 42.81 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.122 -1.222 . . . . 0.0 109.753 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.479 HG12 ' HB3' ' A' ' 105' ' ' PHE . 3.3 mp -91.81 132.93 34.91 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.395 -0.816 . . . . 0.0 109.083 179.569 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ASP . . . . . 0.454 ' HA ' ' HG3' ' A' ' 148' ' ' ARG . 17.9 m-20 -96.07 158.5 15.42 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.881 -1.137 . . . . 0.0 109.912 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.776 HG13 ' SD ' ' A' ' 138' ' ' MET . 0.1 OUTLIER -65.3 -37.5 80.29 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.492 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 179.181 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -64.52 -36.94 85.85 Favored 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 179.422 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -65.57 -43.76 88.78 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.443 -0.786 . . . . 0.0 109.613 179.286 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 5.7 tp -69.41 -39.0 78.19 Favored 'General case' 1 C--O 1.108 -6.389 0 O-C-N 121.593 -0.692 . . . . 0.0 110.361 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -44.78 -56.87 5.57 Favored Glycine 1 C--N 1.239 -4.81 0 O-C-N 116.699 -3.75 . . . . 0.0 111.387 -179.754 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -65.93 -36.07 82.35 Favored 'General case' 0 C--N 1.286 -2.195 0 O-C-N 120.968 -1.313 . . . . 0.0 110.499 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 67.0 mt -60.44 -41.41 87.39 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.571 0 O-C-N 121.134 -0.979 . . . . 0.0 109.179 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.525 HD13 HG12 ' A' ' 134' ' ' ILE . 7.7 mt -69.72 -44.56 70.09 Favored 'General case' 0 C--N 1.305 -1.345 0 O-C-N 121.449 -0.782 . . . . 0.0 110.008 179.7 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . 0.308 2.3 mtt180 -70.64 -29.59 65.98 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.411 -0.806 . . . . 0.0 110.511 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -57.19 -26.12 60.13 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.449 -0.782 . . . . 0.0 111.169 -179.592 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . 0.347 0.1 OUTLIER -65.94 -28.2 68.74 Favored 'General case' 0 C--O 1.183 -2.432 0 O-C-N 121.19 -0.944 . . . . 0.0 110.776 -179.88 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 96.72 -9.07 66.22 Favored Glycine 0 C--O 1.171 -3.844 0 O-C-N 120.387 -1.445 . . . . 0.0 112.365 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -67.56 165.64 16.5 Favored 'General case' 1 C--O 0.867 -19.05 0 CA-C-O 127.677 3.608 . . . . 0.0 110.479 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . 0.463 0.3 OUTLIER -97.23 74.56 2.53 Favored 'General case' 1 C--N 1.017 -13.857 3 O-C-N 101.056 -13.527 . . . . 0.0 110.971 -179.713 . . . . . . . . 5 3 . 1 . 001 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 9.7 p -91.44 157.87 2.92 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.936 0 O-C-N 120.535 -1.353 . . . . 0.0 110.306 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -106.63 145.67 14.03 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.728 0 CA-C-O 121.474 0.654 . . . . 0.0 110.164 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . 0.444 9.6 pt-20 -67.32 -29.55 69.16 Favored 'General case' 0 C--N 1.296 -1.756 0 O-C-N 121.106 -0.996 . . . . 0.0 109.685 178.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -64.29 -32.76 74.49 Favored 'General case' 0 C--N 1.298 -1.646 0 O-C-N 121.38 -0.825 . . . . 0.0 108.948 178.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -80.68 -40.29 25.71 Favored 'General case' 0 C--O 1.206 -1.189 0 C-N-CA 120.063 -0.655 . . . . 0.0 109.651 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' ILE . . . . . 0.525 HG12 HD13 ' A' ' 122' ' ' LEU . 75.4 mt -66.52 -48.06 81.7 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.596 0 O-C-N 121.682 -0.636 . . . . 0.0 109.808 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -61.48 -49.28 77.41 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.257 -0.902 . . . . 0.0 110.406 -179.711 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -61.39 -34.43 75.34 Favored 'General case' 0 C--N 1.3 -1.587 0 O-C-N 121.337 -0.852 . . . . 0.0 110.535 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 9.6 tp -60.8 -43.2 98.44 Favored 'General case' 0 C--N 1.306 -1.287 0 O-C-N 121.738 -0.601 . . . . 0.0 109.951 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' MET . . . . . 0.776 ' SD ' HG13 ' A' ' 115' ' ' ILE . 8.6 ttt -68.6 -41.02 80.19 Favored 'General case' 0 C--N 1.299 -1.606 0 CA-C-O 121.56 0.695 . . . . 0.0 110.365 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . 0.47 25.0 pttt -64.58 -26.74 68.54 Favored 'General case' 0 C--N 1.286 -2.183 0 O-C-N 120.615 -1.303 . . . . 0.0 111.695 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -88.16 -28.57 21.14 Favored 'General case' 0 C--N 1.283 -2.305 0 O-C-N 121.084 -1.01 . . . . 0.0 110.138 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 4.1 m -82.16 -21.08 36.73 Favored 'General case' 0 C--O 1.167 -3.241 0 O-C-N 121.676 -0.64 . . . . 0.0 110.434 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.42 101.94 8.44 Favored 'General case' 0 C--O 1.163 -3.456 0 O-C-N 119.556 -1.965 . . . . 0.0 111.448 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 143' ' ' LYS . . . . . 0.442 ' HZ1' ' HE2' ' A' ' 156' ' ' LYS . 0.0 OUTLIER -71.57 -38.56 70.93 Favored 'General case' 1 C--O 1.15 -4.135 0 O-C-N 120.339 -1.475 . . . . 0.0 109.155 -179.902 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -97.86 -15.61 20.14 Favored 'General case' 1 C--O 1.141 -4.645 0 CA-C-O 123.47 1.605 . . . . 0.0 111.735 179.595 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 61.83 76.18 0.38 Allowed 'General case' 1 C--N 1.2 -5.909 0 O-C-N 118.879 -2.388 . . . . 0.0 113.867 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . 0.297 0.7 OUTLIER -108.93 -29.56 8.54 Favored 'General case' 0 C--O 1.169 -3.133 0 O-C-N 121.126 -0.984 . . . . 0.0 109.714 179.785 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 119.65 -40.52 2.2 Favored Glycine 0 C--N 1.26 -3.685 0 O-C-N 119.643 -1.911 . . . . 0.0 110.174 -179.558 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 148' ' ' ARG . . . . . 0.454 ' HG3' ' HA ' ' A' ' 114' ' ' ASP . 2.5 mpt_? -111.07 170.61 7.99 Favored 'General case' 0 N--CA 1.486 1.326 0 O-C-N 121.598 -0.942 . . . . 0.0 110.199 -179.672 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 13.3 mt -107.9 127.16 64.22 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 179.146 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 150' ' ' ASP . . . . . 0.459 ' HB3' ' CD1' ' A' ' 112' ' ' PHE . 0.0 OUTLIER -105.94 172.5 6.77 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.28 -0.887 . . . . 0.0 109.941 -179.726 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 151' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -62.84 -28.11 69.79 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.586 -0.696 . . . . 0.0 110.012 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -61.63 -59.03 5.81 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.467 -0.771 . . . . 0.0 109.236 179.548 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -67.45 -27.8 67.34 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.823 -0.548 . . . . 0.0 109.713 179.303 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -56.8 -32.91 66.17 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.396 -0.815 . . . . 0.0 110.341 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 31.4 mt -58.06 -58.49 8.22 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.471 -0.768 . . . . 0.0 109.465 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 156' ' ' LYS . . . . . 0.442 ' HE2' ' HZ1' ' A' ' 143' ' ' LYS . 0.2 OUTLIER -70.22 -24.87 63.17 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 120.338 -0.545 . . . . 0.0 109.706 179.303 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -62.06 -42.91 99.69 Favored 'General case' 0 C--O 1.185 -2.337 0 O-C-N 121.427 -0.796 . . . . 0.0 110.014 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 158' ' ' MET . . . . . 1.137 ' O ' ' CA ' ' A' ' 158' ' ' MET . 4.0 ttt . . . . . 2 C--O 0.756 -24.915 1 CA-C-O 137.912 8.482 . . . . 0.0 112.262 179.816 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.521 ' O ' ' HG3' ' A' ' 9' ' ' GLU . 0.2 OUTLIER . . . . . 0 C--O 1.207 -1.151 0 CA-C-O 122.049 0.928 . . . . 0.0 109.186 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -69.25 -39.43 78.47 Favored 'General case' 0 C--N 1.278 -2.536 0 C-N-CA 119.545 -0.862 . . . . 0.0 110.276 179.024 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.644 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 4.3 mt-30 -69.69 -40.87 76.08 Favored 'General case' 0 C--N 1.282 -2.351 0 C-N-CA 119.443 -0.903 . . . . 0.0 110.502 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.48 -9.61 43.76 Favored 'General case' 0 C--N 1.281 -2.396 0 C-N-CA 119.373 -0.931 . . . . 0.0 112.008 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.521 ' HG3' ' O ' ' A' ' 5' ' ' ASP 0.279 31.3 mt-10 -106.86 -44.58 4.39 Favored 'General case' 0 C--N 1.278 -2.514 0 O-C-N 120.59 -1.319 . . . . 0.0 109.941 179.696 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.44 ' HB2' HG23 ' A' ' 80' ' ' VAL . . . -65.65 -26.57 67.86 Favored 'General case' 0 C--N 1.285 -2.205 0 C-N-CA 119.312 -0.955 . . . . 0.0 109.475 178.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.644 ' HB2' ' O ' ' A' ' 7' ' ' GLN . 0.0 OUTLIER -68.25 -45.58 72.8 Favored 'General case' 0 C--N 1.289 -2.031 0 CA-C-O 121.871 0.843 . . . . 0.0 109.542 179.096 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.01 -19.19 64.12 Favored 'General case' 0 C--N 1.288 -2.102 0 O-C-N 121.378 -0.826 . . . . 0.0 110.68 179.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -67.24 -44.91 78.28 Favored 'General case' 0 C--N 1.301 -1.541 0 C-N-CA 119.876 -0.73 . . . . 0.0 110.231 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.543 HD11 ' HB3' ' A' ' 79' ' ' LEU . 0.2 OUTLIER -114.06 125.98 54.59 Favored 'General case' 0 C--N 1.297 -1.683 0 O-C-N 121.437 -0.79 . . . . 0.0 109.619 179.868 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 57.4 m -79.51 -176.56 5.35 Favored 'General case' 1 C--O 1.14 -4.658 0 CA-C-O 122.042 0.925 . . . . 0.0 109.574 179.67 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -61.71 -28.52 69.47 Favored 'General case' 0 C--N 1.246 -3.902 0 O-C-N 117.919 -2.988 . . . . 0.0 110.349 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -65.63 -47.69 74.78 Favored 'General case' 0 N--CA 1.485 1.281 0 O-C-N 121.367 -0.833 . . . . 0.0 108.926 179.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.451 ' HB3' ' HB2' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -67.95 -47.16 69.42 Favored 'General case' 0 N--CA 1.487 1.407 0 N-CA-C 109.06 -0.718 . . . . 0.0 109.06 178.932 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.502 ' CG1' HD12 ' A' ' 14' ' ' LEU . 82.0 mt -51.11 -37.82 17.88 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.866 0 O-C-N 121.942 -0.474 . . . . 0.0 110.2 179.672 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.56 -46.93 88.37 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.75 -0.593 . . . . 0.0 109.898 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -64.01 -38.14 89.99 Favored 'General case' 0 C--N 1.306 -1.283 0 O-C-N 121.607 -0.683 . . . . 0.0 109.271 179.251 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -68.11 -29.02 67.84 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.356 -0.84 . . . . 0.0 109.573 179.019 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.6 ttpt -64.65 -29.47 70.48 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.53 -0.731 . . . . 0.0 110.189 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.74 -49.32 78.19 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.401 -0.812 . . . . 0.0 110.182 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.73 -28.04 64.42 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 121.415 -0.803 . . . . 0.0 110.294 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -67.84 -42.14 81.87 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.369 -0.832 . . . . 0.0 110.528 -179.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . 0.27 0.0 OUTLIER -63.35 -28.7 70.18 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.234 -0.916 . . . . 0.0 111.031 -179.205 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . 0.396 0.3 OUTLIER -63.63 -52.12 62.25 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.914 -1.116 . . . . 0.0 109.423 179.569 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.877 ' HA ' HG21 ' A' ' 45' ' ' VAL . 13.0 m-85 -63.03 -26.8 69.02 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.6 -0.688 . . . . 0.0 109.161 178.551 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -84.3 44.41 1.02 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.836 -0.54 . . . . 0.0 109.785 179.128 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.83 -32.86 74.15 Favored 'General case' 0 C--O 1.179 -2.636 0 O-C-N 121.389 -0.819 . . . . 0.0 110.593 -179.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.06 -26.4 27.01 Favored 'General case' 1 C--O 1.106 -6.465 0 CA-C-O 116.091 -1.909 . . . . 0.0 110.944 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 108.6 156.07 17.93 Favored Glycine 2 C--O 0.847 -24.049 2 N-CA-C 126.184 5.234 . . . . 0.0 126.184 179.833 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 1.103 ' O ' ' CA ' ' A' ' 34' ' ' GLY . . . 124.17 -143.25 14.7 Favored Glycine 3 C--O 0.557 -42.162 4 CA-C-O 143.759 12.866 . . . . 0.0 113.264 179.902 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 1.006 ' CA ' ' C ' ' A' ' 34' ' ' GLY . . . -136.95 5.99 3.7 Favored Glycine 2 C--N 0.859 -25.946 3 O-C-N 61.846 -36.09 . . . . 0.0 110.475 179.902 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -145.59 162.19 38.04 Favored 'General case' 0 C--N 1.245 -3.962 0 O-C-N 117.68 -3.247 . . . . 0.0 109.516 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.434 ' HB ' ' HB ' ' A' ' 73' ' ' ILE . 4.8 mm -102.33 152.69 5.52 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.75 0 O-C-N 121.424 -0.798 . . . . 0.0 109.063 179.647 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -128.89 177.45 7.09 Favored 'General case' 0 C--N 1.292 -1.904 0 O-C-N 120.559 -1.338 . . . . 0.0 109.852 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.488 HG23 ' HA ' ' A' ' 59' ' ' ASP . 0.3 OUTLIER -67.37 -45.44 76.29 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.372 -0.83 . . . . 0.0 109.954 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . 0.501 0.1 OUTLIER -64.1 -47.41 80.14 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.398 -0.814 . . . . 0.0 109.753 179.83 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.491 ' O ' HG23 ' A' ' 45' ' ' VAL . 15.7 mt-10 -59.84 -33.71 72.14 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.573 -0.704 . . . . 0.0 110.082 179.508 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.51 HD22 HD11 ' A' ' 73' ' ' ILE . 4.1 tp -61.88 -55.47 29.43 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.467 -0.771 . . . . 0.0 109.96 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -55.9 -34.93 62.14 Favored Glycine 0 N--CA 1.495 2.571 0 N-CA-C 110.528 -1.029 . . . . 0.0 110.528 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.6 m -65.98 -41.92 90.52 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.406 -1.055 . . . . 0.0 109.723 179.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.877 HG21 ' HA ' ' A' ' 29' ' ' PHE . 43.9 t -70.27 -32.4 50.44 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 O-C-N 121.574 -0.704 . . . . 0.0 109.898 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.452 ' SD ' ' HG3' ' A' ' 53' ' ' PRO . 0.1 OUTLIER -66.51 -48.24 70.4 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.163 -0.96 . . . . 0.0 109.003 179.517 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 7.6 mtp180 -64.25 -21.49 66.6 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.494 -0.754 . . . . 0.0 110.57 179.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.527 ' HG2' ' HA ' ' A' ' 45' ' ' VAL 0.538 0.0 OUTLIER -62.62 -35.92 81.11 Favored 'General case' 0 C--O 1.202 -1.431 0 O-C-N 121.321 -0.862 . . . . 0.0 108.871 179.368 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -80.33 -29.84 38.05 Favored 'General case' 0 C--N 1.297 -1.716 0 O-C-N 121.665 -0.647 . . . . 0.0 109.526 178.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 126.74 7.3 5.22 Favored Glycine 0 C--O 1.186 -2.897 0 O-C-N 121.2 -0.938 . . . . 0.0 110.861 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.52 146.71 23.46 Favored 'General case' 1 C--O 1.109 -6.332 0 O-C-N 120.242 -1.74 . . . . 0.0 110.037 179.783 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -120.72 79.05 30.8 Favored Pre-proline 1 C--N 1.233 -4.485 0 O-C-N 117.376 -3.328 . . . . 0.0 110.314 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.452 ' HG3' ' SD ' ' A' ' 46' ' ' MET . 49.5 Cg_endo -77.76 171.49 17.29 Favored 'Trans proline' 0 C--N 1.296 -2.186 0 C-N-CA 122.596 2.197 . . . . 0.0 111.328 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.467 ' OG1' ' HB2' ' A' ' 57' ' ' GLU . 1.1 p -98.09 154.34 17.8 Favored 'General case' 0 C--O 1.2 -1.534 0 CA-C-O 121.812 0.815 . . . . 0.0 109.958 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 70.5 mttt -69.33 -48.0 62.74 Favored 'General case' 0 C--N 1.283 -2.319 0 O-C-N 121.104 -0.998 . . . . 0.0 110.27 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -67.01 -29.45 69.28 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.775 -0.578 . . . . 0.0 110.078 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.467 ' HB2' ' OG1' ' A' ' 54' ' ' THR . 26.0 tt0 -70.48 -43.7 69.23 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 179.397 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.0 mt -68.27 -31.91 71.7 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.84 -0.538 . . . . 0.0 109.938 179.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.488 ' HA ' HG23 ' A' ' 39' ' ' THR . 20.4 t70 -62.84 -36.68 84.01 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.507 -0.746 . . . . 0.0 109.319 179.168 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.73 -34.15 71.59 Favored 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 179.036 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 27.5 mt -59.74 -33.71 53.15 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.387 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 179.145 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 13.5 mt -81.93 -33.91 12.21 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.45 -0.781 . . . . 0.0 109.383 179.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -56.25 -40.61 74.43 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.555 -0.716 . . . . 0.0 110.126 179.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.39 -36.93 84.09 Favored 'General case' 0 C--N 1.294 -1.808 0 O-C-N 121.492 -0.755 . . . . 0.0 109.768 179.566 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.478 HG12 ' HG2' ' A' ' 77' ' ' GLU . 58.5 t -70.94 -33.07 50.6 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 O-C-N 121.658 -0.651 . . . . 0.0 110.101 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.517 ' CG ' ' H ' ' A' ' 71' ' ' GLY . 72.6 m-20 -71.54 66.99 0.51 Allowed 'General case' 0 C--O 1.189 -2.102 0 O-C-N 121.353 -0.842 . . . . 0.0 110.568 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -63.52 -42.07 98.46 Favored 'General case' 0 C--N 1.284 -2.279 0 O-C-N 120.53 -1.356 . . . . 0.0 110.329 179.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . 0.292 0.6 OUTLIER -81.01 -36.0 31.19 Favored 'General case' 0 C--N 1.281 -2.382 0 O-C-N 121.66 -0.65 . . . . 0.0 109.658 179.72 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 119.08 54.35 0.27 Allowed Glycine 1 C--O 1.163 -4.34 0 C-N-CA 120.459 -0.877 . . . . 0.0 111.588 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.32 -55.88 3.25 Favored 'General case' 1 C--O 1.091 -7.272 0 O-C-N 120.718 -1.46 . . . . 0.0 110.456 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.517 ' H ' ' CG ' ' A' ' 66' ' ' ASP . . . 121.99 -55.63 0.66 Allowed Glycine 1 C--N 1.206 -6.664 1 O-C-N 115.568 -4.458 . . . . 0.0 109.79 -179.786 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 73.7 p -105.96 -179.05 3.83 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.525 -0.985 . . . . 0.0 109.179 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.51 HD11 HD22 ' A' ' 42' ' ' LEU . 3.9 mt -97.55 135.61 31.3 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 O-C-N 120.917 -1.115 . . . . 0.0 109.278 179.662 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -105.07 176.22 5.23 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.788 -0.57 . . . . 0.0 109.737 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -71.05 -48.01 55.23 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.371 -0.83 . . . . 0.0 108.851 178.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -67.4 -22.51 65.54 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.571 -0.706 . . . . 0.0 109.243 178.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.478 ' HG2' HG12 ' A' ' 65' ' ' VAL . 0.0 OUTLIER -72.35 -36.67 68.86 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 106.59 -1.633 . . . . 0.0 106.59 177.413 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -68.32 -35.29 77.59 Favored 'General case' 0 C--N 1.306 -1.284 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 178.339 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.543 ' HB3' HD11 ' A' ' 14' ' ' LEU . 86.7 mt -71.04 -50.07 38.01 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.515 -0.74 . . . . 0.0 109.57 179.618 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.44 HG23 ' HB2' ' A' ' 10' ' ' ALA . 8.2 p -61.97 -30.36 48.43 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.61 -0.681 . . . . 0.0 109.267 179.593 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -66.83 -41.23 87.8 Favored 'General case' 0 C--N 1.308 -1.199 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 178.501 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -71.22 -28.95 64.57 Favored 'General case' 0 N--CA 1.486 1.334 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 178.277 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.2 t -69.7 -29.54 41.49 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.567 0 O-C-N 121.597 -0.689 . . . . 0.0 109.896 179.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.01 10.52 40.16 Favored 'General case' 0 C--O 1.177 -2.712 0 O-C-N 121.341 -0.849 . . . . 0.0 110.876 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 . . . . . 0 C--O 1.154 -3.924 0 O-C-N 121.606 -0.683 . . . . 0.0 109.183 179.555 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 . . . . . 1 N--CA 1.215 -12.178 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -62.89 -32.64 73.95 Favored 'General case' 0 C--N 1.259 -3.334 0 O-C-N 120.287 -1.508 . . . . 0.0 111.259 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -60.48 -51.28 70.13 Favored 'General case' 0 C--N 1.278 -2.516 0 C-N-CA 119.997 -0.681 . . . . 0.0 110.177 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 8.7 mp -69.36 -29.91 67.81 Favored 'General case' 0 C--N 1.289 -2.045 0 O-C-N 121.335 -0.853 . . . . 0.0 110.025 179.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -63.04 -36.7 84.44 Favored 'General case' 0 C--N 1.297 -1.693 0 O-C-N 121.411 -0.806 . . . . 0.0 110.05 179.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -66.7 -49.17 66.94 Favored 'General case' 0 C--N 1.297 -1.694 0 O-C-N 121.461 -0.774 . . . . 0.0 109.272 179.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . 0.404 ' HA ' HD12 ' A' ' 104' ' ' ILE . 53.0 m -63.82 -36.69 84.73 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.629 -0.67 . . . . 0.0 109.243 178.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.426 ' CE1' ' CD1' ' A' ' 113' ' ' ILE . 75.9 t80 -58.31 -47.27 84.21 Favored 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 179.088 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 4.2 ttt180 -67.56 -35.18 78.54 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.732 -0.605 . . . . 0.0 110.456 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.404 HD12 ' HA ' ' A' ' 101' ' ' CYS . 60.2 mt -60.67 -30.99 48.07 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 O-C-N 121.356 -0.84 . . . . 0.0 110.062 179.727 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.479 ' HB3' HG12 ' A' ' 113' ' ' ILE . 31.3 m-85 -75.44 -37.64 60.24 Favored 'General case' 0 N--CA 1.486 1.365 0 O-C-N 121.15 -0.969 . . . . 0.0 110.262 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -88.94 92.14 9.11 Favored 'General case' 0 N--CA 1.486 1.335 0 O-C-N 121.154 -0.966 . . . . 0.0 109.48 179.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 9.3 mtpt -70.35 -13.17 62.04 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.394 -0.816 . . . . 0.0 110.889 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -87.15 -18.73 29.72 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.196 -0.94 . . . . 0.0 110.012 179.753 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . 62.26 53.86 2.75 Favored 'General case' 0 C--O 1.196 -1.731 0 O-C-N 121.311 -0.868 . . . . 0.0 110.545 179.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -106.82 -28.89 9.84 Favored 'General case' 0 C--O 1.172 -3.02 0 O-C-N 120.972 -1.08 . . . . 0.0 109.955 179.624 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 135.5 -27.19 3.12 Favored Glycine 0 C--N 1.267 -3.256 0 O-C-N 119.27 -2.144 . . . . 0.0 110.113 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.459 ' CD1' ' HB3' ' A' ' 150' ' ' ASP . 20.7 m-85 -132.62 158.22 42.81 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.122 -1.222 . . . . 0.0 109.753 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.479 HG12 ' HB3' ' A' ' 105' ' ' PHE . 3.3 mp -91.81 132.93 34.91 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.395 -0.816 . . . . 0.0 109.083 179.569 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . 0.454 ' HA ' ' HG3' ' A' ' 148' ' ' ARG . 17.9 m-20 -96.07 158.5 15.42 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.881 -1.137 . . . . 0.0 109.912 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.776 HG13 ' SD ' ' A' ' 138' ' ' MET . 0.1 OUTLIER -65.3 -37.5 80.29 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.492 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 179.181 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -64.52 -36.94 85.85 Favored 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 179.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -65.57 -43.76 88.78 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.443 -0.786 . . . . 0.0 109.613 179.286 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 5.7 tp -69.41 -39.0 78.19 Favored 'General case' 1 C--O 1.108 -6.389 0 O-C-N 121.593 -0.692 . . . . 0.0 110.361 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -44.78 -56.87 5.57 Favored Glycine 1 C--N 1.239 -4.81 0 O-C-N 116.699 -3.75 . . . . 0.0 111.387 -179.754 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -65.93 -36.07 82.35 Favored 'General case' 0 C--N 1.286 -2.195 0 O-C-N 120.968 -1.313 . . . . 0.0 110.499 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 67.0 mt -60.44 -41.41 87.39 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.571 0 O-C-N 121.134 -0.979 . . . . 0.0 109.179 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.525 HD13 HG12 ' A' ' 134' ' ' ILE . 7.7 mt -69.72 -44.56 70.09 Favored 'General case' 0 C--N 1.305 -1.345 0 O-C-N 121.449 -0.782 . . . . 0.0 110.008 179.7 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . 0.308 2.3 mtt180 -70.64 -29.59 65.98 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.411 -0.806 . . . . 0.0 110.511 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -57.19 -26.12 60.13 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.449 -0.782 . . . . 0.0 111.169 -179.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . 0.347 0.1 OUTLIER -65.94 -28.2 68.74 Favored 'General case' 0 C--O 1.183 -2.432 0 O-C-N 121.19 -0.944 . . . . 0.0 110.776 -179.88 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 96.72 -9.07 66.22 Favored Glycine 0 C--O 1.171 -3.844 0 O-C-N 120.387 -1.445 . . . . 0.0 112.365 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -67.56 165.64 16.5 Favored 'General case' 1 C--O 0.867 -19.05 0 CA-C-O 127.677 3.608 . . . . 0.0 110.479 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . 0.463 0.3 OUTLIER -97.23 74.56 2.53 Favored 'General case' 1 C--N 1.017 -13.857 3 O-C-N 101.056 -13.527 . . . . 0.0 110.971 -179.713 . . . . . . . . 5 3 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 9.7 p -91.44 157.87 2.92 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.936 0 O-C-N 120.535 -1.353 . . . . 0.0 110.306 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -106.63 145.67 14.03 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.728 0 CA-C-O 121.474 0.654 . . . . 0.0 110.164 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . 0.444 9.6 pt-20 -67.32 -29.55 69.16 Favored 'General case' 0 C--N 1.296 -1.756 0 O-C-N 121.106 -0.996 . . . . 0.0 109.685 178.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -64.29 -32.76 74.49 Favored 'General case' 0 C--N 1.298 -1.646 0 O-C-N 121.38 -0.825 . . . . 0.0 108.948 178.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -80.68 -40.29 25.71 Favored 'General case' 0 C--O 1.206 -1.189 0 C-N-CA 120.063 -0.655 . . . . 0.0 109.651 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . 0.525 HG12 HD13 ' A' ' 122' ' ' LEU . 75.4 mt -66.52 -48.06 81.7 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.596 0 O-C-N 121.682 -0.636 . . . . 0.0 109.808 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -61.48 -49.28 77.41 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.257 -0.902 . . . . 0.0 110.406 -179.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -61.39 -34.43 75.34 Favored 'General case' 0 C--N 1.3 -1.587 0 O-C-N 121.337 -0.852 . . . . 0.0 110.535 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 9.6 tp -60.8 -43.2 98.44 Favored 'General case' 0 C--N 1.306 -1.287 0 O-C-N 121.738 -0.601 . . . . 0.0 109.951 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . 0.776 ' SD ' HG13 ' A' ' 115' ' ' ILE . 8.6 ttt -68.6 -41.02 80.19 Favored 'General case' 0 C--N 1.299 -1.606 0 CA-C-O 121.56 0.695 . . . . 0.0 110.365 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . 0.47 25.0 pttt -64.58 -26.74 68.54 Favored 'General case' 0 C--N 1.286 -2.183 0 O-C-N 120.615 -1.303 . . . . 0.0 111.695 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -88.16 -28.57 21.14 Favored 'General case' 0 C--N 1.283 -2.305 0 O-C-N 121.084 -1.01 . . . . 0.0 110.138 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 4.1 m -82.16 -21.08 36.73 Favored 'General case' 0 C--O 1.167 -3.241 0 O-C-N 121.676 -0.64 . . . . 0.0 110.434 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.42 101.94 8.44 Favored 'General case' 0 C--O 1.163 -3.456 0 O-C-N 119.556 -1.965 . . . . 0.0 111.448 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . 0.442 ' HZ1' ' HE2' ' A' ' 156' ' ' LYS . 0.0 OUTLIER -71.57 -38.56 70.93 Favored 'General case' 1 C--O 1.15 -4.135 0 O-C-N 120.339 -1.475 . . . . 0.0 109.155 -179.902 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -97.86 -15.61 20.14 Favored 'General case' 1 C--O 1.141 -4.645 0 CA-C-O 123.47 1.605 . . . . 0.0 111.735 179.595 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 61.83 76.18 0.38 Allowed 'General case' 1 C--N 1.2 -5.909 0 O-C-N 118.879 -2.388 . . . . 0.0 113.867 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . 0.297 0.7 OUTLIER -108.93 -29.56 8.54 Favored 'General case' 0 C--O 1.169 -3.133 0 O-C-N 121.126 -0.984 . . . . 0.0 109.714 179.785 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 119.65 -40.52 2.2 Favored Glycine 0 C--N 1.26 -3.685 0 O-C-N 119.643 -1.911 . . . . 0.0 110.174 -179.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' ARG . . . . . 0.454 ' HG3' ' HA ' ' A' ' 114' ' ' ASP . 2.5 mpt_? -111.07 170.61 7.99 Favored 'General case' 0 N--CA 1.486 1.326 0 O-C-N 121.598 -0.942 . . . . 0.0 110.199 -179.672 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 13.3 mt -107.9 127.16 64.22 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 179.146 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . 0.459 ' HB3' ' CD1' ' A' ' 112' ' ' PHE . 0.0 OUTLIER -105.94 172.5 6.77 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.28 -0.887 . . . . 0.0 109.941 -179.726 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -62.84 -28.11 69.79 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.586 -0.696 . . . . 0.0 110.012 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -61.63 -59.03 5.81 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.467 -0.771 . . . . 0.0 109.236 179.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -67.45 -27.8 67.34 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.823 -0.548 . . . . 0.0 109.713 179.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -56.8 -32.91 66.17 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.396 -0.815 . . . . 0.0 110.341 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 31.4 mt -58.06 -58.49 8.22 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.471 -0.768 . . . . 0.0 109.465 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' LYS . . . . . 0.442 ' HE2' ' HZ1' ' A' ' 143' ' ' LYS . 0.2 OUTLIER -70.22 -24.87 63.17 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 120.338 -0.545 . . . . 0.0 109.706 179.303 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -62.06 -42.91 99.69 Favored 'General case' 0 C--O 1.185 -2.337 0 O-C-N 121.427 -0.796 . . . . 0.0 110.014 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 158' ' ' MET . . . . . 1.137 ' O ' ' CA ' ' A' ' 158' ' ' MET . 4.0 ttt . . . . . 2 C--O 0.756 -24.915 1 CA-C-O 137.912 8.482 . . . . 0.0 112.262 179.816 . . . . . . . . 3 2 . 1 stop_ save_